smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)[C@@H](O)C1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC001168310893 749909834 /nfs/dbraw/zinc/90/98/34/749909834.db2.gz WERGYFXONUUXDL-NSHDSACASA-N 1 1 312.326 0.074 20 5 DCBDMO CN(C)c1ccccc1C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126932375 750143459 /nfs/dbraw/zinc/14/34/59/750143459.db2.gz VCHKEDSANVYNDV-TZMCWYRMSA-N 1 1 306.366 0.624 20 5 DCBDMO COc1cc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])sn1 ZINC001126936411 750148323 /nfs/dbraw/zinc/14/83/23/750148323.db2.gz GJZMYSXCLLQTEJ-RKDXNWHRSA-N 1 1 300.340 0.023 20 5 DCBDMO COc1ccccc1OCC[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126949699 750162545 /nfs/dbraw/zinc/16/25/45/750162545.db2.gz WONHHDMVRQRWSW-VXGBXAGGSA-N 1 1 323.349 0.445 20 5 DCBDMO Cn1cc(CC[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC001086082832 759690856 /nfs/dbraw/zinc/69/08/56/759690856.db2.gz FHQKNZCBISFSBR-XJFOESAGSA-N 1 1 321.381 0.112 20 5 DCBDMO Cc1nocc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086082892 759691512 /nfs/dbraw/zinc/69/15/12/759691512.db2.gz GYLFPVLFSBEFDA-GWNIPJSYSA-N 1 1 308.338 0.633 20 5 DCBDMO COc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)on1 ZINC001086084275 759694212 /nfs/dbraw/zinc/69/42/12/759694212.db2.gz KMEHPXVJALWGHI-RBLKWDMZSA-N 1 1 324.337 0.333 20 5 DCBDMO Cc1nocc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086363190 760101163 /nfs/dbraw/zinc/10/11/63/760101163.db2.gz GYLFPVLFSBEFDA-OJAKKHQRSA-N 1 1 308.338 0.633 20 5 DCBDMO Cn1ccnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086363268 760101435 /nfs/dbraw/zinc/10/14/35/760101435.db2.gz KNNUWWFOCCUOKG-DDHJBXDOSA-N 1 1 307.354 0.070 20 5 DCBDMO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169046271 760561647 /nfs/dbraw/zinc/56/16/47/760561647.db2.gz KFIWAKAPYSHGTL-SRVKXCTJSA-N 1 1 313.354 0.185 20 5 DCBDMO [NH3+][C@@H](CO)Cc1cncn1-c1ccc2[nH]cnc2c1[N+](=O)[O-] ZINC001169073732 760573446 /nfs/dbraw/zinc/57/34/46/760573446.db2.gz BAHYVZRVBUBGPV-MRVPVSSYSA-N 1 1 302.294 0.519 20 5 DCBDMO Cc1coc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)c1 ZINC001132640898 764556210 /nfs/dbraw/zinc/55/62/10/764556210.db2.gz LFEQIZBEJRSLHP-UHFFFAOYSA-N 1 1 307.310 0.749 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CC1=CCOCC1 ZINC001133398729 764950234 /nfs/dbraw/zinc/95/02/34/764950234.db2.gz LEOFJYQZOKBQJF-UHFFFAOYSA-N 1 1 323.353 0.271 20 5 DCBDMO O=C(Cc1nnc[nH]1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001170717464 765296964 /nfs/dbraw/zinc/29/69/64/765296964.db2.gz QTNFYNCBXKLXMP-UHFFFAOYSA-N 1 1 318.337 0.552 20 5 DCBDMO Cc1nn(C)c(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC001120071351 766894183 /nfs/dbraw/zinc/89/41/83/766894183.db2.gz SQKVQBIKQDDWGF-RYUDHWBXSA-N 1 1 309.370 0.672 20 5 DCBDMO C[C@H](C[N+](C)(C)C)Oc1[nH]c(=O)nc2ccc(C(N)=O)cc21 ZINC001234515082 769681071 /nfs/dbraw/zinc/68/10/71/769681071.db2.gz CVMLGFKGYVEABE-SECBINFHSA-O 1 1 305.358 0.908 20 5 DCBDMO CNC(=O)NC[C@H]1CCCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC001175362509 769889772 /nfs/dbraw/zinc/88/97/72/769889772.db2.gz WAFSBKQKKJUDOE-GFCCVEGCSA-N 1 1 324.385 0.883 20 5 DCBDMO COc1cc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])sn1 ZINC001157767694 771666497 /nfs/dbraw/zinc/66/64/97/771666497.db2.gz RQZJASFZSKJFRB-NXEZZACHSA-N 1 1 314.367 0.413 20 5 DCBDMO Cc1c(CC[NH3+])c(=O)[nH]n1-c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001159293851 771891118 /nfs/dbraw/zinc/89/11/18/771891118.db2.gz QCZINFARYGHIIB-UHFFFAOYSA-N 1 1 308.254 0.599 20 5 DCBDMO O=C1C[NH2+]CCN1CCNc1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001161018812 772150171 /nfs/dbraw/zinc/15/01/71/772150171.db2.gz CWJJXGANVWXDSM-UHFFFAOYSA-N 1 1 315.333 0.987 20 5 DCBDMO Cc1ncc([N+](=O)[O-])c(N2CC([C@@H]([NH3+])C(=O)OC(C)(C)C)C2)n1 ZINC001163117471 772465837 /nfs/dbraw/zinc/46/58/37/772465837.db2.gz HNBYQUOOCDCYTF-LLVKDONJSA-N 1 1 323.353 0.798 20 5 DCBDMO CNS(=O)(=O)c1ccc(NC[C@@H]2CC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC001164191161 772623482 /nfs/dbraw/zinc/62/34/82/772623482.db2.gz ZVTMOOMIUWVERO-VIFPVBQESA-N 1 1 314.367 0.619 20 5 DCBDMO CNS(=O)(=O)c1ccc(NC[C@@H]2CC[N@H+]2C)c([N+](=O)[O-])c1 ZINC001164191161 772623487 /nfs/dbraw/zinc/62/34/87/772623487.db2.gz ZVTMOOMIUWVERO-VIFPVBQESA-N 1 1 314.367 0.619 20 5 DCBDMO COc1nc(N2CCC(F)(F)[C@H]([NH3+])C2)nc(OC)c1[N+](=O)[O-] ZINC001164322488 772646035 /nfs/dbraw/zinc/64/60/35/772646035.db2.gz BAAAODPFIOALOX-ZCFIWIBFSA-N 1 1 319.268 0.575 20 5 DCBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)n1 ZINC001165151475 772701767 /nfs/dbraw/zinc/70/17/67/772701767.db2.gz RQJSXBWSULUZRY-PHIMTYICSA-N 1 1 320.353 0.649 20 5 DCBDMO NC(=O)[C@@H]1CN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001166723689 772849997 /nfs/dbraw/zinc/84/99/97/772849997.db2.gz IDYGZWOHBPMHGK-LURJTMIESA-N 1 1 320.136 0.560 20 5 DCBDMO NC(=O)[C@H]1CN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001166723690 772850132 /nfs/dbraw/zinc/85/01/32/772850132.db2.gz IDYGZWOHBPMHGK-ZCFIWIBFSA-N 1 1 320.136 0.560 20 5 DCBDMO Cn1ccc(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC001203582969 772914572 /nfs/dbraw/zinc/91/45/72/772914572.db2.gz MMNKJGZPNWEFNK-ZIAGYGMSSA-N 1 1 306.322 0.512 20 5 DCBDMO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2C[C@H](O)CC[NH2+]2)n1 ZINC001247513299 945559093 /nfs/dbraw/zinc/55/90/93/945559093.db2.gz NKPYRTSVXFUXOY-HTQZYQBOSA-N 1 1 309.257 0.964 20 5 DCBDMO C[N@H+](CC(=O)N1CCOCC1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254596368 946415395 /nfs/dbraw/zinc/41/53/95/946415395.db2.gz CSCQNCZYCDVXRT-OAHLLOKOSA-N 1 1 319.361 0.853 20 5 DCBDMO C[N@@H+](CC(=O)N1CCOCC1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254596368 946415401 /nfs/dbraw/zinc/41/54/01/946415401.db2.gz CSCQNCZYCDVXRT-OAHLLOKOSA-N 1 1 319.361 0.853 20 5 DCBDMO CNC(=O)C[NH+]1CCC(Nc2c(C)cncc2[N+](=O)[O-])CC1 ZINC001322468962 946688874 /nfs/dbraw/zinc/68/88/74/946688874.db2.gz HJQBOMQCYCOAPJ-UHFFFAOYSA-N 1 1 307.354 0.342 20 5 DCBDMO Cc1cc(C)n(CC[NH2+]CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001322505694 946702549 /nfs/dbraw/zinc/70/25/49/946702549.db2.gz PEKQMVLASQEWLN-ZIAGYGMSSA-N 1 1 323.397 0.603 20 5 DCBDMO Cc1nnc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n1C ZINC001329140875 949383981 /nfs/dbraw/zinc/38/39/81/949383981.db2.gz IKZXYRRLIXGJPL-NSHDSACASA-N 1 1 321.337 0.561 20 5 DCBDMO C[NH+]1CCN(C2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 ZINC001330897134 950745065 /nfs/dbraw/zinc/74/50/65/950745065.db2.gz QVDCDXSQCXNCEU-UHFFFAOYSA-N 1 1 322.369 0.170 20 5 DCBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001334938028 952415774 /nfs/dbraw/zinc/41/57/74/952415774.db2.gz XYEPREWLDZZVIJ-PWSUYJOCSA-N 1 1 320.349 0.355 20 5 DCBDMO CC(C)Cn1c(C[N+](=O)[O-])nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001343632217 953360289 /nfs/dbraw/zinc/36/02/89/953360289.db2.gz WZQYYYKXAFACKK-LBPRGKRZSA-N 1 1 324.385 0.232 20 5 DCBDMO CC(C)Cn1c(C[N+](=O)[O-])nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001343632217 953360294 /nfs/dbraw/zinc/36/02/94/953360294.db2.gz WZQYYYKXAFACKK-LBPRGKRZSA-N 1 1 324.385 0.232 20 5 DCBDMO Cn1cc([N+](=O)[O-])c(C(=O)OC[C@@H]2CC[N@H+]2C2CCOCC2)n1 ZINC001344932872 953562004 /nfs/dbraw/zinc/56/20/04/953562004.db2.gz WPBCGEVPYLNJSB-NSHDSACASA-N 1 1 324.337 0.738 20 5 DCBDMO C[NH+]1CCN(C(=O)CNC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC001348043366 954194220 /nfs/dbraw/zinc/19/42/20/954194220.db2.gz PYNJLVHYWFUKHS-UHFFFAOYSA-N 1 1 324.312 0.238 20 5 DCBDMO C[NH+]1CCN(C2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CC1 ZINC001348971396 954553000 /nfs/dbraw/zinc/55/30/00/954553000.db2.gz VBBXGQTXHNALKW-UHFFFAOYSA-N 1 1 321.381 0.775 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCc3[nH]cnc3C2)c1 ZINC001348973503 954553285 /nfs/dbraw/zinc/55/32/85/954553285.db2.gz SCZVUJJTFIYHMF-GXSJLCMTSA-N 1 1 306.326 0.022 20 5 DCBDMO Cc1ccc(CNC(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)cc1[N+](=O)[O-] ZINC001348992780 954557306 /nfs/dbraw/zinc/55/73/06/954557306.db2.gz JSYALCJSXTVORZ-WFASDCNBSA-N 1 1 318.377 0.908 20 5 DCBDMO Cc1ccc(CNC(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)cc1[N+](=O)[O-] ZINC001348992777 954557848 /nfs/dbraw/zinc/55/78/48/954557848.db2.gz JSYALCJSXTVORZ-DOMZBBRYSA-N 1 1 318.377 0.908 20 5 DCBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001349617368 954817471 /nfs/dbraw/zinc/81/74/71/954817471.db2.gz CKUGHLUUIZYESP-UHFFFAOYSA-N 1 1 320.349 0.407 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001350881178 955211304 /nfs/dbraw/zinc/21/13/04/955211304.db2.gz NQNLWAFBPUVBDR-UHFFFAOYSA-N 1 1 320.349 0.407 20 5 DCBDMO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC001297229111 958193472 /nfs/dbraw/zinc/19/34/72/958193472.db2.gz MOZKRQWQAGVREH-UHFFFAOYSA-N 1 1 316.321 0.863 20 5 DCBDMO C[C@@H]1C[N@@H+](CCO)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001307836070 960159775 /nfs/dbraw/zinc/15/97/75/960159775.db2.gz CHEQCXQHFSURLY-DOMZBBRYSA-N 1 1 309.366 0.627 20 5 DCBDMO CC[N@@H+](CCO)CCNCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001308709283 960181034 /nfs/dbraw/zinc/18/10/34/960181034.db2.gz MUDIFLFKDBRHGP-UHFFFAOYSA-N 1 1 313.354 0.713 20 5 DCBDMO CCN(CCO)CC[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001308709283 960181037 /nfs/dbraw/zinc/18/10/37/960181037.db2.gz MUDIFLFKDBRHGP-UHFFFAOYSA-N 1 1 313.354 0.713 20 5 DCBDMO C[N@H+](CCNC(=O)CCNC(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC001492849128 995473136 /nfs/dbraw/zinc/47/31/36/995473136.db2.gz JORCJXGBNSHBQJ-UHFFFAOYSA-N 1 1 323.353 0.201 20 5 DCBDMO C[N@@H+](CCNC(=O)CCNC(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC001492849128 995473141 /nfs/dbraw/zinc/47/31/41/995473141.db2.gz JORCJXGBNSHBQJ-UHFFFAOYSA-N 1 1 323.353 0.201 20 5 DCBDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H]1C ZINC001466481235 1016081171 /nfs/dbraw/zinc/08/11/71/1016081171.db2.gz XTRZZABDNIZRNG-JTQLQIEISA-N 1 1 324.337 0.632 20 5 DCBDMO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H]1C ZINC001466481235 1016081182 /nfs/dbraw/zinc/08/11/82/1016081182.db2.gz XTRZZABDNIZRNG-JTQLQIEISA-N 1 1 324.337 0.632 20 5 DCBDMO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001469717019 1016359718 /nfs/dbraw/zinc/35/97/18/1016359718.db2.gz PZISCVGHTOXNKN-WDEREUQCSA-N 1 1 323.353 0.547 20 5 DCBDMO O=[N+]([O-])c1cccc(Br)c1C[NH2+]C[C@@H](O)CO ZINC001474292013 1017011629 /nfs/dbraw/zinc/01/16/29/1017011629.db2.gz RPZMMGUZNXPHNV-SSDOTTSWSA-N 1 1 305.128 0.800 20 5 DCBDMO C[N@@H+](CCO)CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC001558359414 1012351219 /nfs/dbraw/zinc/35/12/19/1012351219.db2.gz YWJHLLNYNLPHIY-UHFFFAOYSA-N 1 1 306.322 0.730 20 5 DCBDMO O=[N+]([O-])c1ccc(NC[C@]2(CO)COCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001559270943 1012414923 /nfs/dbraw/zinc/41/49/23/1012414923.db2.gz MDIKCYJZEHYMPH-LBPRGKRZSA-N 1 1 312.282 0.266 20 5 DCBDMO C[N@H+](CCC(N)=O)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001460063604 1012852539 /nfs/dbraw/zinc/85/25/39/1012852539.db2.gz UZMHZMUIXNOSNU-UHFFFAOYSA-N 1 1 305.294 0.952 20 5 DCBDMO C[N@@H+](CCC(N)=O)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001460063604 1012852550 /nfs/dbraw/zinc/85/25/50/1012852550.db2.gz UZMHZMUIXNOSNU-UHFFFAOYSA-N 1 1 305.294 0.952 20 5 DCBDMO NC(=O)c1ccc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)c([N+](=O)[O-])c1 ZINC001460126684 1012860222 /nfs/dbraw/zinc/86/02/22/1012860222.db2.gz FEJYGLFNAGLNFQ-ZDUSSCGKSA-N 1 1 315.276 0.896 20 5 DCBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@](O)(C(F)F)C2)c([N+](=O)[O-])c1 ZINC001460126684 1012860234 /nfs/dbraw/zinc/86/02/34/1012860234.db2.gz FEJYGLFNAGLNFQ-ZDUSSCGKSA-N 1 1 315.276 0.896 20 5 DCBDMO CON1CCC([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001460200634 1012871661 /nfs/dbraw/zinc/87/16/61/1012871661.db2.gz AICDMNCYEJVZRF-CYBMUJFWSA-N 1 1 313.358 0.110 20 5 DCBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(C2C[NH+](C)C2)CC1 ZINC001522086453 1017447526 /nfs/dbraw/zinc/44/75/26/1017447526.db2.gz FYZVNJJDOMHXFP-UHFFFAOYSA-N 1 1 319.365 0.370 20 5 DCBDMO COC(=O)NCC(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001480844902 1018974380 /nfs/dbraw/zinc/97/43/80/1018974380.db2.gz WTGDJNZLTGTNJK-UHFFFAOYSA-N 1 1 324.337 0.499 20 5 DCBDMO COC(=O)CNC(=O)CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000171916618 198007947 /nfs/dbraw/zinc/00/79/47/198007947.db2.gz GWLWEACRARMKPI-UHFFFAOYSA-N 1 1 309.322 0.706 20 5 DCBDMO NC(=O)c1cccc(N2CC[NH+](CCCO)CC2)c1[N+](=O)[O-] ZINC000341846592 283385222 /nfs/dbraw/zinc/38/52/22/283385222.db2.gz TWYIZOCRFJQJLO-UHFFFAOYSA-N 1 1 308.338 0.198 20 5 DCBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCOCC1 ZINC000180499002 237256848 /nfs/dbraw/zinc/25/68/48/237256848.db2.gz MEADZIKUEZOPIK-UHFFFAOYSA-N 1 1 309.326 0.024 20 5 DCBDMO Cc1[nH]nc(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1[N+](=O)[O-] ZINC000567268607 291346275 /nfs/dbraw/zinc/34/62/75/291346275.db2.gz JWTDFNHRXRWTCH-SNVBAGLBSA-N 1 1 323.353 0.454 20 5 DCBDMO NS(=O)(=O)[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000339839407 253152321 /nfs/dbraw/zinc/15/23/21/253152321.db2.gz CMXLSWVLFATUKO-JTQLQIEISA-N 1 1 315.351 0.336 20 5 DCBDMO NS(=O)(=O)[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000339839407 253152322 /nfs/dbraw/zinc/15/23/22/253152322.db2.gz CMXLSWVLFATUKO-JTQLQIEISA-N 1 1 315.351 0.336 20 5 DCBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000346179329 254019312 /nfs/dbraw/zinc/01/93/12/254019312.db2.gz BBOIXLXUNKYSGU-SCRDCRAPSA-N 1 1 321.381 0.980 20 5 DCBDMO C[N@H+]1CC[C@@](O)(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000347304953 254146657 /nfs/dbraw/zinc/14/66/57/254146657.db2.gz POHUSHISHAYPPO-CYBMUJFWSA-N 1 1 312.301 0.922 20 5 DCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000347896916 254200107 /nfs/dbraw/zinc/20/01/07/254200107.db2.gz YMSACIXDGUXLFJ-CYBMUJFWSA-N 1 1 310.329 0.710 20 5 DCBDMO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CS(=O)(=O)CCO1 ZINC000350766840 254325193 /nfs/dbraw/zinc/32/51/93/254325193.db2.gz DXTCFLVEXLVVKO-NSHDSACASA-N 1 1 300.336 0.498 20 5 DCBDMO C[NH+]1CCN(CCCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000556780951 288393843 /nfs/dbraw/zinc/39/38/43/288393843.db2.gz QKRDQGHVDHPZEA-UHFFFAOYSA-N 1 1 310.358 0.075 20 5 DCBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000284793555 131112084 /nfs/dbraw/zinc/11/20/84/131112084.db2.gz MLFWOPIYCHCVPH-WDEREUQCSA-N 1 1 323.353 0.909 20 5 DCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000284793555 131112086 /nfs/dbraw/zinc/11/20/86/131112086.db2.gz MLFWOPIYCHCVPH-WDEREUQCSA-N 1 1 323.353 0.909 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](CCO)Cc1cccnc1 ZINC000090552460 395719170 /nfs/dbraw/zinc/71/91/70/395719170.db2.gz NNJFYWDQMUJUOK-UHFFFAOYSA-N 1 1 318.333 0.646 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](CCO)Cc1cccnc1 ZINC000090552460 395719172 /nfs/dbraw/zinc/71/91/72/395719172.db2.gz NNJFYWDQMUJUOK-UHFFFAOYSA-N 1 1 318.333 0.646 20 5 DCBDMO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000193597405 395774077 /nfs/dbraw/zinc/77/40/77/395774077.db2.gz XCXQKZISLCOEHM-QPUJVOFHSA-N 1 1 306.322 0.308 20 5 DCBDMO C[N@H+](CCc1cnccn1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000271330555 395858482 /nfs/dbraw/zinc/85/84/82/395858482.db2.gz LQJNIPXLSQWXBO-UHFFFAOYSA-N 1 1 303.322 0.721 20 5 DCBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000115438538 395839930 /nfs/dbraw/zinc/83/99/30/395839930.db2.gz SNKSGJUWKXMTSV-GFCCVEGCSA-N 1 1 322.365 0.557 20 5 DCBDMO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000270698416 395799450 /nfs/dbraw/zinc/79/94/50/395799450.db2.gz HOIJPZCCWYOSJZ-UHFFFAOYSA-N 1 1 323.353 0.693 20 5 DCBDMO COCCCOCC[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000271482552 395868488 /nfs/dbraw/zinc/86/84/88/395868488.db2.gz GDXBOPCMXRDAAF-UHFFFAOYSA-N 1 1 313.354 0.741 20 5 DCBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000150966206 395976447 /nfs/dbraw/zinc/97/64/47/395976447.db2.gz RFLUASAMBZBOMQ-GFCCVEGCSA-N 1 1 324.385 0.965 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000068467506 396056347 /nfs/dbraw/zinc/05/63/47/396056347.db2.gz HWSCRRKRORNUBE-NSHDSACASA-N 1 1 307.354 0.700 20 5 DCBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000177297541 396170971 /nfs/dbraw/zinc/17/09/71/396170971.db2.gz IMGVHUFSQDVTTN-GFCCVEGCSA-N 1 1 309.370 0.885 20 5 DCBDMO C[NH+]1CCN(CC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000075135252 396176883 /nfs/dbraw/zinc/17/68/83/396176883.db2.gz DMVIRDAAVFAGDI-UHFFFAOYSA-N 1 1 306.366 0.501 20 5 DCBDMO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH+](CCO)CC1 ZINC000178046691 396188699 /nfs/dbraw/zinc/18/86/99/396188699.db2.gz IAHUPHXPJUGDHE-UHFFFAOYSA-N 1 1 308.338 0.143 20 5 DCBDMO C[C@@]1(C(N)=O)CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000280722315 396216645 /nfs/dbraw/zinc/21/66/45/396216645.db2.gz KIYZUJZOIKLPQW-CQSZACIVSA-N 1 1 306.322 0.731 20 5 DCBDMO C[C@@]1(C(N)=O)CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000280722315 396216649 /nfs/dbraw/zinc/21/66/49/396216649.db2.gz KIYZUJZOIKLPQW-CQSZACIVSA-N 1 1 306.322 0.731 20 5 DCBDMO C[C@]1(C(N)=O)CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000280874563 396227070 /nfs/dbraw/zinc/22/70/70/396227070.db2.gz ZTOGKQMDXZFWHR-ABAIWWIYSA-N 1 1 323.349 0.532 20 5 DCBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000264476881 396283882 /nfs/dbraw/zinc/28/38/82/396283882.db2.gz MONWBDSEHKJUKG-VIFPVBQESA-N 1 1 310.310 0.146 20 5 DCBDMO CC[N@@H+]1CCO[C@@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000081371054 396299493 /nfs/dbraw/zinc/29/94/93/396299493.db2.gz MCDPNCLALGELEC-CQSZACIVSA-N 1 1 323.349 0.811 20 5 DCBDMO CC[N@H+]1CCO[C@@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000081371054 396299498 /nfs/dbraw/zinc/29/94/98/396299498.db2.gz MCDPNCLALGELEC-CQSZACIVSA-N 1 1 323.349 0.811 20 5 DCBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1COC[C@H]1O ZINC000285424292 396350006 /nfs/dbraw/zinc/35/00/06/396350006.db2.gz DWLHBKCYXVIMKK-CYZMBNFOSA-N 1 1 312.322 0.026 20 5 DCBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000269068681 396383648 /nfs/dbraw/zinc/38/36/48/396383648.db2.gz YFMSUKLPXZNBIG-STQMWFEESA-N 1 1 322.369 0.717 20 5 DCBDMO CCn1cc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)nn1 ZINC000594716186 396500158 /nfs/dbraw/zinc/50/01/58/396500158.db2.gz LISBGQKACUCLFB-ZDUSSCGKSA-N 1 1 321.337 0.736 20 5 DCBDMO Cc1nccnc1N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000374149207 396642949 /nfs/dbraw/zinc/64/29/49/396642949.db2.gz QXIDRHWPRRAYFK-UHFFFAOYSA-N 1 1 317.353 0.712 20 5 DCBDMO C[N@H+]1CCCC12CCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000374980077 396703078 /nfs/dbraw/zinc/70/30/78/396703078.db2.gz NMEALQPVRYJXSR-AWEZNQCLSA-N 1 1 323.397 0.712 20 5 DCBDMO COCCOCC[NH+]1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000610570560 396730739 /nfs/dbraw/zinc/73/07/39/396730739.db2.gz UQSVZKVHVYPJJB-UHFFFAOYSA-N 1 1 313.358 0.113 20 5 DCBDMO CNC(=O)CC[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611268361 396848576 /nfs/dbraw/zinc/84/85/76/396848576.db2.gz PPSIGTSDARZDTP-UHFFFAOYSA-N 1 1 309.322 0.934 20 5 DCBDMO CNC(=O)CC[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611268361 396848580 /nfs/dbraw/zinc/84/85/80/396848580.db2.gz PPSIGTSDARZDTP-UHFFFAOYSA-N 1 1 309.322 0.934 20 5 DCBDMO C[C@@H](C(=O)NCC[N@H+]1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000600535641 396885154 /nfs/dbraw/zinc/88/51/54/396885154.db2.gz RVPPECYJEDCHNA-BXUZGUMPSA-N 1 1 307.350 0.881 20 5 DCBDMO O=C(COc1ccccc1[N+](=O)[O-])NCC[N@@H+]1CC[C@H](O)C1 ZINC000600805916 396945865 /nfs/dbraw/zinc/94/58/65/396945865.db2.gz CGYVOBSERABXSY-NSHDSACASA-N 1 1 309.322 0.156 20 5 DCBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000597925518 397131401 /nfs/dbraw/zinc/13/14/01/397131401.db2.gz WJWTYCAJEYMEAK-NSHDSACASA-N 1 1 322.365 0.746 20 5 DCBDMO CCN(C)C(=O)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000614110424 397384623 /nfs/dbraw/zinc/38/46/23/397384623.db2.gz PDNVULPJOSDMBW-UHFFFAOYSA-N 1 1 309.322 0.934 20 5 DCBDMO O=[N+]([O-])c1c(N2CC([N@@H+]3CC[C@@H](O)C3)C2)nc2sccn21 ZINC000593507511 397378330 /nfs/dbraw/zinc/37/83/30/397378330.db2.gz JQXWSRKBCMVXAD-SECBINFHSA-N 1 1 309.351 0.559 20 5 DCBDMO O=[N+]([O-])c1c(N2CC([N@H+]3CC[C@@H](O)C3)C2)nc2sccn21 ZINC000593507511 397378335 /nfs/dbraw/zinc/37/83/35/397378335.db2.gz JQXWSRKBCMVXAD-SECBINFHSA-N 1 1 309.351 0.559 20 5 DCBDMO O=[N+]([O-])c1ccc2ncnc(N3CC([N@H+]4CC[C@@H](O)C4)C3)c2c1 ZINC000593507528 397378484 /nfs/dbraw/zinc/37/84/84/397378484.db2.gz JWTZCXZLRSUVEA-GFCCVEGCSA-N 1 1 315.333 0.793 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000370044915 397446864 /nfs/dbraw/zinc/44/68/64/397446864.db2.gz IEOPRAUIZZUFLJ-LBPRGKRZSA-N 1 1 309.370 0.625 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000370044915 397446870 /nfs/dbraw/zinc/44/68/70/397446870.db2.gz IEOPRAUIZZUFLJ-LBPRGKRZSA-N 1 1 309.370 0.625 20 5 DCBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000599531361 397465892 /nfs/dbraw/zinc/46/58/92/397465892.db2.gz UODMBPMYVBOIPH-SRVKXCTJSA-N 1 1 323.349 0.454 20 5 DCBDMO O=C(C[N@H+]1CCC[C@H]1CO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000118400362 158178229 /nfs/dbraw/zinc/17/82/29/158178229.db2.gz IJNLCBJYRQLTBR-ZDUSSCGKSA-N 1 1 305.334 0.941 20 5 DCBDMO O=C(C[N@@H+]1CCC[C@H]1CO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000118400362 158178232 /nfs/dbraw/zinc/17/82/32/158178232.db2.gz IJNLCBJYRQLTBR-ZDUSSCGKSA-N 1 1 305.334 0.941 20 5 DCBDMO CC[C@](C)([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000133629411 158320916 /nfs/dbraw/zinc/32/09/16/158320916.db2.gz LYRGSQWNXVVHBB-AWEZNQCLSA-N 1 1 308.338 0.801 20 5 DCBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000331617277 415153262 /nfs/dbraw/zinc/15/32/62/415153262.db2.gz MYFKXLAEKDZNJN-BFHYXJOUSA-N 1 1 310.354 0.653 20 5 DCBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000331617277 415153268 /nfs/dbraw/zinc/15/32/68/415153268.db2.gz MYFKXLAEKDZNJN-BFHYXJOUSA-N 1 1 310.354 0.653 20 5 DCBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)[C@@H]2C1 ZINC000425320421 287316063 /nfs/dbraw/zinc/31/60/63/287316063.db2.gz FMSKBSKVPVEQGS-JOYOIKCWSA-N 1 1 306.322 0.862 20 5 DCBDMO O=C1NCCN1CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000343890456 415768074 /nfs/dbraw/zinc/76/80/74/415768074.db2.gz YLGIMMKTSCADSF-NSHDSACASA-N 1 1 320.353 0.501 20 5 DCBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1[N+](=O)[O-] ZINC000290177753 415771956 /nfs/dbraw/zinc/77/19/56/415771956.db2.gz PIMPQNNZONOIFI-NXEZZACHSA-N 1 1 307.354 0.952 20 5 DCBDMO NC(=O)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000130999788 415924506 /nfs/dbraw/zinc/92/45/06/415924506.db2.gz UVZSLNORMQANKQ-GFCCVEGCSA-N 1 1 307.285 0.747 20 5 DCBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000152915774 415973249 /nfs/dbraw/zinc/97/32/49/415973249.db2.gz DHAHIMGLNQAVGD-NSHDSACASA-N 1 1 324.385 0.321 20 5 DCBDMO C[N@H+]1CCC[C@H]2CN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC[C@@H]21 ZINC000153968296 415988972 /nfs/dbraw/zinc/98/89/72/415988972.db2.gz GYWZUBYUBZCJPE-RYUDHWBXSA-N 1 1 307.354 0.734 20 5 DCBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356880934 415999547 /nfs/dbraw/zinc/99/95/47/415999547.db2.gz WJXVDVHYNJEOMK-LLVKDONJSA-N 1 1 324.385 0.084 20 5 DCBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000301137886 416076773 /nfs/dbraw/zinc/07/67/73/416076773.db2.gz DNEZFQJYABCCBU-ZDUSSCGKSA-N 1 1 319.365 0.733 20 5 DCBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000357925127 416154605 /nfs/dbraw/zinc/15/46/05/416154605.db2.gz MVQZDDMWPFKFHW-LBPRGKRZSA-N 1 1 324.385 0.957 20 5 DCBDMO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000596432835 416583158 /nfs/dbraw/zinc/58/31/58/416583158.db2.gz SZUVNHQCMWNTPP-MNOVXSKESA-N 1 1 320.353 1.159 20 5 DCBDMO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000596432835 416583161 /nfs/dbraw/zinc/58/31/61/416583161.db2.gz SZUVNHQCMWNTPP-MNOVXSKESA-N 1 1 320.353 1.159 20 5 DCBDMO CNc1cc2c(nn1)CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000610485106 416657341 /nfs/dbraw/zinc/65/73/41/416657341.db2.gz VANOSVBAXAIFLL-UHFFFAOYSA-N 1 1 303.326 0.681 20 5 DCBDMO CCC[N@H+](CC(N)=O)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000429159912 416950904 /nfs/dbraw/zinc/95/09/04/416950904.db2.gz FZXWGUNZHYGIKV-LLVKDONJSA-N 1 1 311.338 0.532 20 5 DCBDMO CC[N@@H+](C)C[C@@H](O)CN1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000576766909 417634867 /nfs/dbraw/zinc/63/48/67/417634867.db2.gz AOPGJCNOBJHVMK-CYBMUJFWSA-N 1 1 309.366 0.970 20 5 DCBDMO CNc1nccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000579255323 417689925 /nfs/dbraw/zinc/68/99/25/417689925.db2.gz BRIFVTSMJPMIME-ZYHUDNBSSA-N 1 1 321.381 1.444 20 5 DCBDMO CNc1nccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000579970893 417694642 /nfs/dbraw/zinc/69/46/42/417694642.db2.gz OFTHWOOSDRJPJW-MNOVXSKESA-N 1 1 319.365 1.340 20 5 DCBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000577073043 417661624 /nfs/dbraw/zinc/66/16/24/417661624.db2.gz IRGDFLQFJCJWKF-VIFPVBQESA-N 1 1 318.337 1.143 20 5 DCBDMO CN1CC[NH+](CCCSc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000578084321 417682468 /nfs/dbraw/zinc/68/24/68/417682468.db2.gz WBNPUGARILLFRK-UHFFFAOYSA-N 1 1 312.399 0.697 20 5 DCBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000354439133 261219501 /nfs/dbraw/zinc/21/95/01/261219501.db2.gz FOZQJJRSKUSRLN-VXGBXAGGSA-N 1 1 320.349 0.500 20 5 DCBDMO C[C@@H]1CC(=O)NCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000363681145 262127838 /nfs/dbraw/zinc/12/78/38/262127838.db2.gz UFUIEXBEVUAOPT-VXGBXAGGSA-N 1 1 323.349 0.545 20 5 DCBDMO C[C@@H]1CC(=O)NCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000363681145 262127839 /nfs/dbraw/zinc/12/78/39/262127839.db2.gz UFUIEXBEVUAOPT-VXGBXAGGSA-N 1 1 323.349 0.545 20 5 DCBDMO Cc1[nH+]cc2n1CC[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)C2 ZINC000355235457 271002446 /nfs/dbraw/zinc/00/24/46/271002446.db2.gz VGUKIOLJBQQXOU-NSHDSACASA-N 1 1 318.337 0.675 20 5 DCBDMO COC(=O)Cc1ccc(N2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000295488281 273981396 /nfs/dbraw/zinc/98/13/96/273981396.db2.gz QBFBKYVMRIUVAL-UHFFFAOYSA-N 1 1 323.349 0.425 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](CCCO)CC2)n1 ZINC000286291770 274004338 /nfs/dbraw/zinc/00/43/38/274004338.db2.gz OQZDWGKJEJQGSL-UHFFFAOYSA-N 1 1 324.337 0.281 20 5 DCBDMO O=[N+]([O-])c1cnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)nc1 ZINC000282372624 275040854 /nfs/dbraw/zinc/04/08/54/275040854.db2.gz YHJSUQHGZYXGER-GFCCVEGCSA-N 1 1 307.354 0.933 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2noc3c2CCCC3)c1 ZINC000582960279 337218913 /nfs/dbraw/zinc/21/89/13/337218913.db2.gz JXTRQHXAADQPMT-NSHDSACASA-N 1 1 321.337 0.809 20 5 DCBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000330859334 533899306 /nfs/dbraw/zinc/89/93/06/533899306.db2.gz RFUARFQSYNWHST-JOYOIKCWSA-N 1 1 307.354 0.984 20 5 DCBDMO C[C@H](O)C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](C)CO ZINC000190890427 525747690 /nfs/dbraw/zinc/74/76/90/525747690.db2.gz MYWQEMXQBCABKV-UWVGGRQHSA-N 1 1 311.338 0.257 20 5 DCBDMO Cc1cc(C(=O)N2CC[NH+](C[C@H](C)O)CC2)c(N)c([N+](=O)[O-])c1 ZINC000189745291 526253405 /nfs/dbraw/zinc/25/34/05/526253405.db2.gz BLTXBUALAWDKAO-NSHDSACASA-N 1 1 322.365 0.624 20 5 DCBDMO O=C(COc1ccccc1[N+](=O)[O-])NCC[N@H+]1CCCOCC1 ZINC000189448082 526996776 /nfs/dbraw/zinc/99/67/76/526996776.db2.gz QOKQKXHMOYETEB-UHFFFAOYSA-N 1 1 323.349 0.812 20 5 DCBDMO Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1C ZINC001022063856 658817110 /nfs/dbraw/zinc/81/71/10/658817110.db2.gz MVZDMDFGGOUPMW-LYIQGSDWSA-N 1 1 307.354 0.131 20 5 DCBDMO COCC[N@H+](C)CCNCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892802247 659463097 /nfs/dbraw/zinc/46/30/97/659463097.db2.gz SKMWBBGSAFZNQA-UHFFFAOYSA-N 1 1 313.354 0.977 20 5 DCBDMO COCC[N@@H+](C)CCNCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892802247 659463099 /nfs/dbraw/zinc/46/30/99/659463099.db2.gz SKMWBBGSAFZNQA-UHFFFAOYSA-N 1 1 313.354 0.977 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCc3ccccc3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775200 659557033 /nfs/dbraw/zinc/55/70/33/659557033.db2.gz CZSLTNSMPADYQF-LJIZCISZSA-N 1 1 315.373 0.941 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@H+](CCc3ccccc3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775200 659557036 /nfs/dbraw/zinc/55/70/36/659557036.db2.gz CZSLTNSMPADYQF-LJIZCISZSA-N 1 1 315.373 0.941 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCc3ccccc3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775200 659557040 /nfs/dbraw/zinc/55/70/40/659557040.db2.gz CZSLTNSMPADYQF-LJIZCISZSA-N 1 1 315.373 0.941 20 5 DCBDMO Cc1oncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775810 659557512 /nfs/dbraw/zinc/55/75/12/659557512.db2.gz NERVHTIRPONRCK-LBELIVKGSA-N 1 1 306.322 0.195 20 5 DCBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000261668303 661375311 /nfs/dbraw/zinc/37/53/11/661375311.db2.gz LCIDLFJVFAFMQJ-QMMMGPOBSA-N 1 1 319.314 0.001 20 5 DCBDMO O=C(CC[N@@H+]1CCCNC(=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000726792972 661671948 /nfs/dbraw/zinc/67/19/48/661671948.db2.gz XRZDISVBPJNYKV-UHFFFAOYSA-N 1 1 306.322 0.745 20 5 DCBDMO O=C(CC[N@H+]1CCCNC(=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000726792972 661671950 /nfs/dbraw/zinc/67/19/50/661671950.db2.gz XRZDISVBPJNYKV-UHFFFAOYSA-N 1 1 306.322 0.745 20 5 DCBDMO Cc1nc(C)c(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC000983653850 661998479 /nfs/dbraw/zinc/99/84/79/661998479.db2.gz LZFOYTWEIOOXBN-FDYHWXHSSA-N 1 1 322.365 0.941 20 5 DCBDMO CNC(=O)c1ccc(N2CC[N@H+](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000894891113 662027649 /nfs/dbraw/zinc/02/76/49/662027649.db2.gz YLNKZVFETQHLQA-NSHDSACASA-N 1 1 308.338 0.067 20 5 DCBDMO CNC(=O)c1ccc(N2CC[N@@H+](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000894891113 662027653 /nfs/dbraw/zinc/02/76/53/662027653.db2.gz YLNKZVFETQHLQA-NSHDSACASA-N 1 1 308.338 0.067 20 5 DCBDMO Cn1ccc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000985429614 662441246 /nfs/dbraw/zinc/44/12/46/662441246.db2.gz AXCOFYDRQSTMQM-ZIAGYGMSSA-N 1 1 321.381 0.508 20 5 DCBDMO C[N@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H]1C(C)(C)C ZINC000912030946 664133241 /nfs/dbraw/zinc/13/32/41/664133241.db2.gz JMAAOHGARQBUME-SNVBAGLBSA-N 1 1 310.358 0.375 20 5 DCBDMO CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000863491060 667149540 /nfs/dbraw/zinc/14/95/40/667149540.db2.gz PRRQNVHKNSSHNM-CHWSQXEVSA-N 1 1 311.382 0.755 20 5 DCBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC[N@@H+](C)CCO ZINC000884825966 667612785 /nfs/dbraw/zinc/61/27/85/667612785.db2.gz AMQXMFQOGMMSBR-UHFFFAOYSA-N 1 1 311.264 0.683 20 5 DCBDMO C[C@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000747984412 667916469 /nfs/dbraw/zinc/91/64/69/667916469.db2.gz NWFDNSPVNFCTNZ-NSHDSACASA-N 1 1 320.349 0.487 20 5 DCBDMO C[C@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000747984412 667916473 /nfs/dbraw/zinc/91/64/73/667916473.db2.gz NWFDNSPVNFCTNZ-NSHDSACASA-N 1 1 320.349 0.487 20 5 DCBDMO C[N@@H+]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@@H](CO)C1 ZINC000872605629 667916936 /nfs/dbraw/zinc/91/69/36/667916936.db2.gz IPKPYSOBVJETFO-LLVKDONJSA-N 1 1 320.349 0.592 20 5 DCBDMO C[N@H+]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@@H](CO)C1 ZINC000872605629 667916938 /nfs/dbraw/zinc/91/69/38/667916938.db2.gz IPKPYSOBVJETFO-LLVKDONJSA-N 1 1 320.349 0.592 20 5 DCBDMO C[N@@H+]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@H](CO)C1 ZINC000872605630 667917286 /nfs/dbraw/zinc/91/72/86/667917286.db2.gz IPKPYSOBVJETFO-NSHDSACASA-N 1 1 320.349 0.592 20 5 DCBDMO C[N@H+]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@H](CO)C1 ZINC000872605630 667917287 /nfs/dbraw/zinc/91/72/87/667917287.db2.gz IPKPYSOBVJETFO-NSHDSACASA-N 1 1 320.349 0.592 20 5 DCBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2CCn1cc([N+](=O)[O-])ccc1=O ZINC000880137930 669164246 /nfs/dbraw/zinc/16/42/46/669164246.db2.gz MYTYYUQTADLUKI-UONOGXRCSA-N 1 1 306.366 0.925 20 5 DCBDMO C[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C(C)(C)C ZINC000880614051 669249249 /nfs/dbraw/zinc/24/92/49/669249249.db2.gz PTTLMGVMJYXFHT-GFCCVEGCSA-N 1 1 309.370 0.980 20 5 DCBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)CC[C@@H]21 ZINC000881438909 669343376 /nfs/dbraw/zinc/34/33/76/669343376.db2.gz IYYKZIBZZYEBLC-CABZTGNLSA-N 1 1 306.322 0.862 20 5 DCBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCOC[C@@H]2C[C@H]2CCOC2)n1 ZINC000933672158 669518085 /nfs/dbraw/zinc/51/80/85/669518085.db2.gz SMSTYQCMRFBZOY-OLZOCXBDSA-N 1 1 310.354 0.919 20 5 DCBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCOC[C@@H]2C[C@H]2CCOC2)n1 ZINC000933672158 669518093 /nfs/dbraw/zinc/51/80/93/669518093.db2.gz SMSTYQCMRFBZOY-OLZOCXBDSA-N 1 1 310.354 0.919 20 5 DCBDMO O=[N+]([O-])c1ccn(CCN2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)n1 ZINC000934265113 669588812 /nfs/dbraw/zinc/58/88/12/669588812.db2.gz XIECKKBJPMJNSA-OLZOCXBDSA-N 1 1 309.370 0.322 20 5 DCBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H]3[C@H]2CCCN3CCO)n1 ZINC000934265113 669588817 /nfs/dbraw/zinc/58/88/17/669588817.db2.gz XIECKKBJPMJNSA-OLZOCXBDSA-N 1 1 309.370 0.322 20 5 DCBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H]3[C@H]2CCCN3CCO)n1 ZINC000934265113 669588819 /nfs/dbraw/zinc/58/88/19/669588819.db2.gz XIECKKBJPMJNSA-OLZOCXBDSA-N 1 1 309.370 0.322 20 5 DCBDMO O=C(NCC[N@@H+]1CCCOCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830643680 671635746 /nfs/dbraw/zinc/63/57/46/671635746.db2.gz FRWVFDNKXIDSFI-CQSZACIVSA-N 1 1 323.349 0.467 20 5 DCBDMO O=C(NCC[N@H+]1CCCOCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830643680 671635748 /nfs/dbraw/zinc/63/57/48/671635748.db2.gz FRWVFDNKXIDSFI-CQSZACIVSA-N 1 1 323.349 0.467 20 5 DCBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000844001847 672136194 /nfs/dbraw/zinc/13/61/94/672136194.db2.gz PVBYOTIIWZQVCS-LLVKDONJSA-N 1 1 323.324 0.933 20 5 DCBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000844001847 672136195 /nfs/dbraw/zinc/13/61/95/672136195.db2.gz PVBYOTIIWZQVCS-LLVKDONJSA-N 1 1 323.324 0.933 20 5 DCBDMO C[C@@H]1CCC[N@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000845917254 672282551 /nfs/dbraw/zinc/28/25/51/672282551.db2.gz JNDUHGSJBXPADJ-SNVBAGLBSA-N 1 1 314.367 0.752 20 5 DCBDMO Cc1cnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC001020138992 693709815 /nfs/dbraw/zinc/70/98/15/693709815.db2.gz LQEWCUZHJKQIKV-GWOFURMSSA-N 1 1 310.379 0.854 20 5 DCBDMO NC(=O)C(=O)N1CC2(C1)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001072934464 694685802 /nfs/dbraw/zinc/68/58/02/694685802.db2.gz FUNREIADQYNHOQ-UHFFFAOYSA-N 1 1 318.333 0.114 20 5 DCBDMO COC(=O)c1ncc([N+](=O)[O-])c(C)c1-n1cnc(C[NH3+])cc1=N ZINC001167358034 1157459129 /nfs/dbraw/zinc/45/91/29/1157459129.db2.gz IHSGCVNJVJZOHT-UHFFFAOYSA-N 1 1 318.293 0.209 20 5 DCBDMO COCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001566751337 1160142714 /nfs/dbraw/zinc/14/27/14/1160142714.db2.gz LXKMMMFBKLBJAR-XJFOESAGSA-N 1 1 311.382 0.753 20 5 DCBDMO COCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001566751337 1160142719 /nfs/dbraw/zinc/14/27/19/1160142719.db2.gz LXKMMMFBKLBJAR-XJFOESAGSA-N 1 1 311.382 0.753 20 5 DCBDMO COCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001566751337 1160142722 /nfs/dbraw/zinc/14/27/22/1160142722.db2.gz LXKMMMFBKLBJAR-XJFOESAGSA-N 1 1 311.382 0.753 20 5 DCBDMO COc1cc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])ccn1 ZINC001568848399 1160813683 /nfs/dbraw/zinc/81/36/83/1160813683.db2.gz JVDVCAUDFCVFIP-LLGAQUFESA-N 1 1 320.349 0.517 20 5 DCBDMO O=C(NCC1([NH2+]CCc2c[nH]nn2)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001577991512 1164878596 /nfs/dbraw/zinc/87/85/96/1164878596.db2.gz IEMWXRUUGGPVHI-VXGBXAGGSA-N 1 1 322.369 0.031 20 5 DCBDMO C[C@H]1C[C@H](O)C[N@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590213246 1166816249 /nfs/dbraw/zinc/81/62/49/1166816249.db2.gz CWEVBALGIUIPJI-IUCAKERBSA-N 1 1 304.310 0.730 20 5 DCBDMO CN(C[C@H]1CCC[N@H+]1C)c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001591058475 1167097602 /nfs/dbraw/zinc/09/76/02/1167097602.db2.gz REQHBRXWIGQUTR-SECBINFHSA-N 1 1 318.341 0.700 20 5 DCBDMO C[N@H+]1CC[C@@](O)(CNc2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC001591180670 1167133009 /nfs/dbraw/zinc/13/30/09/1167133009.db2.gz PBWSCHVBEAYUHT-CYBMUJFWSA-N 1 1 319.325 0.253 20 5 DCBDMO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1NCC[N@@H+]1CC[C@@H](O)C1 ZINC001593483347 1167866425 /nfs/dbraw/zinc/86/64/25/1167866425.db2.gz NZPVRRAXXSOVPS-SECBINFHSA-N 1 1 319.325 0.253 20 5 DCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC001609599873 1171039445 /nfs/dbraw/zinc/03/94/45/1171039445.db2.gz FTDFALQLUBBXJY-RISCZKNCSA-N 1 1 316.321 0.589 20 5 DCBDMO C[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC001612950146 1171366601 /nfs/dbraw/zinc/36/66/01/1171366601.db2.gz GTWMTPXJHRVOSJ-GXSJLCMTSA-N 1 1 322.369 0.135 20 5 DCBDMO C[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCN1C ZINC001618099954 1171394877 /nfs/dbraw/zinc/39/48/77/1171394877.db2.gz QPGQJCJKHUVBPZ-SKDRFNHKSA-N 1 1 323.353 0.060 20 5 DCBDMO CNC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC001618676542 1171399811 /nfs/dbraw/zinc/39/98/11/1171399811.db2.gz HGFICBOPBFVZQI-LLVKDONJSA-N 1 1 320.349 0.910 20 5 DCBDMO CNC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC001618676542 1171399817 /nfs/dbraw/zinc/39/98/17/1171399817.db2.gz HGFICBOPBFVZQI-LLVKDONJSA-N 1 1 320.349 0.910 20 5 DCBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001626361577 1171480271 /nfs/dbraw/zinc/48/02/71/1171480271.db2.gz QRWOAEPUHQPPAS-JTQLQIEISA-N 1 1 308.338 0.316 20 5 DCBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001626361577 1171480272 /nfs/dbraw/zinc/48/02/72/1171480272.db2.gz QRWOAEPUHQPPAS-JTQLQIEISA-N 1 1 308.338 0.316 20 5 DCBDMO NC(=O)[C@@H]1CN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])CC[NH2+]1 ZINC001639227227 1171827788 /nfs/dbraw/zinc/82/77/88/1171827788.db2.gz QNEBLSWJXSUCFM-QMMMGPOBSA-N 1 1 318.255 0.877 20 5 DCBDMO CCc1n[nH]c(C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c1[N+](=O)[O-] ZINC001639684848 1171845849 /nfs/dbraw/zinc/84/58/49/1171845849.db2.gz OEQUVCKAAKMUKN-OTYXRUKQSA-N 1 1 307.354 0.904 20 5 DCBDMO CCc1[nH]nc(C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c1[N+](=O)[O-] ZINC001639684848 1171845856 /nfs/dbraw/zinc/84/58/56/1171845856.db2.gz OEQUVCKAAKMUKN-OTYXRUKQSA-N 1 1 307.354 0.904 20 5 DCBDMO CCc1[nH]nc(C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c1[N+](=O)[O-] ZINC001639684848 1171845864 /nfs/dbraw/zinc/84/58/64/1171845864.db2.gz OEQUVCKAAKMUKN-OTYXRUKQSA-N 1 1 307.354 0.904 20 5 DCBDMO Cn1ncc2c1CCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC001643410163 1171974840 /nfs/dbraw/zinc/97/48/40/1171974840.db2.gz HKKPATDVXXUDHH-ZDUSSCGKSA-N 1 1 320.353 0.334 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC001644246342 1172000163 /nfs/dbraw/zinc/00/01/63/1172000163.db2.gz CNHHUCUFXWFXPQ-TXEJJXNPSA-N 1 1 323.349 0.374 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC001644246342 1172000173 /nfs/dbraw/zinc/00/01/73/1172000173.db2.gz CNHHUCUFXWFXPQ-TXEJJXNPSA-N 1 1 323.349 0.374 20 5 DCBDMO O=C(CC[N@@H+]1CC[C@@H](O)[C@@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC001654529584 1173806869 /nfs/dbraw/zinc/80/68/69/1173806869.db2.gz UCEGJVFJQHOQRT-OLZOCXBDSA-N 1 1 309.322 0.351 20 5 DCBDMO CC(C)N(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C(N)=O ZINC001700973565 1178853928 /nfs/dbraw/zinc/85/39/28/1178853928.db2.gz NZQJDDVJMIAUQC-UHFFFAOYSA-N 1 1 322.365 0.749 20 5 DCBDMO CC(C)N(CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C(N)=O ZINC001700973565 1178853939 /nfs/dbraw/zinc/85/39/39/1178853939.db2.gz NZQJDDVJMIAUQC-UHFFFAOYSA-N 1 1 322.365 0.749 20 5 DCBDMO NC(=O)CC(=O)NCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001713555045 1180920885 /nfs/dbraw/zinc/92/08/85/1180920885.db2.gz LGWJUXMVBCSCJD-UHFFFAOYSA-N 1 1 320.349 0.551 20 5 DCBDMO NC(=O)CC(=O)NCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001713555045 1180920891 /nfs/dbraw/zinc/92/08/91/1180920891.db2.gz LGWJUXMVBCSCJD-UHFFFAOYSA-N 1 1 320.349 0.551 20 5 DCBDMO COCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001714518127 1181399161 /nfs/dbraw/zinc/39/91/61/1181399161.db2.gz JOXFJEMHJODPJT-CHWSQXEVSA-N 1 1 311.382 0.613 20 5 DCBDMO CN(CCN1CC[NH+](CCC2CC2)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001732063657 1185653565 /nfs/dbraw/zinc/65/35/65/1185653565.db2.gz RXUXJAKPKNYAPS-HUUCEWRRSA-N 1 1 324.425 0.528 20 5 DCBDMO CCOc1nc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164669219 719416322 /nfs/dbraw/zinc/41/63/22/719416322.db2.gz LITIGRWHLGCZLQ-RYUDHWBXSA-N 1 1 308.338 0.908 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000342703475 719486441 /nfs/dbraw/zinc/48/64/41/719486441.db2.gz KIDVSVIPUVXEGK-NWDGAFQWSA-N 1 1 322.321 0.296 20 5 DCBDMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])c(N)n1 ZINC001164925629 721868758 /nfs/dbraw/zinc/86/87/58/721868758.db2.gz OXGWENSKAFTQDB-RYUDHWBXSA-N 1 1 320.397 0.787 20 5 DCBDMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])c(N)n1 ZINC001164925629 721868759 /nfs/dbraw/zinc/86/87/59/721868759.db2.gz OXGWENSKAFTQDB-RYUDHWBXSA-N 1 1 320.397 0.787 20 5 DCBDMO CN(C)c1cccc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001126932290 750143995 /nfs/dbraw/zinc/14/39/95/750143995.db2.gz QRGANRDRLDDLDK-ZIAGYGMSSA-N 1 1 306.366 0.624 20 5 DCBDMO O=C(NCC[NH2+]CCCOCc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936673 750149337 /nfs/dbraw/zinc/14/93/37/750149337.db2.gz QCQVLGQJSKKKTQ-HUUCEWRRSA-N 1 1 321.377 0.964 20 5 DCBDMO COc1cc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])ccc1C ZINC001126936437 750149719 /nfs/dbraw/zinc/14/97/19/750149719.db2.gz HVFQIJKXSJSIJY-CHWSQXEVSA-N 1 1 307.350 0.875 20 5 DCBDMO Cn1cc(C[NH+]2CCC(C)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC001045436318 753194042 /nfs/dbraw/zinc/19/40/42/753194042.db2.gz PTSVCHNXINXFOO-CHWSQXEVSA-N 1 1 321.381 0.556 20 5 DCBDMO C[C@@H]1C[N@H+](CCCOC(=O)c2nn(C)cc2[N+](=O)[O-])CCO1 ZINC001123023376 767916136 /nfs/dbraw/zinc/91/61/36/767916136.db2.gz NSSZQZSJAIFGMG-SNVBAGLBSA-N 1 1 312.326 0.596 20 5 DCBDMO C[C@@H]1C[N@@H+](CCCOC(=O)c2nn(C)cc2[N+](=O)[O-])CCO1 ZINC001123023376 767916140 /nfs/dbraw/zinc/91/61/40/767916140.db2.gz NSSZQZSJAIFGMG-SNVBAGLBSA-N 1 1 312.326 0.596 20 5 DCBDMO Cc1cc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)no1 ZINC001123186760 767942788 /nfs/dbraw/zinc/94/27/88/767942788.db2.gz LDXJSMRLSTZIFK-UHFFFAOYSA-N 1 1 308.298 0.144 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1ccsc1 ZINC001123263454 767955692 /nfs/dbraw/zinc/95/56/92/767955692.db2.gz LUKHZRSSZLJBJV-UHFFFAOYSA-N 1 1 309.351 0.909 20 5 DCBDMO COCCN1C[C@@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1=O ZINC001169020117 760559298 /nfs/dbraw/zinc/55/92/98/760559298.db2.gz IMUSWIWNWZKRKV-DGAVXFQQSA-N 1 1 311.382 0.468 20 5 DCBDMO CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@H+]2[C@H]2CC[C@H](C[N+](=O)[O-])C2)O1 ZINC001169018956 760559657 /nfs/dbraw/zinc/55/96/57/760559657.db2.gz FRTHXUIETCMLNB-ODXJTPSBSA-N 1 1 311.382 0.752 20 5 DCBDMO COC[C@@H]1c2nnn(C)c2CC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169023449 760560829 /nfs/dbraw/zinc/56/08/29/760560829.db2.gz UKTYROIDXXBKJI-GMXVVIOVSA-N 1 1 309.370 0.806 20 5 DCBDMO COC[C@@H]1c2nnn(C)c2CC[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169023449 760560832 /nfs/dbraw/zinc/56/08/32/760560832.db2.gz UKTYROIDXXBKJI-GMXVVIOVSA-N 1 1 309.370 0.806 20 5 DCBDMO Cn1cccc1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001123641282 768013379 /nfs/dbraw/zinc/01/33/79/768013379.db2.gz JUSGVWJOKAOQEL-UHFFFAOYSA-N 1 1 306.326 0.186 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)C1(CCF)CC1 ZINC001131723098 763965686 /nfs/dbraw/zinc/96/56/86/763965686.db2.gz UVKJSXZMLQCMIV-UHFFFAOYSA-N 1 1 313.333 0.674 20 5 DCBDMO Cc1ncccc1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001133103209 764827682 /nfs/dbraw/zinc/82/76/82/764827682.db2.gz RPJFATZEZPGFMT-UHFFFAOYSA-N 1 1 318.337 0.551 20 5 DCBDMO CCc1nocc1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001133484479 764987464 /nfs/dbraw/zinc/98/74/64/764987464.db2.gz CWIMWIXQSSFMOS-UHFFFAOYSA-N 1 1 322.325 0.398 20 5 DCBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC001117826670 766144208 /nfs/dbraw/zinc/14/42/08/766144208.db2.gz UVPUCFORZQCBOF-GFCCVEGCSA-N 1 1 322.365 0.754 20 5 DCBDMO CN1CCN(CCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001120558894 767078865 /nfs/dbraw/zinc/07/88/65/767078865.db2.gz KWSUDDCCLQJYPA-INIZCTEOSA-N 1 1 322.409 0.855 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)n1 ZINC001147352422 767721754 /nfs/dbraw/zinc/72/17/54/767721754.db2.gz LLKAQUIBFHBNLY-SMDDNHRTSA-N 1 1 321.381 0.662 20 5 DCBDMO COCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001147506243 767763964 /nfs/dbraw/zinc/76/39/64/767763964.db2.gz DSSQXMZWKIUHGE-CHWSQXEVSA-N 1 1 311.382 0.613 20 5 DCBDMO COCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001147506243 767763968 /nfs/dbraw/zinc/76/39/68/767763968.db2.gz DSSQXMZWKIUHGE-CHWSQXEVSA-N 1 1 311.382 0.613 20 5 DCBDMO COCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001147506243 767763975 /nfs/dbraw/zinc/76/39/75/767763975.db2.gz DSSQXMZWKIUHGE-CHWSQXEVSA-N 1 1 311.382 0.613 20 5 DCBDMO Cc1[nH+]ccn1CC(=O)NCCNc1ccc([N+](=O)[O-])cn1 ZINC001093641906 768666794 /nfs/dbraw/zinc/66/67/94/768666794.db2.gz ABYCDWHBCPUVEY-UHFFFAOYSA-N 1 1 304.310 0.723 20 5 DCBDMO COc1ccc(C(=O)CNC(=O)[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC001151260305 769300505 /nfs/dbraw/zinc/30/05/05/769300505.db2.gz LRHAOHXEGUTSEW-VIFPVBQESA-N 1 1 309.322 0.852 20 5 DCBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(N2CCNC(=O)C2)C1 ZINC001173232799 769568304 /nfs/dbraw/zinc/56/83/04/769568304.db2.gz HYXYEFSPCRIZLI-GFCCVEGCSA-N 1 1 318.377 0.642 20 5 DCBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H]2CO)c([N+](=O)[O-])c1 ZINC001176464390 770108753 /nfs/dbraw/zinc/10/87/53/770108753.db2.gz WVFSJLFUTRSIDF-JTQLQIEISA-N 1 1 309.322 0.999 20 5 DCBDMO CCC(CC)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157775806 771670661 /nfs/dbraw/zinc/67/06/61/771670661.db2.gz XWMMEWRMUYDRCK-VXGBXAGGSA-N 1 1 314.386 0.052 20 5 DCBDMO COCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160090440 771997026 /nfs/dbraw/zinc/99/70/26/771997026.db2.gz GULIWHDBOQMYJA-ZIAGYGMSSA-N 1 1 311.382 0.827 20 5 DCBDMO COCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001160090440 771997028 /nfs/dbraw/zinc/99/70/28/771997028.db2.gz GULIWHDBOQMYJA-ZIAGYGMSSA-N 1 1 311.382 0.827 20 5 DCBDMO COCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001160090440 771997030 /nfs/dbraw/zinc/99/70/30/771997030.db2.gz GULIWHDBOQMYJA-ZIAGYGMSSA-N 1 1 311.382 0.827 20 5 DCBDMO CC(C)(C)OC(=O)[C@@H]([NH3+])C1CN(c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001163118823 772466223 /nfs/dbraw/zinc/46/62/23/772466223.db2.gz DEYINNWDICSBFJ-LBPRGKRZSA-N 1 1 323.353 0.677 20 5 DCBDMO Cc1c[n+]([O-])c(NCC2(N(C)C)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001164206877 772625823 /nfs/dbraw/zinc/62/58/23/772625823.db2.gz ISIOBMVNDDOHNY-UHFFFAOYSA-N 1 1 323.397 0.975 20 5 DCBDMO NS(=O)(=O)C[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001198326681 773900729 /nfs/dbraw/zinc/90/07/29/773900729.db2.gz JALURYRTWNYBNJ-VIFPVBQESA-N 1 1 317.342 0.844 20 5 DCBDMO NS(=O)(=O)C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001198326681 773900733 /nfs/dbraw/zinc/90/07/33/773900733.db2.gz JALURYRTWNYBNJ-VIFPVBQESA-N 1 1 317.342 0.844 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Nc3ccncc3[N+](=O)[O-])[C@H]2C1 ZINC001215998194 774098344 /nfs/dbraw/zinc/09/83/44/774098344.db2.gz XVFIFBLLQAIJIC-GARJFASQSA-N 1 1 305.338 0.873 20 5 DCBDMO C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc2c(c1)COC2 ZINC001266272805 939040246 /nfs/dbraw/zinc/04/02/46/939040246.db2.gz CLORQUDYEDCTGE-HUUCEWRRSA-N 1 1 319.361 0.930 20 5 DCBDMO C[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccc2c(c1)COC2 ZINC001266272805 939040250 /nfs/dbraw/zinc/04/02/50/939040250.db2.gz CLORQUDYEDCTGE-HUUCEWRRSA-N 1 1 319.361 0.930 20 5 DCBDMO C[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccc2c(c1)COC2 ZINC001266272805 939040253 /nfs/dbraw/zinc/04/02/53/939040253.db2.gz CLORQUDYEDCTGE-HUUCEWRRSA-N 1 1 319.361 0.930 20 5 DCBDMO O=C(NCc1ccc(CC[NH2+]CCO)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC001267097331 939340643 /nfs/dbraw/zinc/34/06/43/939340643.db2.gz ZVWXVZKOKACCIR-ZIAGYGMSSA-N 1 1 307.350 0.092 20 5 DCBDMO COCC[N@@H+](CCF)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001323746409 947190205 /nfs/dbraw/zinc/19/02/05/947190205.db2.gz MOTZTHVOGPZQTK-CHWSQXEVSA-N 1 1 317.361 0.561 20 5 DCBDMO COCC[N@H+](CCF)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001323746409 947190209 /nfs/dbraw/zinc/19/02/09/947190209.db2.gz MOTZTHVOGPZQTK-CHWSQXEVSA-N 1 1 317.361 0.561 20 5 DCBDMO COCC[N@@H+](CCF)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001323746409 947190216 /nfs/dbraw/zinc/19/02/16/947190216.db2.gz MOTZTHVOGPZQTK-CHWSQXEVSA-N 1 1 317.361 0.561 20 5 DCBDMO CN1CCN(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001262557438 947726080 /nfs/dbraw/zinc/72/60/80/947726080.db2.gz BMZOHTLPYUDUFU-HNNXBMFYSA-N 1 1 308.382 0.465 20 5 DCBDMO O=[N+]([O-])c1c(NCC[NH+]2CC=CC2)ncnc1N1CCOCC1 ZINC001328483442 948919388 /nfs/dbraw/zinc/91/93/88/948919388.db2.gz YDNLTIXHQQDVNO-UHFFFAOYSA-N 1 1 320.353 0.505 20 5 DCBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001478172536 1017324740 /nfs/dbraw/zinc/32/47/40/1017324740.db2.gz VUMOCOBNOYVVKY-NSHDSACASA-N 1 1 310.358 0.527 20 5 DCBDMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331930444 951393486 /nfs/dbraw/zinc/39/34/86/951393486.db2.gz FYBKRFVLQDPWJK-ZFWWWQNUSA-N 1 1 305.334 0.892 20 5 DCBDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331930439 951393841 /nfs/dbraw/zinc/39/38/41/951393841.db2.gz FYBKRFVLQDPWJK-UKRRQHHQSA-N 1 1 305.334 0.892 20 5 DCBDMO Cn1c(CCC[N+](=O)[O-])nnc1N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001338798534 953052717 /nfs/dbraw/zinc/05/27/17/953052717.db2.gz XSHRGQODBCLIGX-NWDGAFQWSA-N 1 1 308.386 0.555 20 5 DCBDMO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nnnn1C ZINC001346122672 953805039 /nfs/dbraw/zinc/80/50/39/953805039.db2.gz LVBPHOGDBAGXLY-SECBINFHSA-N 1 1 319.325 0.798 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC001295513768 957737628 /nfs/dbraw/zinc/73/76/28/957737628.db2.gz IODBZKHINPZGBC-WFASDCNBSA-N 1 1 323.349 0.675 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001295513768 957737639 /nfs/dbraw/zinc/73/76/39/957737639.db2.gz IODBZKHINPZGBC-WFASDCNBSA-N 1 1 323.349 0.675 20 5 DCBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(O)(C(N)=O)CC1 ZINC001307763095 960156259 /nfs/dbraw/zinc/15/62/59/960156259.db2.gz QSDRBBOLRLSIPW-UHFFFAOYSA-N 1 1 309.322 0.416 20 5 DCBDMO COc1ccc(NC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)cc1[N+](=O)[O-] ZINC001466329131 1016069411 /nfs/dbraw/zinc/06/94/11/1016069411.db2.gz JCWLBOJXKBETOU-QMTHXVAHSA-N 1 1 309.322 0.997 20 5 DCBDMO COc1ccc(NC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)cc1[N+](=O)[O-] ZINC001466329131 1016069417 /nfs/dbraw/zinc/06/94/17/1016069417.db2.gz JCWLBOJXKBETOU-QMTHXVAHSA-N 1 1 309.322 0.997 20 5 DCBDMO O=C(NCCc1ccccc1[N+](=O)[O-])NCC[N@@H+]1CC[C@H](O)C1 ZINC001470022871 1016382155 /nfs/dbraw/zinc/38/21/55/1016382155.db2.gz XZIFBIGKAWHRIE-ZDUSSCGKSA-N 1 1 322.365 0.503 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cnc(N)c([N+](=O)[O-])c3)CC[C@H]21 ZINC001471214611 1016544677 /nfs/dbraw/zinc/54/46/77/1016544677.db2.gz JUMICWTUKGDRJK-MWLCHTKSSA-N 1 1 305.338 0.738 20 5 DCBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001472080708 1016719892 /nfs/dbraw/zinc/71/98/92/1016719892.db2.gz WTHGFFNSJJYEMT-JTQLQIEISA-N 1 1 307.306 0.503 20 5 DCBDMO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](CO)[C@H]2CO)c([N+](=O)[O-])c1 ZINC001473684156 1016956788 /nfs/dbraw/zinc/95/67/88/1016956788.db2.gz HLXWWKVTDQWISK-GXTWGEPZSA-N 1 1 323.349 0.259 20 5 DCBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H](CO)[C@H]2CO)c([N+](=O)[O-])c1 ZINC001473684156 1016956793 /nfs/dbraw/zinc/95/67/93/1016956793.db2.gz HLXWWKVTDQWISK-GXTWGEPZSA-N 1 1 323.349 0.259 20 5 DCBDMO COC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[N@H+](C)C1 ZINC001451626520 1006319979 /nfs/dbraw/zinc/31/99/79/1006319979.db2.gz RATPEORVMKCDNU-JTQLQIEISA-N 1 1 322.321 0.167 20 5 DCBDMO COC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[N@@H+](C)C1 ZINC001451626520 1006319990 /nfs/dbraw/zinc/31/99/90/1006319990.db2.gz RATPEORVMKCDNU-JTQLQIEISA-N 1 1 322.321 0.167 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3[nH]nc([N+](=O)[O-])c3Cl)C[C@@H]2C1 ZINC001452721355 1007011817 /nfs/dbraw/zinc/01/18/17/1007011817.db2.gz ZGLGJBXNVQNHNL-SFYZADRCSA-N 1 1 313.745 0.995 20 5 DCBDMO CCc1[nH+]ccn1CCNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC001558291343 1012340680 /nfs/dbraw/zinc/34/06/80/1012340680.db2.gz LHPHHDQZVHWTEZ-UHFFFAOYSA-N 1 1 306.326 0.675 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@H](Nc3ncc([N+](=O)[O-])cc3C(N)=O)[C@H]2C1 ZINC001559303952 1012418710 /nfs/dbraw/zinc/41/87/10/1012418710.db2.gz JQEXICGFRPOGHD-UWJYBYFXSA-N 1 1 305.338 0.841 20 5 DCBDMO COC(=O)[C@]1(O)CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001460693922 1012951780 /nfs/dbraw/zinc/95/17/80/1012951780.db2.gz NKFPSPNRBFOMDF-JSGCOSHPSA-N 1 1 310.306 0.238 20 5 DCBDMO COC(=O)[C@]1(O)CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001460693922 1012951793 /nfs/dbraw/zinc/95/17/93/1012951793.db2.gz NKFPSPNRBFOMDF-JSGCOSHPSA-N 1 1 310.306 0.238 20 5 DCBDMO Cc1ncsc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001497583434 1018247764 /nfs/dbraw/zinc/24/77/64/1018247764.db2.gz MTTTWGCDRVLONJ-WUNPDAOYSA-N 1 1 310.379 0.879 20 5 DCBDMO Cc1ccnc(CN(C)CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001502192998 1019800292 /nfs/dbraw/zinc/80/02/92/1019800292.db2.gz NBORJAAZAJIUHB-CHWSQXEVSA-N 1 1 321.381 0.731 20 5 DCBDMO Cc1n[nH]c(C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000331032230 232385918 /nfs/dbraw/zinc/38/59/18/232385918.db2.gz HMPIBMHEJSNGBZ-SNVBAGLBSA-N 1 1 324.385 0.382 20 5 DCBDMO COCC[N@H+]1CC[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000272662170 210067063 /nfs/dbraw/zinc/06/70/63/210067063.db2.gz IBGQMTDRVRLXFF-SNVBAGLBSA-N 1 1 309.326 0.832 20 5 DCBDMO C[C@H]1C[NH2+]CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000193359443 290936534 /nfs/dbraw/zinc/93/65/34/290936534.db2.gz KIHKLPHJBQPPST-QMMMGPOBSA-N 1 1 303.315 0.716 20 5 DCBDMO O=C([C@@H]1COCC[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000173007051 198176584 /nfs/dbraw/zinc/17/65/84/198176584.db2.gz YCRVUPOFYXQVBV-AWEZNQCLSA-N 1 1 320.349 0.232 20 5 DCBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179549283 199052942 /nfs/dbraw/zinc/05/29/42/199052942.db2.gz FIXQEYDUBFMKJT-SNVBAGLBSA-N 1 1 309.326 0.112 20 5 DCBDMO C[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000180800969 199211104 /nfs/dbraw/zinc/21/11/04/199211104.db2.gz RPRMDYDCNRPPSB-NSHDSACASA-N 1 1 322.365 0.875 20 5 DCBDMO C[N@H+]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1(C)C ZINC000281790703 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307.314 0.082 20 5 DCBDMO C[C@H](O)C[N@H+](CCO)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000289738474 221192256 /nfs/dbraw/zinc/19/22/56/221192256.db2.gz JKMBRSRTKAVKDG-JTQLQIEISA-N 1 1 312.322 0.636 20 5 DCBDMO C[C@H](O)C[N@@H+](CCO)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000289738474 221192259 /nfs/dbraw/zinc/19/22/59/221192259.db2.gz JKMBRSRTKAVKDG-JTQLQIEISA-N 1 1 312.322 0.636 20 5 DCBDMO COCCC[N@@H+](CCOC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000270566732 395784242 /nfs/dbraw/zinc/78/42/42/395784242.db2.gz MEXPRZIVKXXWCS-UHFFFAOYSA-N 1 1 313.354 0.741 20 5 DCBDMO CCNC(=O)C[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000052188033 395860967 /nfs/dbraw/zinc/86/09/67/395860967.db2.gz NXLUKKMGUCNEII-LBPRGKRZSA-N 1 1 311.338 0.402 20 5 DCBDMO CCNC(=O)C[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000052188033 395860969 /nfs/dbraw/zinc/86/09/69/395860969.db2.gz NXLUKKMGUCNEII-LBPRGKRZSA-N 1 1 311.338 0.402 20 5 DCBDMO COCC[N@H+](C)CCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272510831 395895637 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ZINC000266883440 415140370 /nfs/dbraw/zinc/14/03/70/415140370.db2.gz CRJLQPBWMPKHRY-JTQLQIEISA-N 1 1 324.337 0.632 20 5 DCBDMO CN(C)S(=O)(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000353072512 415426977 /nfs/dbraw/zinc/42/69/77/415426977.db2.gz MERLOSVVFLUDJF-UHFFFAOYSA-N 1 1 305.331 0.715 20 5 DCBDMO C[N@@H+](CCC(N)=O)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000353192262 415467886 /nfs/dbraw/zinc/46/78/86/415467886.db2.gz LCFIDBOGWIYSRY-LBPRGKRZSA-N 1 1 306.322 0.507 20 5 DCBDMO CC[N@@H+](CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C(C)C ZINC000343309248 415549607 /nfs/dbraw/zinc/54/96/07/415549607.db2.gz WLFMYXQDSNXOGQ-UHFFFAOYSA-N 1 1 310.354 0.603 20 5 DCBDMO Cc1cnn([C@@H]2CC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000289869929 415729162 /nfs/dbraw/zinc/72/91/62/415729162.db2.gz LRASWZFDSZTCTD-OCCSQVGLSA-N 1 1 320.353 0.604 20 5 DCBDMO CO[C@H]1COC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000290243855 415777872 /nfs/dbraw/zinc/77/78/72/415777872.db2.gz ZIYJVRQUCAGNTB-ICCXJUOJSA-N 1 1 309.322 0.925 20 5 DCBDMO CN(C)CC[N@@H+](C)CCCN(C)Cc1c([N+](=O)[O-])ncn1C ZINC000344009697 415817673 /nfs/dbraw/zinc/81/76/73/415817673.db2.gz BKTAQFMFHJPIMV-UHFFFAOYSA-N 1 1 312.418 0.644 20 5 DCBDMO CN(CCCN(C)Cc1c([N+](=O)[O-])ncn1C)CC[NH+](C)C ZINC000344009697 415817679 /nfs/dbraw/zinc/81/76/79/415817679.db2.gz BKTAQFMFHJPIMV-UHFFFAOYSA-N 1 1 312.418 0.644 20 5 DCBDMO Cn1c(C(=O)NCCC[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000344873946 416000835 /nfs/dbraw/zinc/00/08/35/416000835.db2.gz MDEBNOQUCSGBKI-UHFFFAOYSA-N 1 1 309.370 0.301 20 5 DCBDMO Cc1[nH+]ccn1CCCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000338334580 416082234 /nfs/dbraw/zinc/08/22/34/416082234.db2.gz XMXDGUMJVVURAS-UHFFFAOYSA-N 1 1 304.310 0.897 20 5 DCBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](CN3CCOCC3)C2)n1 ZINC000176240535 416122389 /nfs/dbraw/zinc/12/23/89/416122389.db2.gz HBIRPULHEXHXID-CQSZACIVSA-N 1 1 323.397 0.836 20 5 DCBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000357910290 416152461 /nfs/dbraw/zinc/15/24/61/416152461.db2.gz FFFJAMVYGFUFCJ-LBPRGKRZSA-N 1 1 324.385 0.815 20 5 DCBDMO C[C@H]1C[N@@H+](C)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000330662385 416225242 /nfs/dbraw/zinc/22/52/42/416225242.db2.gz DHJVDCBGBWIHCE-GXTWGEPZSA-N 1 1 309.366 0.970 20 5 DCBDMO C[C@H]1CN(C)CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000330662385 416225244 /nfs/dbraw/zinc/22/52/44/416225244.db2.gz DHJVDCBGBWIHCE-GXTWGEPZSA-N 1 1 309.366 0.970 20 5 DCBDMO C[C@H]1CN(C)CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000330662385 416225249 /nfs/dbraw/zinc/22/52/49/416225249.db2.gz DHJVDCBGBWIHCE-GXTWGEPZSA-N 1 1 309.366 0.970 20 5 DCBDMO C[N@H+]1CC[C@@](O)(CNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000358703606 416270483 /nfs/dbraw/zinc/27/04/83/416270483.db2.gz HBNPFQYIMLYQMK-OAHLLOKOSA-N 1 1 322.365 0.503 20 5 DCBDMO Cc1nn(C)c(NCCC[N@H+]2CCC[C@@H]2C(N)=O)c1[N+](=O)[O-] ZINC000358899995 416291557 /nfs/dbraw/zinc/29/15/57/416291557.db2.gz JWWZKZAICHZAHX-SNVBAGLBSA-N 1 1 310.358 0.388 20 5 DCBDMO Cc1nn(C)c(NC2CC[NH+](CC(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC000265117281 416340134 /nfs/dbraw/zinc/34/01/34/416340134.db2.gz IXHCUMMFJBJSOW-UHFFFAOYSA-N 1 1 324.385 0.601 20 5 DCBDMO CNc1nccc(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000590422882 416527599 /nfs/dbraw/zinc/52/75/99/416527599.db2.gz KCYIAOKKYHFTST-LLVKDONJSA-N 1 1 321.381 1.493 20 5 DCBDMO C[C@@H](CCN1CC[NH+](C)CC1)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000596198253 416580336 /nfs/dbraw/zinc/58/03/36/416580336.db2.gz YFQNWXBRWRHDRV-NSHDSACASA-N 1 1 308.386 1.010 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425499862 416709586 /nfs/dbraw/zinc/70/95/86/416709586.db2.gz BRLQXHKZYZQGGA-GFCCVEGCSA-N 1 1 318.337 0.685 20 5 DCBDMO O=C1NCCN1[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000370002110 416865264 /nfs/dbraw/zinc/86/52/64/416865264.db2.gz MSOMNQNTJQEWSX-LLVKDONJSA-N 1 1 308.342 0.281 20 5 DCBDMO CCC[N@@H+](CC)CCNC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000563638655 416885093 /nfs/dbraw/zinc/88/50/93/416885093.db2.gz WLEVQYGMNRBYIH-UHFFFAOYSA-N 1 1 309.370 1.493 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCc3ncsc3C2)c1 ZINC000445842586 416902868 /nfs/dbraw/zinc/90/28/68/416902868.db2.gz ZUXUQHXQXUEPQX-SNVBAGLBSA-N 1 1 309.351 0.667 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCc3ncsc3C2)c1 ZINC000445842586 416902877 /nfs/dbraw/zinc/90/28/77/416902877.db2.gz ZUXUQHXQXUEPQX-SNVBAGLBSA-N 1 1 309.351 0.667 20 5 DCBDMO NC(=O)NC(=O)CCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446735629 416944133 /nfs/dbraw/zinc/94/41/33/416944133.db2.gz LATDGSGMEMIEKD-UHFFFAOYSA-N 1 1 306.322 0.928 20 5 DCBDMO C[C@@H]1CC[C@@H]([N@@H+](CCO)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000429761201 416993780 /nfs/dbraw/zinc/99/37/80/416993780.db2.gz DBLQDBIIRKTCRY-BZPMIXESSA-N 1 1 312.370 0.635 20 5 DCBDMO CNc1nccc(C(=O)NCCC[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000566687574 417052176 /nfs/dbraw/zinc/05/21/76/417052176.db2.gz OFARGGUJRRSTHZ-UHFFFAOYSA-N 1 1 309.370 1.492 20 5 DCBDMO O=C(NC[C@H]1C[NH2+]CCCO1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000449708143 417169421 /nfs/dbraw/zinc/16/94/21/417169421.db2.gz UDXZFLOLHDYSHX-SNVBAGLBSA-N 1 1 319.321 0.579 20 5 DCBDMO CC(C)OC[C@H](CO)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000433164983 417237134 /nfs/dbraw/zinc/23/71/34/417237134.db2.gz GZGOSSJDUPDIJX-ZDUSSCGKSA-N 1 1 313.354 0.474 20 5 DCBDMO C[N@H+](CCC(=O)N1CCNCC1)CCc1ccccc1[N+](=O)[O-] ZINC000420371162 262372029 /nfs/dbraw/zinc/37/20/29/262372029.db2.gz KHVLCKAFRRVKEP-UHFFFAOYSA-N 1 1 320.393 0.891 20 5 DCBDMO C[N@@H+](CCC(=O)N1CCNCC1)CCc1ccccc1[N+](=O)[O-] ZINC000420371162 262372030 /nfs/dbraw/zinc/37/20/30/262372030.db2.gz KHVLCKAFRRVKEP-UHFFFAOYSA-N 1 1 320.393 0.891 20 5 DCBDMO CC(=O)N[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000420985384 262389272 /nfs/dbraw/zinc/38/92/72/262389272.db2.gz KXMIQKATRGUDBU-OCCSQVGLSA-N 1 1 323.349 0.545 20 5 DCBDMO CC[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1N1CCOCC1 ZINC000363447866 271189887 /nfs/dbraw/zinc/18/98/87/271189887.db2.gz CZLMZSJHGDMGRW-OLZOCXBDSA-N 1 1 323.397 0.871 20 5 DCBDMO CC[C@@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1N1CCOCC1 ZINC000363447866 271189892 /nfs/dbraw/zinc/18/98/92/271189892.db2.gz CZLMZSJHGDMGRW-OLZOCXBDSA-N 1 1 323.397 0.871 20 5 DCBDMO CC[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1[NH+]1CCOCC1 ZINC000363447866 271189895 /nfs/dbraw/zinc/18/98/95/271189895.db2.gz CZLMZSJHGDMGRW-OLZOCXBDSA-N 1 1 323.397 0.871 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[N@@H+](CCO)CC2)n1 ZINC000281069345 274003907 /nfs/dbraw/zinc/00/39/07/274003907.db2.gz AGCRGZIYWUSIJL-UHFFFAOYSA-N 1 1 324.337 0.281 20 5 DCBDMO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000547763891 288076789 /nfs/dbraw/zinc/07/67/89/288076789.db2.gz ITAJTHWXNBCJRL-SNVBAGLBSA-N 1 1 309.326 0.112 20 5 DCBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000548050787 288106223 /nfs/dbraw/zinc/10/62/23/288106223.db2.gz BEBBAIHCFPPHKW-NSHDSACASA-N 1 1 324.381 0.851 20 5 DCBDMO CCOCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001567747056 1160470230 /nfs/dbraw/zinc/47/02/30/1160470230.db2.gz UVOCVYVTXUSHSK-ZIAGYGMSSA-N 1 1 313.398 0.859 20 5 DCBDMO CCOCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001567747056 1160470232 /nfs/dbraw/zinc/47/02/32/1160470232.db2.gz UVOCVYVTXUSHSK-ZIAGYGMSSA-N 1 1 313.398 0.859 20 5 DCBDMO CCOCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001567747056 1160470234 /nfs/dbraw/zinc/47/02/34/1160470234.db2.gz UVOCVYVTXUSHSK-ZIAGYGMSSA-N 1 1 313.398 0.859 20 5 DCBDMO CC[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000160919570 523429428 /nfs/dbraw/zinc/42/94/28/523429428.db2.gz FMMPMDSYLKYZMS-SNVBAGLBSA-N 1 1 311.342 0.501 20 5 DCBDMO CC[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000160919570 523429435 /nfs/dbraw/zinc/42/94/35/523429435.db2.gz FMMPMDSYLKYZMS-SNVBAGLBSA-N 1 1 311.342 0.501 20 5 DCBDMO Cc1[nH]nc(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000266219790 525465584 /nfs/dbraw/zinc/46/55/84/525465584.db2.gz LKNZGNDRFHIOFM-LLVKDONJSA-N 1 1 323.353 0.421 20 5 DCBDMO CCCc1n[nH]c(C(=O)NC[C@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000330707940 528548242 /nfs/dbraw/zinc/54/82/42/528548242.db2.gz VDZAZYTVVUTXEZ-JTQLQIEISA-N 1 1 324.385 0.246 20 5 DCBDMO CCCc1n[nH]c(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000330707940 528548246 /nfs/dbraw/zinc/54/82/46/528548246.db2.gz VDZAZYTVVUTXEZ-JTQLQIEISA-N 1 1 324.385 0.246 20 5 DCBDMO C[N@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736858887 598503764 /nfs/dbraw/zinc/50/37/64/598503764.db2.gz VLWNGFUHLVRABS-SECBINFHSA-N 1 1 318.341 0.924 20 5 DCBDMO CC[N@H+]1C[C@H](C)[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821241859 606720134 /nfs/dbraw/zinc/72/01/34/606720134.db2.gz PIOLKXQEWHPXRW-WCBMZHEXSA-N 1 1 318.341 0.922 20 5 DCBDMO C[N@@H+]1CC=C(CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000826021945 608586839 /nfs/dbraw/zinc/58/68/39/608586839.db2.gz GBWPLQHHPVFFBO-UHFFFAOYSA-N 1 1 316.325 0.844 20 5 DCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](CCc2ccns2)CC1 ZINC000981138701 661085560 /nfs/dbraw/zinc/08/55/60/661085560.db2.gz ZCWXNWKHAZXYCA-CHWSQXEVSA-N 1 1 324.406 0.885 20 5 DCBDMO O=[N+]([O-])c1c2nonc2ccc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000893159712 659799169 /nfs/dbraw/zinc/79/91/69/659799169.db2.gz STNCAJAEIQHHSS-VIFPVBQESA-N 1 1 305.294 0.652 20 5 DCBDMO O=[N+]([O-])c1c2nonc2ccc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000893159712 659799170 /nfs/dbraw/zinc/79/91/70/659799170.db2.gz STNCAJAEIQHHSS-VIFPVBQESA-N 1 1 305.294 0.652 20 5 DCBDMO Cc1nn(C)c(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000726163829 661652385 /nfs/dbraw/zinc/65/23/85/661652385.db2.gz OEKRXXLYOAQOKD-WDEREUQCSA-N 1 1 323.353 0.230 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)N2Cc1cncs1 ZINC001029305023 662098838 /nfs/dbraw/zinc/09/88/38/662098838.db2.gz QSZZBYRAYPWWMS-LYIQGSDWSA-N 1 1 322.390 0.984 20 5 DCBDMO Cc1nonc1CN(C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985431049 662443195 /nfs/dbraw/zinc/44/31/95/662443195.db2.gz LQDRDBRVXDCOQU-DGCLKSJQSA-N 1 1 323.353 0.466 20 5 DCBDMO COc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[N@@H+](C)CCO)c1 ZINC000912608335 664193670 /nfs/dbraw/zinc/19/36/70/664193670.db2.gz GFTZVHYNJSQXRU-UHFFFAOYSA-N 1 1 311.338 0.600 20 5 DCBDMO C[N@@H+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@H](CO)C1 ZINC000912746964 664220664 /nfs/dbraw/zinc/22/06/64/664220664.db2.gz WGJLGGKKNSYKJA-LBPRGKRZSA-N 1 1 323.349 0.499 20 5 DCBDMO C[N@H+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@H](CO)C1 ZINC000912746964 664220665 /nfs/dbraw/zinc/22/06/65/664220665.db2.gz WGJLGGKKNSYKJA-LBPRGKRZSA-N 1 1 323.349 0.499 20 5 DCBDMO C[N@H+]1C[C@@]2(C)CN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@]2(C)C1 ZINC000913292061 664298922 /nfs/dbraw/zinc/29/89/22/664298922.db2.gz YNGQJHWTOLCCHJ-OKILXGFUSA-N 1 1 307.354 0.592 20 5 DCBDMO Cn1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000997773563 665336194 /nfs/dbraw/zinc/33/61/94/665336194.db2.gz WGMOKYXPWGGOAT-ZIAGYGMSSA-N 1 1 321.381 0.414 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000996442034 666786900 /nfs/dbraw/zinc/78/69/00/666786900.db2.gz USDCFUZXWYOBEQ-ZIAGYGMSSA-N 1 1 311.382 0.659 20 5 DCBDMO O=[N+]([O-])c1ccc2oc(CN3CCNCC[NH2+]CC3)nc2c1 ZINC000923460548 667538281 /nfs/dbraw/zinc/53/82/81/667538281.db2.gz FLEREKGQHXZODK-UHFFFAOYSA-N 1 1 305.338 0.731 20 5 DCBDMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)c1ccc([N+](=O)[O-])cn1 ZINC000885873812 667715203 /nfs/dbraw/zinc/71/52/03/667715203.db2.gz ZQVDRUZQOAVVIO-GFCCVEGCSA-N 1 1 320.349 0.973 20 5 DCBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)[C@H]1C[N@H+](C)CCO1 ZINC000758384044 668171219 /nfs/dbraw/zinc/17/12/19/668171219.db2.gz PSUGVWRVKUKGQE-GZMMTYOYSA-N 1 1 309.326 0.021 20 5 DCBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)[C@H]1C[N@@H+](C)CCO1 ZINC000758384044 668171222 /nfs/dbraw/zinc/17/12/22/668171222.db2.gz PSUGVWRVKUKGQE-GZMMTYOYSA-N 1 1 309.326 0.021 20 5 DCBDMO O=C(CC[NH+]1CCOCC1)NCCc1cccc([N+](=O)[O-])c1 ZINC000759993232 668249484 /nfs/dbraw/zinc/24/94/84/668249484.db2.gz XRLZWLVNNFZSCD-UHFFFAOYSA-N 1 1 307.350 0.976 20 5 DCBDMO Cn1cc(C[N@@H+]2CC[C@H](CN3CCOC3=O)C2)c([N+](=O)[O-])n1 ZINC000877554068 668628544 /nfs/dbraw/zinc/62/85/44/668628544.db2.gz CXSBIUHHNNQDJS-JTQLQIEISA-N 1 1 309.326 0.602 20 5 DCBDMO Cn1cc(C[N@H+]2CC[C@H](CN3CCOC3=O)C2)c([N+](=O)[O-])n1 ZINC000877554068 668628546 /nfs/dbraw/zinc/62/85/46/668628546.db2.gz CXSBIUHHNNQDJS-JTQLQIEISA-N 1 1 309.326 0.602 20 5 DCBDMO Cn1nnnc1CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000877949185 668663192 /nfs/dbraw/zinc/66/31/92/668663192.db2.gz WRMWLXDFDJIMEQ-UHFFFAOYSA-N 1 1 317.353 0.483 20 5 DCBDMO Cc1nn(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1[N+](=O)[O-] ZINC000779865358 668945776 /nfs/dbraw/zinc/94/57/76/668945776.db2.gz LLFPDCAULBFTCK-CQSZACIVSA-N 1 1 322.413 0.769 20 5 DCBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)C[C@]1(O)CCOC1 ZINC000930441005 669018049 /nfs/dbraw/zinc/01/80/49/669018049.db2.gz QIUCGTWNCMGUKL-GOEBONIOSA-N 1 1 324.377 0.972 20 5 DCBDMO O=[N+]([O-])c1ccc(Br)c(C[NH2+]C(CO)CO)c1 ZINC000930626890 669050279 /nfs/dbraw/zinc/05/02/79/669050279.db2.gz ZUAOUTSMWVKDSZ-UHFFFAOYSA-N 1 1 305.128 0.800 20 5 DCBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@H+](C)[C@H](CO)C1 ZINC000931405405 669194297 /nfs/dbraw/zinc/19/42/97/669194297.db2.gz BGMVFNYPKIQRIM-FZMZJTMJSA-N 1 1 322.365 0.530 20 5 DCBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000931405405 669194299 /nfs/dbraw/zinc/19/42/99/669194299.db2.gz BGMVFNYPKIQRIM-FZMZJTMJSA-N 1 1 322.365 0.530 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000932902586 669436195 /nfs/dbraw/zinc/43/61/95/669436195.db2.gz FQTLFROFKGWPLH-LBPRGKRZSA-N 1 1 309.370 0.900 20 5 DCBDMO COC(=O)[C@]12C[N@H+](Cn3cc([N+](=O)[O-])c(C)n3)C[C@H]1COCC2 ZINC000794681549 669859500 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PDQRBVDDKWXYHV-FZMZJTMJSA-N 1 1 305.334 0.981 20 5 DCBDMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000841455315 671933305 /nfs/dbraw/zinc/93/33/05/671933305.db2.gz SKMYTLJNSTUOQL-WDEREUQCSA-N 1 1 322.365 0.704 20 5 DCBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000841455315 671933307 /nfs/dbraw/zinc/93/33/07/671933307.db2.gz SKMYTLJNSTUOQL-WDEREUQCSA-N 1 1 322.365 0.704 20 5 DCBDMO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000846514893 672323581 /nfs/dbraw/zinc/32/35/81/672323581.db2.gz BMOTTXCTXWKILE-LLVKDONJSA-N 1 1 309.297 0.625 20 5 DCBDMO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000846514893 672323583 /nfs/dbraw/zinc/32/35/83/672323583.db2.gz BMOTTXCTXWKILE-LLVKDONJSA-N 1 1 309.297 0.625 20 5 DCBDMO Cc1ncsc1CC[NH2+]CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001691314932 1157640189 /nfs/dbraw/zinc/64/01/89/1157640189.db2.gz MFNWOOPDEHEKCE-GHMZBOCLSA-N 1 1 312.395 0.707 20 5 DCBDMO CCOCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001568249803 1160612922 /nfs/dbraw/zinc/61/29/22/1160612922.db2.gz JRDFMYLYIUUNQV-CHWSQXEVSA-N 1 1 311.382 0.613 20 5 DCBDMO C[C@@H]1[C@H](CO)CCN1C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001576574743 1164400967 /nfs/dbraw/zinc/40/09/67/1164400967.db2.gz YGOIIAFFWILTDN-JRPNMDOOSA-N 1 1 307.350 0.998 20 5 DCBDMO C[C@@H]1CC[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C[C@H]1O ZINC001590271587 1166831598 /nfs/dbraw/zinc/83/15/98/1166831598.db2.gz IQDRFHPVVCUACL-NOZJJQNGSA-N 1 1 318.337 0.978 20 5 DCBDMO C[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@@H]1CO ZINC001590272166 1166834858 /nfs/dbraw/zinc/83/48/58/1166834858.db2.gz MJRSJVSETGTNKH-NOZJJQNGSA-N 1 1 318.337 0.978 20 5 DCBDMO C[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@@H]1CO ZINC001590272170 1166835622 /nfs/dbraw/zinc/83/56/22/1166835622.db2.gz MJRSJVSETGTNKH-TVQRCGJNSA-N 1 1 318.337 0.978 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(c3ncc(-c4nn[nH]n4)cc3[N+](=O)[O-])C[C@@H]21 ZINC001591195995 1167145874 /nfs/dbraw/zinc/14/58/74/1167145874.db2.gz HUIZKKZHRDMQIS-KCJUWKMLSA-N 1 1 316.325 0.310 20 5 DCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC001593467057 1167857242 /nfs/dbraw/zinc/85/72/42/1167857242.db2.gz LEEZCSNSZBPMHS-GFCCVEGCSA-N 1 1 316.321 0.732 20 5 DCBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001636511572 1171739831 /nfs/dbraw/zinc/73/98/31/1171739831.db2.gz YLMQXTPREGCWIZ-LBPRGKRZSA-N 1 1 322.365 0.699 20 5 DCBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001636511572 1171739836 /nfs/dbraw/zinc/73/98/36/1171739836.db2.gz YLMQXTPREGCWIZ-LBPRGKRZSA-N 1 1 322.365 0.699 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(c3nccc(C(N)=O)c3[N+](=O)[O-])CC[C@@H]21 ZINC001640289205 1171874081 /nfs/dbraw/zinc/87/40/81/1171874081.db2.gz OXRWSJJYUGOUSA-KOLCDFICSA-N 1 1 305.338 0.619 20 5 DCBDMO COCC(=O)NC1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC001641516923 1171918241 /nfs/dbraw/zinc/91/82/41/1171918241.db2.gz YTPFDZXOKSWLQK-UHFFFAOYSA-N 1 1 311.342 0.055 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)n1 ZINC001644702506 1172016463 /nfs/dbraw/zinc/01/64/63/1172016463.db2.gz GFKHQZCGBCEKKT-WCQYABFASA-N 1 1 320.349 0.579 20 5 DCBDMO CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC[N@@H+](C)CC1 ZINC001652666371 1173773509 /nfs/dbraw/zinc/77/35/09/1173773509.db2.gz JIOPKLPLNWYHCP-UHFFFAOYSA-N 1 1 321.381 0.496 20 5 DCBDMO COc1c(O)ccc(C[NH2+][C@H]2CCC(=O)N(C)C2=O)c1[N+](=O)[O-] ZINC001652707721 1173775354 /nfs/dbraw/zinc/77/53/54/1173775354.db2.gz ODEHGEWHKFUJKD-VIFPVBQESA-N 1 1 323.305 0.546 20 5 DCBDMO COC(=O)C1(O)CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC001653805659 1173794003 /nfs/dbraw/zinc/79/40/03/1173794003.db2.gz LZMUSZAPCFLPOL-UHFFFAOYSA-N 1 1 312.326 0.100 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](CO)[C@H](O)C1 ZINC001653845578 1173794856 /nfs/dbraw/zinc/79/48/56/1173794856.db2.gz VTVJMKALWWBARG-BXUZGUMPSA-N 1 1 323.349 0.517 20 5 DCBDMO C[C@]1(CO)C[C@H](O)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001654291695 1173804180 /nfs/dbraw/zinc/80/41/80/1173804180.db2.gz ZPRQWNUGSMGGDE-DZGCQCFKSA-N 1 1 323.349 0.741 20 5 DCBDMO COc1c(O)ccc(C[N@H+](CCO)CCCO)c1[N+](=O)[O-] ZINC001657494620 1173912276 /nfs/dbraw/zinc/91/22/76/1173912276.db2.gz MNOMBUZOFLBSOM-UHFFFAOYSA-N 1 1 300.311 0.486 20 5 DCBDMO COc1c(O)ccc(C[N@@H+](CCO)CCCO)c1[N+](=O)[O-] ZINC001657494620 1173912278 /nfs/dbraw/zinc/91/22/78/1173912278.db2.gz MNOMBUZOFLBSOM-UHFFFAOYSA-N 1 1 300.311 0.486 20 5 DCBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC001659064042 1173928130 /nfs/dbraw/zinc/92/81/30/1173928130.db2.gz IQLCEGHDSKRNNZ-CHWSQXEVSA-N 1 1 324.381 0.143 20 5 DCBDMO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+][C@@H]2CCn3ccnc32)cc1 ZINC001660657483 1174032420 /nfs/dbraw/zinc/03/24/20/1174032420.db2.gz OXCYJYNBENAPTP-MGPQQGTHSA-N 1 1 318.333 0.920 20 5 DCBDMO C[C@H]1CCC[N@H+]1CCNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001680390979 1175814351 /nfs/dbraw/zinc/81/43/51/1175814351.db2.gz BPDASYFFAZPPPD-NSHDSACASA-N 1 1 310.358 0.575 20 5 DCBDMO C[N@@H+](CCCNC(=O)CC(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001712940170 1180568992 /nfs/dbraw/zinc/56/89/92/1180568992.db2.gz TXQUZNVZTZQTGX-UHFFFAOYSA-N 1 1 308.338 0.408 20 5 DCBDMO CC1([NH2+]CCn2cccn2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001733862647 1186479778 /nfs/dbraw/zinc/47/97/78/1186479778.db2.gz KKDFRDFWSYXQST-CHWSQXEVSA-N 1 1 321.381 0.519 20 5 DCBDMO Cc1cncc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001754120290 1188749364 /nfs/dbraw/zinc/74/93/64/1188749364.db2.gz WDSJVHXBZUSLEO-DTSKHDKYSA-N 1 1 304.350 0.817 20 5 DCBDMO Nc1cc([N+](=O)[O-])cnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165037606 721916793 /nfs/dbraw/zinc/91/67/93/721916793.db2.gz HJPVXAQRAZIPGH-GFCCVEGCSA-N 1 1 307.354 0.873 20 5 DCBDMO Cc1nc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)ncc1[N+](=O)[O-] ZINC001164967946 722076897 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O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([N@@H+](CCO)CCCF)CC1 ZINC001098364722 758755189 /nfs/dbraw/zinc/75/51/89/758755189.db2.gz AUJMJVASKBIVIS-CHWSQXEVSA-N 1 1 317.361 0.297 20 5 DCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@@H+](CCO)CC2CC2)CC1 ZINC001098364738 758755199 /nfs/dbraw/zinc/75/51/99/758755199.db2.gz BHQAJKWQXAEUOG-ZIAGYGMSSA-N 1 1 311.382 0.347 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([N@H+](CCO)CC2CC2)CC1 ZINC001098364738 758755203 /nfs/dbraw/zinc/75/52/03/758755203.db2.gz BHQAJKWQXAEUOG-ZIAGYGMSSA-N 1 1 311.382 0.347 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([N@@H+](CCO)CC2CC2)CC1 ZINC001098364738 758755204 /nfs/dbraw/zinc/75/52/04/758755204.db2.gz BHQAJKWQXAEUOG-ZIAGYGMSSA-N 1 1 311.382 0.347 20 5 DCBDMO Cn1cncc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086083087 759691318 /nfs/dbraw/zinc/69/13/18/759691318.db2.gz NLQMQJJEWJXLPC-LYIQGSDWSA-N 1 1 307.354 0.070 20 5 DCBDMO CCn1ccnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086363433 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0.613 20 5 DCBDMO O=C(CCc1c[nH]nn1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001134013907 765300595 /nfs/dbraw/zinc/30/05/95/765300595.db2.gz HRMUKPHRVLCTNA-UHFFFAOYSA-N 1 1 318.337 0.552 20 5 DCBDMO CC[C@@]([NH3+])(CO)Nc1nc(SC)nc(OC)c1[N+](=O)[O-] ZINC001170857556 766143105 /nfs/dbraw/zinc/14/31/05/766143105.db2.gz FRPMFLIPJUPNOH-JTQLQIEISA-N 1 1 303.344 0.585 20 5 DCBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C)n2)C1 ZINC001136822944 766548424 /nfs/dbraw/zinc/54/84/24/766548424.db2.gz SLAXGWGIGPAPQW-LLVKDONJSA-N 1 1 308.338 0.749 20 5 DCBDMO O=C(CC[NH+]1CCOCC1)NCCNc1ccc([N+](=O)[O-])cn1 ZINC001093732690 768707109 /nfs/dbraw/zinc/70/71/09/768707109.db2.gz YKBBVYLMWCDGII-UHFFFAOYSA-N 1 1 323.353 0.240 20 5 DCBDMO Cn1nccc1C[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178458683 770759890 /nfs/dbraw/zinc/75/98/90/770759890.db2.gz SEWQAVIQHURVCE-ZIAGYGMSSA-N 1 1 323.397 0.852 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])cnc3N)[C@@H]2C1 ZINC001181441737 771292003 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O=[N+]([O-])c1ccc2[nH]c(NC[C@@]3(CO)COCC[NH2+]3)nc2c1 ZINC001164047089 772608846 /nfs/dbraw/zinc/60/88/46/772608846.db2.gz XQRYIVOXWQMDPI-CYBMUJFWSA-N 1 1 307.310 0.234 20 5 DCBDMO COc1ccc2ncc([N+](=O)[O-])c(NCC[N@@H+](C)CCO)c2c1 ZINC001164120735 772614496 /nfs/dbraw/zinc/61/44/96/772614496.db2.gz ZWSGIZZHFXAPFZ-UHFFFAOYSA-N 1 1 320.349 0.910 20 5 DCBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(F)(F)[C@@H]([NH3+])C1 ZINC001164319911 772645875 /nfs/dbraw/zinc/64/58/75/772645875.db2.gz SPHHIWAFZBXTEG-VIFPVBQESA-N 1 1 316.264 0.949 20 5 DCBDMO N[C@H]1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1(F)F ZINC001166961762 772889865 /nfs/dbraw/zinc/88/98/65/772889865.db2.gz RYMQAUMVHFKPGO-VIFPVBQESA-N 1 1 314.296 0.244 20 5 DCBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001206837749 773111200 /nfs/dbraw/zinc/11/12/00/773111200.db2.gz HKNFKISPMINUGO-TXEJJXNPSA-N 1 1 320.349 0.230 20 5 DCBDMO C[N@@H+]1CCO[C@@H](COCC(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224990329 775630084 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C[N@@H+](CCNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001325821515 947937021 /nfs/dbraw/zinc/93/70/21/947937021.db2.gz NQACUXHUWMSLIJ-UHFFFAOYSA-N 1 1 320.349 0.421 20 5 DCBDMO O=C(N[C@H]1C[C@H](C[NH2+]CCc2ccns2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001330595739 950535824 /nfs/dbraw/zinc/53/58/24/950535824.db2.gz YMIVIVUQICGLMX-FPQZTECRSA-N 1 1 324.406 0.835 20 5 DCBDMO C[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)N1CCN(C)CC1 ZINC001335368687 952527211 /nfs/dbraw/zinc/52/72/11/952527211.db2.gz RRZULZFRBWZXNU-XJKSGUPXSA-N 1 1 322.409 0.854 20 5 DCBDMO CC[N@@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1NC ZINC001342767731 953307027 /nfs/dbraw/zinc/30/70/27/953307027.db2.gz KSNBZYLXBXJGFD-UHFFFAOYSA-N 1 1 310.354 0.681 20 5 DCBDMO CC[N@H+]1CCN(c2nnc(C[N+](=O)[O-])n2CCOC)C[C@H]1C ZINC001343165945 953326056 /nfs/dbraw/zinc/32/60/56/953326056.db2.gz MNPFDDBTIFJSHU-LLVKDONJSA-N 1 1 312.374 0.232 20 5 DCBDMO CC(=O)NCC(=O)NCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001480837156 958297644 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DCBDMO C[C@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000193626596 395774551 /nfs/dbraw/zinc/77/45/51/395774551.db2.gz VKNNQBVMPYQJDX-ZANVPECISA-N 1 1 306.322 0.648 20 5 DCBDMO C[N@@H+]1C[C@H]2CN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000194921973 395811778 /nfs/dbraw/zinc/81/17/78/395811778.db2.gz WTXDCZHDWCMBFB-PHIMTYICSA-N 1 1 318.333 0.553 20 5 DCBDMO C[NH+]1CCN(CC(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000122867248 395889587 /nfs/dbraw/zinc/88/95/87/395889587.db2.gz YYWNYSJBHGXICZ-UHFFFAOYSA-N 1 1 318.337 0.657 20 5 DCBDMO C[N@@H+](CCNC(=O)NCCn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000150922879 395975789 /nfs/dbraw/zinc/97/57/89/395975789.db2.gz ZVVGAAQHHDVIQM-UHFFFAOYSA-N 1 1 324.385 0.965 20 5 DCBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000277215200 396055515 /nfs/dbraw/zinc/05/55/15/396055515.db2.gz VZEDWTBXQHABSE-LBPRGKRZSA-N 1 1 322.365 0.579 20 5 DCBDMO O=C(C[N@@H+](CCO)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000076992767 396211485 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C[N@@H+](CCOCCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000282280265 396276851 /nfs/dbraw/zinc/27/68/51/396276851.db2.gz DWBDMVHZIOADHU-CYBMUJFWSA-N 1 1 314.338 0.275 20 5 DCBDMO CCCc1n[nH]c(C(=O)NCC[N@@H+](CC)CCO)c1[N+](=O)[O-] ZINC000183918961 396277381 /nfs/dbraw/zinc/27/73/81/396277381.db2.gz HYMBSMUYNWEPRI-UHFFFAOYSA-N 1 1 313.358 0.314 20 5 DCBDMO Nc1ccc(N2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)c[nH+]1 ZINC000264633461 396297803 /nfs/dbraw/zinc/29/78/03/396297803.db2.gz LEUDKVHKBCUWLD-UHFFFAOYSA-N 1 1 316.325 0.271 20 5 DCBDMO C[C@@H](O)C[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000186868472 396359518 /nfs/dbraw/zinc/35/95/18/396359518.db2.gz IJOUNGFFCQCEPQ-SNVBAGLBSA-N 1 1 308.338 0.316 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291654538 396504665 /nfs/dbraw/zinc/50/46/65/396504665.db2.gz FLYUSNXZQFETIW-LBPRGKRZSA-N 1 1 303.322 0.900 20 5 DCBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1COCCO1 ZINC000595737483 396654671 /nfs/dbraw/zinc/65/46/71/396654671.db2.gz QRYNUPNYXPCLKG-GFCCVEGCSA-N 1 1 309.322 0.541 20 5 DCBDMO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1COCCO1 ZINC000595737483 396654675 /nfs/dbraw/zinc/65/46/75/396654675.db2.gz QRYNUPNYXPCLKG-GFCCVEGCSA-N 1 1 309.322 0.541 20 5 DCBDMO C[N@H+]1CC[C@]2(C1)CCCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000595506436 396619795 /nfs/dbraw/zinc/61/97/95/396619795.db2.gz CHEYJHDBYCGYDQ-CABCVRRESA-N 1 1 323.397 0.570 20 5 DCBDMO C[N@H+]1CCC[C@H](N2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])CC2)C1 ZINC000596129262 396722443 /nfs/dbraw/zinc/72/24/43/396722443.db2.gz SEKDWEZJPYPGAZ-LBPRGKRZSA-N 1 1 321.381 0.912 20 5 DCBDMO CC(C)CO[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000305044631 396734584 /nfs/dbraw/zinc/73/45/84/396734584.db2.gz KVSBWWRZHJFHEV-ZIAGYGMSSA-N 1 1 312.370 0.899 20 5 DCBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000610808396 396766287 /nfs/dbraw/zinc/76/62/87/396766287.db2.gz HMQIZKQDYLIHQO-ZDUSSCGKSA-N 1 1 319.365 0.733 20 5 DCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000597711914 397071987 /nfs/dbraw/zinc/07/19/87/397071987.db2.gz XLTRLBBTIMBVQX-CQSZACIVSA-N 1 1 307.354 0.886 20 5 DCBDMO COC(=O)[C@H]1C[C@H](O)C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000592206544 397129726 /nfs/dbraw/zinc/12/97/26/397129726.db2.gz ZOWIGGAUTXVFEJ-AAEUAGOBSA-N 1 1 324.333 0.829 20 5 DCBDMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000592206263 397130359 /nfs/dbraw/zinc/13/03/59/397130359.db2.gz YMOIWOUCJQLPNB-NWDGAFQWSA-N 1 1 324.333 0.829 20 5 DCBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH2+][C@H](C)C1 ZINC000592369257 397162623 /nfs/dbraw/zinc/16/26/23/397162623.db2.gz FWFUTHRXLZWZQS-SECBINFHSA-N 1 1 315.351 0.586 20 5 DCBDMO CCOc1ccc(NC(=O)Cn2nnnc2C[NH3+])c([N+](=O)[O-])c1 ZINC000592172349 397113084 /nfs/dbraw/zinc/11/30/84/397113084.db2.gz DLHNWJDDYMGKCS-UHFFFAOYSA-N 1 1 321.297 0.077 20 5 DCBDMO COC(=O)c1ccnc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000598622962 397262156 /nfs/dbraw/zinc/26/21/56/397262156.db2.gz URFBDQNWVPZQLF-AOOOYVTPSA-N 1 1 306.322 0.774 20 5 DCBDMO COC(=O)Cc1ccc(NCC[N@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000599199162 397361094 /nfs/dbraw/zinc/36/10/94/397361094.db2.gz FVNUREOGSFEMAB-LBPRGKRZSA-N 1 1 323.349 0.789 20 5 DCBDMO Cc1ccc(NCCCNc2nc(N)nc(N)[nH+]2)c([N+](=O)[O-])c1 ZINC000599047371 397327723 /nfs/dbraw/zinc/32/77/23/397327723.db2.gz UEAQUJIPNVXLFR-UHFFFAOYSA-N 1 1 318.341 0.249 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCSC[C@H]1CCO ZINC000602786245 397485592 /nfs/dbraw/zinc/48/55/92/397485592.db2.gz DZUBSINVTZYZFR-LLVKDONJSA-N 1 1 300.384 0.900 20 5 DCBDMO COc1cc(CN2CC[N@H+](C)C[C@H]2CO)c([N+](=O)[O-])cc1F ZINC000602904734 397519004 /nfs/dbraw/zinc/51/90/04/397519004.db2.gz KZWYTLZHRRNDRH-NSHDSACASA-N 1 1 313.329 0.851 20 5 DCBDMO COc1cc(CN2CC[N@@H+](C)C[C@H]2CO)c([N+](=O)[O-])cc1F ZINC000602904734 397519008 /nfs/dbraw/zinc/51/90/08/397519008.db2.gz KZWYTLZHRRNDRH-NSHDSACASA-N 1 1 313.329 0.851 20 5 DCBDMO Cc1nn(C)c(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000609412961 397774812 /nfs/dbraw/zinc/77/48/12/397774812.db2.gz JCKLDZGZNOKUDR-SNVBAGLBSA-N 1 1 307.354 0.851 20 5 DCBDMO CCc1nn(C)c(N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000129165544 158286579 /nfs/dbraw/zinc/28/65/79/158286579.db2.gz OONVLSWSCCHAKV-GHMZBOCLSA-N 1 1 311.386 0.782 20 5 DCBDMO CCc1nn(C)c(N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000129165544 158286583 /nfs/dbraw/zinc/28/65/83/158286583.db2.gz OONVLSWSCCHAKV-GHMZBOCLSA-N 1 1 311.386 0.782 20 5 DCBDMO CN(C(=O)C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000367779243 159356258 /nfs/dbraw/zinc/35/62/58/159356258.db2.gz MXSYPAXYHNETSL-WDNDVIMCSA-N 1 1 305.334 0.728 20 5 DCBDMO CN(C(=O)C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000367779243 159356262 /nfs/dbraw/zinc/35/62/62/159356262.db2.gz MXSYPAXYHNETSL-WDNDVIMCSA-N 1 1 305.334 0.728 20 5 DCBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](CO)C(C)(C)C ZINC000246462584 287084114 /nfs/dbraw/zinc/08/41/14/287084114.db2.gz FOCMEZMVVJGRMO-VXGBXAGGSA-N 1 1 300.359 0.491 20 5 DCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000356286570 287200667 /nfs/dbraw/zinc/20/06/67/287200667.db2.gz XGGJZIFVUMYURA-AWEZNQCLSA-N 1 1 307.354 0.886 20 5 DCBDMO NC(=O)C[NH+]1CCC(Nc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000025151161 415159753 /nfs/dbraw/zinc/15/97/53/415159753.db2.gz LBQUZSIBQQSIIR-UHFFFAOYSA-N 1 1 324.366 0.666 20 5 DCBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000268248071 415183831 /nfs/dbraw/zinc/18/38/31/415183831.db2.gz WKMVYUJICMHWPW-QPUJVOFHSA-N 1 1 306.322 0.908 20 5 DCBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000272601405 415289996 /nfs/dbraw/zinc/28/99/96/415289996.db2.gz XNYOVONOFVNNTR-LLVKDONJSA-N 1 1 309.322 0.751 20 5 DCBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272601405 415290014 /nfs/dbraw/zinc/29/00/14/415290014.db2.gz XNYOVONOFVNNTR-LLVKDONJSA-N 1 1 309.322 0.751 20 5 DCBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1COC[C@H]1O ZINC000352816214 415335108 /nfs/dbraw/zinc/33/51/08/415335108.db2.gz NIGFHOYABAIRKR-CHWSQXEVSA-N 1 1 309.322 0.615 20 5 DCBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000343178128 415485361 /nfs/dbraw/zinc/48/53/61/415485361.db2.gz AFUISYXUQVGYLU-LLVKDONJSA-N 1 1 308.338 0.357 20 5 DCBDMO CCc1nn(C)c(N2CCN(c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000289518338 415709803 /nfs/dbraw/zinc/70/98/03/415709803.db2.gz CZJFZTZRFVRBHJ-UHFFFAOYSA-N 1 1 305.342 0.940 20 5 DCBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)CN1CC[NH+](C)CC1 ZINC000122099680 415827718 /nfs/dbraw/zinc/82/77/18/415827718.db2.gz OUBXGPSELUILMJ-LLVKDONJSA-N 1 1 310.354 0.801 20 5 DCBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356455970 415924031 /nfs/dbraw/zinc/92/40/31/415924031.db2.gz HJMMEUKMNKJYEE-SNVBAGLBSA-N 1 1 311.342 0.169 20 5 DCBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)[C@H](C)C1 ZINC000356894184 416000842 /nfs/dbraw/zinc/00/08/42/416000842.db2.gz KISMITZNQKIKRP-ZJUUUORDSA-N 1 1 323.353 0.099 20 5 DCBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)[C@H](C)C1 ZINC000356894184 416000846 /nfs/dbraw/zinc/00/08/46/416000846.db2.gz KISMITZNQKIKRP-ZJUUUORDSA-N 1 1 323.353 0.099 20 5 DCBDMO CNC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000299088895 416050565 /nfs/dbraw/zinc/05/05/65/416050565.db2.gz LCZWKKNGIXHHSY-JSGCOSHPSA-N 1 1 323.349 0.545 20 5 DCBDMO CNC(=O)[C@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000299088902 416051016 /nfs/dbraw/zinc/05/10/16/416051016.db2.gz LCZWKKNGIXHHSY-TZMCWYRMSA-N 1 1 323.349 0.545 20 5 DCBDMO O=C(C[N@@H+](CCO)C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000298785353 416028468 /nfs/dbraw/zinc/02/84/68/416028468.db2.gz XDWVSGXRPXYHEJ-UHFFFAOYSA-N 1 1 323.305 0.719 20 5 DCBDMO O=C(C[N@H+](CCO)C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000298785353 416028469 /nfs/dbraw/zinc/02/84/69/416028469.db2.gz XDWVSGXRPXYHEJ-UHFFFAOYSA-N 1 1 323.305 0.719 20 5 DCBDMO NC(=O)c1ccnc(N[C@H]2CCn3cc[nH+]c3C2)c1[N+](=O)[O-] ZINC000357464566 416084715 /nfs/dbraw/zinc/08/47/15/416084715.db2.gz FQCPSICJJQVINO-QMMMGPOBSA-N 1 1 302.294 0.712 20 5 DCBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000301813628 416094334 /nfs/dbraw/zinc/09/43/34/416094334.db2.gz HZELPLCLVUUJGI-ZDUSSCGKSA-N 1 1 319.365 0.908 20 5 DCBDMO COc1cc(CNC[C@]2(O)CC[N@@H+](C)C2)c([N+](=O)[O-])cc1O ZINC000358163216 416204477 /nfs/dbraw/zinc/20/44/77/416204477.db2.gz IRQLVUIOFBPXQZ-CQSZACIVSA-N 1 1 311.338 0.465 20 5 DCBDMO CC[N@@H+](CCO)CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000183954781 416250253 /nfs/dbraw/zinc/25/02/53/416250253.db2.gz WCDZLIQEAPHKJJ-UHFFFAOYSA-N 1 1 309.366 0.958 20 5 DCBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCOCC3(CCOCC3)C2)c1 ZINC000184091314 416251898 /nfs/dbraw/zinc/25/18/98/416251898.db2.gz HREQQHHHXNQDPL-UHFFFAOYSA-N 1 1 310.354 0.920 20 5 DCBDMO C[C@@H](O)C[NH+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000186625697 416257744 /nfs/dbraw/zinc/25/77/44/416257744.db2.gz DQSGBJOUSISAFD-SNVBAGLBSA-N 1 1 308.338 0.197 20 5 DCBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000189434500 416266867 /nfs/dbraw/zinc/26/68/67/416266867.db2.gz DIFRZUJNDPRBGO-LBPRGKRZSA-N 1 1 311.386 0.568 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCc3cn[nH]c3C2)c1 ZINC000583929952 416485889 /nfs/dbraw/zinc/48/58/89/416485889.db2.gz KWRUCADGENZLHS-ZYHUDNBSSA-N 1 1 306.326 0.022 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCc3cn[nH]c3C2)c1 ZINC000583929949 416486385 /nfs/dbraw/zinc/48/63/85/416486385.db2.gz KWRUCADGENZLHS-CMPLNLGQSA-N 1 1 306.326 0.022 20 5 DCBDMO CC(C)[C@@H](CNc1ccc(N)c([N+](=O)[O-])n1)[NH+]1CCOCC1 ZINC000590569413 416527117 /nfs/dbraw/zinc/52/71/17/416527117.db2.gz JXVKIDOSOOSGGP-GFCCVEGCSA-N 1 1 309.370 1.341 20 5 DCBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])C1 ZINC000557634671 416746092 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20 5 DCBDMO CN(C)C(=O)N[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000451997260 417428654 /nfs/dbraw/zinc/42/86/54/417428654.db2.gz RADNBBZECBBJPZ-LLVKDONJSA-N 1 1 310.358 0.527 20 5 DCBDMO CN(C)C(=O)N[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000451997260 417428662 /nfs/dbraw/zinc/42/86/62/417428662.db2.gz RADNBBZECBBJPZ-LLVKDONJSA-N 1 1 310.358 0.527 20 5 DCBDMO C[C@@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000531044055 417603302 /nfs/dbraw/zinc/60/33/02/417603302.db2.gz KUWCBCNINNDGCF-LLVKDONJSA-N 1 1 320.349 0.991 20 5 DCBDMO C[C@@H]1COCC[N@H+]1C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000576766856 417634162 /nfs/dbraw/zinc/63/41/62/417634162.db2.gz YWOXIHWEXYOMDR-CYBMUJFWSA-N 1 1 323.397 0.976 20 5 DCBDMO C[C@@H]1COCCN1C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000576766856 417634168 /nfs/dbraw/zinc/63/41/68/417634168.db2.gz YWOXIHWEXYOMDR-CYBMUJFWSA-N 1 1 323.397 0.976 20 5 DCBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000579142106 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ZINC000928566140 662131942 /nfs/dbraw/zinc/13/19/42/662131942.db2.gz POMXSXBRCVZWFS-JTQLQIEISA-N 1 1 309.322 0.803 20 5 DCBDMO CCc1nn(C)c(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC000897222328 662405529 /nfs/dbraw/zinc/40/55/29/662405529.db2.gz UFDAVHGFNKLGHE-STQMWFEESA-N 1 1 323.397 0.926 20 5 DCBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CCN(C(=O)C(N)=O)CC1 ZINC000985613822 662492695 /nfs/dbraw/zinc/49/26/95/662492695.db2.gz OXSPKNVBOKEKEN-UHFFFAOYSA-N 1 1 320.349 0.503 20 5 DCBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000901135481 663323993 /nfs/dbraw/zinc/32/39/93/663323993.db2.gz NTXUBCCFWMEJOQ-WCQYABFASA-N 1 1 307.354 0.924 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(C1)CC[NH+](CCCO)CC2 ZINC001040699194 664646811 /nfs/dbraw/zinc/64/68/11/664646811.db2.gz AEFMAWRCBFFWCN-CHWSQXEVSA-N 1 1 311.382 0.349 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2ccccn2)CC1 ZINC000996428716 666790498 /nfs/dbraw/zinc/79/04/98/666790498.db2.gz GNTOFEDDAYQGLF-ZIAGYGMSSA-N 1 1 304.350 0.827 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2cncc(F)c2)CC1 ZINC000996429334 666790891 /nfs/dbraw/zinc/79/08/91/666790891.db2.gz PYYJCOYPYWQWPR-ZIAGYGMSSA-N 1 1 322.340 0.967 20 5 DCBDMO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000869194557 667636256 /nfs/dbraw/zinc/63/62/56/667636256.db2.gz GQYLLLPGRDHTIF-NWDGAFQWSA-N 1 1 323.324 0.554 20 5 DCBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000886591437 667779897 /nfs/dbraw/zinc/77/98/97/667779897.db2.gz UQKFLKAWFKCZAU-NSHDSACASA-N 1 1 310.358 0.375 20 5 DCBDMO C[NH+]1CCN(C(=O)CNc2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000744171011 667822512 /nfs/dbraw/zinc/82/25/12/667822512.db2.gz XSTHCKNTEGYXBP-UHFFFAOYSA-N 1 1 318.337 0.428 20 5 DCBDMO Cc1cc(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)nn1C ZINC000767889572 668591587 /nfs/dbraw/zinc/59/15/87/668591587.db2.gz YMTKEAWIVABPQL-HUUCEWRRSA-N 1 1 320.349 0.821 20 5 DCBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000928563292 668599951 /nfs/dbraw/zinc/59/99/51/668599951.db2.gz PLOQZDDSIDBQOH-VIFPVBQESA-N 1 1 307.306 0.800 20 5 DCBDMO C[N@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000928563292 668599954 /nfs/dbraw/zinc/59/99/54/668599954.db2.gz PLOQZDDSIDBQOH-VIFPVBQESA-N 1 1 307.306 0.800 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CC(=O)NCc1ccco1 ZINC000779410118 668910727 /nfs/dbraw/zinc/91/07/27/668910727.db2.gz RVJIUUVCUDHTRN-UHFFFAOYSA-N 1 1 321.337 0.941 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CC(=O)NCc1ccco1 ZINC000779410118 668910728 /nfs/dbraw/zinc/91/07/28/668910728.db2.gz RVJIUUVCUDHTRN-UHFFFAOYSA-N 1 1 321.337 0.941 20 5 DCBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)C[C@]1(O)CCOC1 ZINC000930441001 669018768 /nfs/dbraw/zinc/01/87/68/669018768.db2.gz QIUCGTWNCMGUKL-GDBMZVCRSA-N 1 1 324.377 0.972 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(CCn3cc([N+](=O)[O-])ccc3=O)CC[C@H]21 ZINC000879577164 669066435 /nfs/dbraw/zinc/06/64/35/669066435.db2.gz HCDMRODRQNVWNZ-TZMCWYRMSA-N 1 1 306.366 0.783 20 5 DCBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cn1cc([N+](=O)[O-])cn1 ZINC000782912774 669131324 /nfs/dbraw/zinc/13/13/24/669131324.db2.gz HHHDFUZXPVAHMH-GFCCVEGCSA-N 1 1 309.370 0.934 20 5 DCBDMO C[N@H+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H]1C(C)(C)C ZINC000880612417 669249382 /nfs/dbraw/zinc/24/93/82/669249382.db2.gz HEPFTTLIDKRAQF-LLVKDONJSA-N 1 1 309.370 0.980 20 5 DCBDMO CS(=O)(=O)CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000785873914 669280271 /nfs/dbraw/zinc/28/02/71/669280271.db2.gz XBBZCOQCLNRQMZ-UHFFFAOYSA-N 1 1 302.356 0.473 20 5 DCBDMO CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C[C@@H]21 ZINC000932062625 669306051 /nfs/dbraw/zinc/30/60/51/669306051.db2.gz MJSRULCAMLRWIP-NTZNESFSSA-N 1 1 308.338 0.922 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000934394520 669600728 /nfs/dbraw/zinc/60/07/28/669600728.db2.gz HCDHCEMERSPTDB-GXSJLCMTSA-N 1 1 307.354 0.841 20 5 DCBDMO CCc1nn(C)c(NCC(=O)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000807960757 670382608 /nfs/dbraw/zinc/38/26/08/670382608.db2.gz MZFMCUOEVKQOAJ-UHFFFAOYSA-N 1 1 310.358 0.077 20 5 DCBDMO Nc1nccc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000847406547 670548848 /nfs/dbraw/zinc/54/88/48/670548848.db2.gz DBBZXTZVXQRVLL-NXEZZACHSA-N 1 1 321.337 0.165 20 5 DCBDMO O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000855402302 670704671 /nfs/dbraw/zinc/70/46/71/670704671.db2.gz XFMXNEBKXMSXGB-RBSFLKMASA-N 1 1 319.361 0.535 20 5 DCBDMO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000855402302 670704672 /nfs/dbraw/zinc/70/46/72/670704672.db2.gz XFMXNEBKXMSXGB-RBSFLKMASA-N 1 1 319.361 0.535 20 5 DCBDMO O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000855402302 670704676 /nfs/dbraw/zinc/70/46/76/670704676.db2.gz XFMXNEBKXMSXGB-RBSFLKMASA-N 1 1 319.361 0.535 20 5 DCBDMO O=[N+]([O-])c1c(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)nc2ccccn21 ZINC000848768101 670724636 /nfs/dbraw/zinc/72/46/36/670724636.db2.gz VOXBVNGNJIREMK-WDEREUQCSA-N 1 1 303.322 0.498 20 5 DCBDMO C[C@@H](NCC(=O)N1CC[NH2+]CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817945562 670955870 /nfs/dbraw/zinc/95/58/70/670955870.db2.gz GIIQJKIGYIMBSF-SNVBAGLBSA-N 1 1 307.354 0.259 20 5 DCBDMO C[C@]1(CO)C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000859831716 671148531 /nfs/dbraw/zinc/14/85/31/671148531.db2.gz ACYHAPQVUHOMPP-OAGGEKHMSA-N 1 1 324.377 0.941 20 5 DCBDMO NC(=O)c1ccc(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000860160654 671185742 /nfs/dbraw/zinc/18/57/42/671185742.db2.gz DISSBDGJYCZWAS-GHMZBOCLSA-N 1 1 305.290 0.299 20 5 DCBDMO NC(=O)c1ccc(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000860160654 671185744 /nfs/dbraw/zinc/18/57/44/671185744.db2.gz DISSBDGJYCZWAS-GHMZBOCLSA-N 1 1 305.290 0.299 20 5 DCBDMO Cc1ccncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020138838 693709762 /nfs/dbraw/zinc/70/97/62/693709762.db2.gz DCOVRJTYCJOLFY-AAVRWANBSA-N 1 1 304.350 0.792 20 5 DCBDMO CCc1[nH]nc(C(=O)N2CC[NH2+]C[C@@H]2CCOC)c1[N+](=O)[O-] ZINC001578243658 1164962922 /nfs/dbraw/zinc/96/29/22/1164962922.db2.gz UPGRFZZBBOZIMM-VIFPVBQESA-N 1 1 311.342 0.331 20 5 DCBDMO Cc1c(CN[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC001579534295 1165339877 /nfs/dbraw/zinc/33/98/77/1165339877.db2.gz DIJAQNYNFIEIOP-GFCCVEGCSA-N 1 1 304.350 0.566 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H]2C(=O)NCC2(C)C)c1 ZINC001620547307 1171403813 /nfs/dbraw/zinc/40/38/13/1171403813.db2.gz LSYGQZMUMMPRED-LBPRGKRZSA-N 1 1 321.333 0.996 20 5 DCBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001627864872 1171513047 /nfs/dbraw/zinc/51/30/47/1171513047.db2.gz BHLYMQYWAOIBPS-NSHDSACASA-N 1 1 322.365 0.754 20 5 DCBDMO NC(=O)[C@H]1CN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])CC[NH2+]1 ZINC001639227226 1171828242 /nfs/dbraw/zinc/82/82/42/1171828242.db2.gz QNEBLSWJXSUCFM-MRVPVSSYSA-N 1 1 318.255 0.877 20 5 DCBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC001641820776 1171929372 /nfs/dbraw/zinc/92/93/72/1171929372.db2.gz QNMRDKRYFZJAHB-LBPRGKRZSA-N 1 1 317.305 0.810 20 5 DCBDMO NC(=O)c1ccnc(NC[C@H]2CCCC[N@H+]2CCO)c1[N+](=O)[O-] ZINC001642713786 1171953355 /nfs/dbraw/zinc/95/33/55/1171953355.db2.gz YTUNQGQJWPDNJK-SNVBAGLBSA-N 1 1 323.353 0.347 20 5 DCBDMO C[C@@H](C(=O)NC[C@]1(CO)COCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC001642788359 1171956105 /nfs/dbraw/zinc/95/61/05/1171956105.db2.gz QXPOMCHKRGHTHT-ABAIWWIYSA-N 1 1 323.349 0.165 20 5 DCBDMO C[N@@H+](CCO)CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC001644751205 1172020327 /nfs/dbraw/zinc/02/03/27/1172020327.db2.gz OKEGEVUDPZAOOL-UHFFFAOYSA-N 1 1 306.322 0.730 20 5 DCBDMO C[N@@H+](CCO)CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001651926228 1173758196 /nfs/dbraw/zinc/75/81/96/1173758196.db2.gz GTHTWEJKKYQZJZ-UHFFFAOYSA-N 1 1 315.301 0.153 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](O)[C@H](CO)C1 ZINC001653845579 1173795142 /nfs/dbraw/zinc/79/51/42/1173795142.db2.gz VTVJMKALWWBARG-FZMZJTMJSA-N 1 1 323.349 0.517 20 5 DCBDMO C[C@]1(CO)C[C@@H](O)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001654291697 1173803149 /nfs/dbraw/zinc/80/31/49/1173803149.db2.gz ZPRQWNUGSMGGDE-UKRRQHHQSA-N 1 1 323.349 0.741 20 5 DCBDMO O=[N+]([O-])c1ccc2oc(CNCC[N@H+]3CC[C@H](O)C3)nc2c1 ZINC001658664814 1173924970 /nfs/dbraw/zinc/92/49/70/1173924970.db2.gz MLITVBJIYRXECG-NSHDSACASA-N 1 1 306.322 0.892 20 5 DCBDMO O=[N+]([O-])c1ccc2oc(CNCC[N@@H+]3CC[C@H](O)C3)nc2c1 ZINC001658664814 1173924975 /nfs/dbraw/zinc/92/49/75/1173924975.db2.gz MLITVBJIYRXECG-NSHDSACASA-N 1 1 306.322 0.892 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)NCCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC001685506128 1176035443 /nfs/dbraw/zinc/03/54/43/1176035443.db2.gz SODLVJZHDITZOQ-CYZMBNFOSA-N 1 1 322.369 0.431 20 5 DCBDMO Cc1ncsc1CC[NH2+]C/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001699257359 1177996758 /nfs/dbraw/zinc/99/67/58/1177996758.db2.gz NXPQWUVJOSAQLJ-JDEDCZITSA-N 1 1 324.406 0.921 20 5 DCBDMO CN(CCC[NH2+]CC(=O)NC(C)(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001699506353 1178170124 /nfs/dbraw/zinc/17/01/24/1178170124.db2.gz JHPVWHLGNWZKLK-GHMZBOCLSA-N 1 1 314.386 0.004 20 5 DCBDMO NC(=O)C(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC001717157183 1182698428 /nfs/dbraw/zinc/69/84/28/1182698428.db2.gz VFXSCVJRARWEGS-UHFFFAOYSA-N 1 1 312.351 0.270 20 5 DCBDMO Cn1cc(C[NH2+]C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCCC2)cn1 ZINC001732392955 1185797922 /nfs/dbraw/zinc/79/79/22/1185797922.db2.gz WYDUJWZMMRWXFS-CHWSQXEVSA-N 1 1 321.381 0.604 20 5 DCBDMO CN(CCC[N@@H+](C)Cc1cnn(C)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001733773056 1186441976 /nfs/dbraw/zinc/44/19/76/1186441976.db2.gz RVRSJVMJZLUPOS-CHWSQXEVSA-N 1 1 309.370 0.366 20 5 DCBDMO CN(CCC[N@H+](C)Cc1cnn(C)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001733773056 1186441981 /nfs/dbraw/zinc/44/19/81/1186441981.db2.gz RVRSJVMJZLUPOS-CHWSQXEVSA-N 1 1 309.370 0.366 20 5 DCBDMO CN(CCC[N@@H+](C)Cc1cnn(C)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001733773056 1186441985 /nfs/dbraw/zinc/44/19/85/1186441985.db2.gz RVRSJVMJZLUPOS-CHWSQXEVSA-N 1 1 309.370 0.366 20 5 DCBDMO CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cn(C)nn1 ZINC001753285819 1188557640 /nfs/dbraw/zinc/55/76/40/1188557640.db2.gz ZYUJQYJXJBLCDV-CHWSQXEVSA-N 1 1 324.385 0.197 20 5 DCBDMO CC(C)[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cn(C)nn1 ZINC001753285819 1188557644 /nfs/dbraw/zinc/55/76/44/1188557644.db2.gz ZYUJQYJXJBLCDV-CHWSQXEVSA-N 1 1 324.385 0.197 20 5 DCBDMO C[N@H+]1CC[C@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC001167273202 747049677 /nfs/dbraw/zinc/04/96/77/747049677.db2.gz WVZKJWCATFWUSU-JTQLQIEISA-N 1 1 308.342 0.337 20 5 DCBDMO COc1ccc(F)cc1C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126943528 750154939 /nfs/dbraw/zinc/15/49/39/750154939.db2.gz PYVMFOVKKWETJV-VXGBXAGGSA-N 1 1 311.313 0.705 20 5 DCBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1ccccc1F ZINC001126943547 750157198 /nfs/dbraw/zinc/15/71/98/750157198.db2.gz QNXASPUTZNXJMD-BXKDBHETSA-N 1 1 324.312 0.135 20 5 DCBDMO CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169025862 760561135 /nfs/dbraw/zinc/56/11/35/760561135.db2.gz ZJJQUGLFTNSMKC-RMRHIDDWSA-N 1 1 311.382 0.659 20 5 DCBDMO Cc1ccc(C(=O)NCC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001123926595 768081136 /nfs/dbraw/zinc/08/11/36/768081136.db2.gz VZSJIRFHIATQMC-UHFFFAOYSA-N 1 1 320.349 0.407 20 5 DCBDMO O=C(CCc1c[nH]nn1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001134013678 765299495 /nfs/dbraw/zinc/29/94/95/765299495.db2.gz ADSZXCCILKSQJE-UHFFFAOYSA-N 1 1 318.337 0.552 20 5 DCBDMO O=C(CCc1cnn[nH]1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001134013678 765299503 /nfs/dbraw/zinc/29/95/03/765299503.db2.gz ADSZXCCILKSQJE-UHFFFAOYSA-N 1 1 318.337 0.552 20 5 DCBDMO N[C@@H](CCC[NH3+])Nc1cc([N+](=O)[O-])cc(Br)[n+]1[O-] ZINC001170900171 766250592 /nfs/dbraw/zinc/25/05/92/766250592.db2.gz PPYADMZTBTWIDA-MRVPVSSYSA-N 1 1 320.147 0.426 20 5 DCBDMO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC[N@@H+]1CCO ZINC001138273298 768406931 /nfs/dbraw/zinc/40/69/31/768406931.db2.gz KEBRVVCSTYIEKL-UHFFFAOYSA-N 1 1 322.365 0.706 20 5 DCBDMO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC[N@H+]1CCO ZINC001138273298 768406936 /nfs/dbraw/zinc/40/69/36/768406936.db2.gz KEBRVVCSTYIEKL-UHFFFAOYSA-N 1 1 322.365 0.706 20 5 DCBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC001149931819 768909175 /nfs/dbraw/zinc/90/91/75/768909175.db2.gz NWWZPLMYWFVOJN-NSHDSACASA-N 1 1 317.305 0.810 20 5 DCBDMO NC(=O)[C@H](C1CC1)[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC1CC1 ZINC001175503312 769914216 /nfs/dbraw/zinc/91/42/16/769914216.db2.gz KSURLVHBQVLOKB-ZDUSSCGKSA-N 1 1 307.354 0.767 20 5 DCBDMO Cc1[nH]c(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(C)[nH+]1 ZINC001178441580 770741791 /nfs/dbraw/zinc/74/17/91/770741791.db2.gz LILXELWRJZJXTF-UHFFFAOYSA-N 1 1 305.294 0.413 20 5 DCBDMO O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N1CC([NH2+]C2COC2)C1 ZINC001157602102 771639485 /nfs/dbraw/zinc/63/94/85/771639485.db2.gz NBOBCVNCIDGZOQ-UHFFFAOYSA-N 1 1 316.317 0.889 20 5 DCBDMO Cc1nnc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1C1CC1 ZINC001157760276 771664412 /nfs/dbraw/zinc/66/44/12/771664412.db2.gz ADDCLLCDRMJJME-VXGBXAGGSA-N 1 1 322.369 0.183 20 5 DCBDMO O=C(NCCC[NH2+]Cc1ccc2c(c1)COC2)[C@@H]1CC1[N+](=O)[O-] ZINC001157761379 771665447 /nfs/dbraw/zinc/66/54/47/771665447.db2.gz PWLZRKXDIPDCAC-HUUCEWRRSA-N 1 1 319.361 0.978 20 5 DCBDMO COC(=O)c1nc(Cl)nc(N[C@H](N)CCC[NH3+])c1[N+](=O)[O-] ZINC001159779940 771956811 /nfs/dbraw/zinc/95/68/11/771956811.db2.gz LZFOOISLDLWUMM-YFKPBYRVSA-N 1 1 318.721 0.260 20 5 DCBDMO CC1(C)[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)C[C@H]1[NH+]1CCOCC1 ZINC001186791081 772091465 /nfs/dbraw/zinc/09/14/65/772091465.db2.gz KEDUJEHTCUPKBF-GHMZBOCLSA-N 1 1 322.369 0.878 20 5 DCBDMO O=[N+]([O-])c1cc2ccccc2nc1NC[C@@]1(CO)COCC[NH2+]1 ZINC001187502766 772195173 /nfs/dbraw/zinc/19/51/73/772195173.db2.gz HDEJXYJGXUJTOP-OAHLLOKOSA-N 1 1 318.333 0.906 20 5 DCBDMO C[C@@H]1C[N@@H+](CCO)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001195094136 773325021 /nfs/dbraw/zinc/32/50/21/773325021.db2.gz MXHPGRZPMIDYBN-DOMZBBRYSA-N 1 1 309.366 0.627 20 5 DCBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC001197157717 773706902 /nfs/dbraw/zinc/70/69/02/773706902.db2.gz ZGIULKIXNISISF-SDDRHHMPSA-N 1 1 323.349 0.454 20 5 DCBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC001197157717 773706907 /nfs/dbraw/zinc/70/69/07/773706907.db2.gz ZGIULKIXNISISF-SDDRHHMPSA-N 1 1 323.349 0.454 20 5 DCBDMO CC[N@@H+](C)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC001214102562 773926123 /nfs/dbraw/zinc/92/61/23/773926123.db2.gz DNNCROPRQOQQEK-LLVKDONJSA-N 1 1 314.367 0.705 20 5 DCBDMO CC[N@H+](CCNC(=O)CC(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC001266383450 939102504 /nfs/dbraw/zinc/10/25/04/939102504.db2.gz OKOBRXKWKUNHQG-UHFFFAOYSA-N 1 1 308.338 0.408 20 5 DCBDMO CC[N@@H+](CCNC(=O)CC(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC001266383450 939102507 /nfs/dbraw/zinc/10/25/07/939102507.db2.gz OKOBRXKWKUNHQG-UHFFFAOYSA-N 1 1 308.338 0.408 20 5 DCBDMO C[N@H+]1CC[C@H]1CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001246197851 945362650 /nfs/dbraw/zinc/36/26/50/945362650.db2.gz UJWVPIMGPKJRQN-JTQLQIEISA-N 1 1 318.337 0.974 20 5 DCBDMO O=C(N[C@H]1C[C@@H]([NH2+]CCOCC2CCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001317109059 944799529 /nfs/dbraw/zinc/79/95/29/944799529.db2.gz GETZUGUCENHMSU-XJFOESAGSA-N 1 1 311.382 0.705 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001328432097 948892060 /nfs/dbraw/zinc/89/20/60/948892060.db2.gz MWTXVSRXGNMBFD-CYBMUJFWSA-N 1 1 320.349 0.661 20 5 DCBDMO O=C(NC1CC1)[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC001330694564 950592045 /nfs/dbraw/zinc/59/20/45/950592045.db2.gz JZZURDBXJAFXQT-NSHDSACASA-N 1 1 307.354 0.782 20 5 DCBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC001333225796 951966092 /nfs/dbraw/zinc/96/60/92/951966092.db2.gz YIXYHYDWNXANER-LBPRGKRZSA-N 1 1 320.349 0.374 20 5 DCBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC001333225796 951966098 /nfs/dbraw/zinc/96/60/98/951966098.db2.gz YIXYHYDWNXANER-LBPRGKRZSA-N 1 1 320.349 0.374 20 5 DCBDMO C[NH+](C)[C@@H]1C[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC001335485168 952543652 /nfs/dbraw/zinc/54/36/52/952543652.db2.gz KVYIAANPIXSRJU-HZSPNIEDSA-N 1 1 323.397 0.615 20 5 DCBDMO O=C([C@H](Cc1ccccc1)[NH2+]CC[N+](=O)[O-])N1CCOCC1 ZINC001335999781 952630063 /nfs/dbraw/zinc/63/00/63/952630063.db2.gz GWKWSVUCYMDQOD-AWEZNQCLSA-N 1 1 307.350 0.323 20 5 DCBDMO CN(C)c1[nH+]cc(CNC(=O)c2c([N+](=O)[O-])cnn2C)n1C ZINC001341457248 953231953 /nfs/dbraw/zinc/23/19/53/953231953.db2.gz VUQAKNXVNOBRFY-UHFFFAOYSA-N 1 1 307.314 0.058 20 5 DCBDMO Cc1ccc(C(=O)N2CCN(C3C[NH+](C)C3)CC2)cc1[N+](=O)[O-] ZINC001349327832 954709706 /nfs/dbraw/zinc/70/97/06/954709706.db2.gz ULBVICHBGWMOJW-UHFFFAOYSA-N 1 1 318.377 0.975 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC001353286901 956006443 /nfs/dbraw/zinc/00/64/43/956006443.db2.gz YWADLRCOPRGMSX-CYZMBNFOSA-N 1 1 321.381 0.983 20 5 DCBDMO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[NH+](CCOC)CC1 ZINC001356351471 956840980 /nfs/dbraw/zinc/84/09/80/956840980.db2.gz LVJHHRKIFQFVGY-LLVKDONJSA-N 1 1 312.374 0.404 20 5 DCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1C[N@@H+](C)CCN1C ZINC001293745157 957422136 /nfs/dbraw/zinc/42/21/36/957422136.db2.gz OOIPAQFDJVBBHJ-GWCFXTLKSA-N 1 1 321.381 0.541 20 5 DCBDMO O=[N+]([O-])c1cnc(NC[C@@]2(CO)COCC[NH2+]2)c(Cl)c1 ZINC001307199728 960143305 /nfs/dbraw/zinc/14/33/05/960143305.db2.gz BORNVFNQFZBPKU-LLVKDONJSA-N 1 1 302.718 0.406 20 5 DCBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC001466683536 1016100022 /nfs/dbraw/zinc/10/00/22/1016100022.db2.gz SYRPPYHBUTVZRY-HNNXBMFYSA-N 1 1 323.349 0.790 20 5 DCBDMO Cc1n[nH]c(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)c1[N+](=O)[O-] ZINC001468315818 1016242947 /nfs/dbraw/zinc/24/29/47/1016242947.db2.gz GWLNZSYATFNQED-JTQLQIEISA-N 1 1 311.342 0.203 20 5 DCBDMO C[C@H]1C[C@H](NC(=O)c2cnc(N)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC001545709853 1005557673 /nfs/dbraw/zinc/55/76/73/1005557673.db2.gz MNKCMHGGRSJIEQ-WPRPVWTQSA-N 1 1 305.338 0.927 20 5 DCBDMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001453734466 1008692421 /nfs/dbraw/zinc/69/24/21/1008692421.db2.gz LZSCNVAOEAAQKT-GFCCVEGCSA-N 1 1 308.338 0.594 20 5 DCBDMO O=[N+]([O-])c1cnc(NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)s1 ZINC001458713357 1012321252 /nfs/dbraw/zinc/32/12/52/1012321252.db2.gz KTKUZQHQVHKSCB-JOYOIKCWSA-N 1 1 314.367 0.689 20 5 DCBDMO O=[N+]([O-])c1cnc(NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)s1 ZINC001458713357 1012321270 /nfs/dbraw/zinc/32/12/70/1012321270.db2.gz KTKUZQHQVHKSCB-JOYOIKCWSA-N 1 1 314.367 0.689 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@H](Nc3ncc([N+](=O)[O-])cc3C(N)=O)[C@@H]2C1 ZINC001559303950 1012418650 /nfs/dbraw/zinc/41/86/50/1012418650.db2.gz JQEXICGFRPOGHD-AXTRIDKLSA-N 1 1 305.338 0.841 20 5 DCBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@H](CCO)[C@H](CO)C2)cc1 ZINC001560230875 1012446378 /nfs/dbraw/zinc/44/63/78/1012446378.db2.gz ISJAAYASRHKUJM-STQMWFEESA-N 1 1 310.350 0.896 20 5 DCBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3C[C@H](CO)[C@H](CO)C3)nc2c1 ZINC001460664687 1012951622 /nfs/dbraw/zinc/95/16/22/1012951622.db2.gz ABYUBCLFDARNBB-AOOOYVTPSA-N 1 1 307.306 0.769 20 5 DCBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3C[C@H](CO)[C@H](CO)C3)nc2c1 ZINC001460664687 1012951628 /nfs/dbraw/zinc/95/16/28/1012951628.db2.gz ABYUBCLFDARNBB-AOOOYVTPSA-N 1 1 307.306 0.769 20 5 DCBDMO C[C@@H]([NH2+]CC(=O)N1CCNC(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000180451440 199160290 /nfs/dbraw/zinc/16/02/90/199160290.db2.gz RPWOVMPYMTVZTF-SNVBAGLBSA-N 1 1 306.322 0.204 20 5 DCBDMO CN(C(=O)C[N@H+](C)CCOCCO)c1ccc([N+](=O)[O-])cc1 ZINC000282628735 217136810 /nfs/dbraw/zinc/13/68/10/217136810.db2.gz YKNNQMIHJNMSLU-UHFFFAOYSA-N 1 1 311.338 0.498 20 5 DCBDMO CN(C(=O)C[N@@H+](C)CCOCCO)c1ccc([N+](=O)[O-])cc1 ZINC000282628735 217136813 /nfs/dbraw/zinc/13/68/13/217136813.db2.gz YKNNQMIHJNMSLU-UHFFFAOYSA-N 1 1 311.338 0.498 20 5 DCBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000288512959 220191480 /nfs/dbraw/zinc/19/14/80/220191480.db2.gz XDMOGMSYQBVIOK-AWEZNQCLSA-N 1 1 307.350 0.926 20 5 DCBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000288512959 220191482 /nfs/dbraw/zinc/19/14/82/220191482.db2.gz XDMOGMSYQBVIOK-AWEZNQCLSA-N 1 1 307.350 0.926 20 5 DCBDMO CN(C)C(=O)CCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000573813926 291656982 /nfs/dbraw/zinc/65/69/82/291656982.db2.gz LVPNZZDEVDTTBF-UHFFFAOYSA-N 1 1 321.381 0.980 20 5 DCBDMO CC[C@H](O)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000106396468 194206039 /nfs/dbraw/zinc/20/60/39/194206039.db2.gz ZHKMPGGJABJOQK-ZDUSSCGKSA-N 1 1 322.365 0.827 20 5 DCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000338959611 253015432 /nfs/dbraw/zinc/01/54/32/253015432.db2.gz FXVTUOLHHPDLMQ-JTQLQIEISA-N 1 1 324.337 0.505 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CCO)C[C@H](C)O ZINC000351951155 254383956 /nfs/dbraw/zinc/38/39/56/254383956.db2.gz YSTSPRWSSWASGM-NSHDSACASA-N 1 1 311.338 0.517 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](CCO)C[C@H](C)O ZINC000351951155 254383957 /nfs/dbraw/zinc/38/39/57/254383957.db2.gz YSTSPRWSSWASGM-NSHDSACASA-N 1 1 311.338 0.517 20 5 DCBDMO O=C1NCCN1CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000271608334 209054898 /nfs/dbraw/zinc/05/48/98/209054898.db2.gz JQGFXGHKSYRRPY-UHFFFAOYSA-N 1 1 319.365 0.742 20 5 DCBDMO COC(=O)CC[N@@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)[C@H](C)C1 ZINC000271618344 209065102 /nfs/dbraw/zinc/06/51/02/209065102.db2.gz DLCUTSZFMYVVQS-SECBINFHSA-N 1 1 324.341 0.041 20 5 DCBDMO COC(=O)CC[N@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)[C@H](C)C1 ZINC000271618344 209065105 /nfs/dbraw/zinc/06/51/05/209065105.db2.gz DLCUTSZFMYVVQS-SECBINFHSA-N 1 1 324.341 0.041 20 5 DCBDMO CN(C)C(=O)C[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000024241085 395692904 /nfs/dbraw/zinc/69/29/04/395692904.db2.gz NUKAIFAHOQEIHJ-GFCCVEGCSA-N 1 1 311.338 0.355 20 5 DCBDMO CN(C)C(=O)C[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000024241085 395692905 /nfs/dbraw/zinc/69/29/05/395692905.db2.gz NUKAIFAHOQEIHJ-GFCCVEGCSA-N 1 1 311.338 0.355 20 5 DCBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC3(CO)COC3)C2)nc1 ZINC000089128437 395708250 /nfs/dbraw/zinc/70/82/50/395708250.db2.gz UELONQSBWIALTA-NSHDSACASA-N 1 1 308.338 0.485 20 5 DCBDMO CC[N@@H+](C)CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000115159631 395838445 /nfs/dbraw/zinc/83/84/45/395838445.db2.gz GTQSINGQSSFWQR-UHFFFAOYSA-N 1 1 308.338 0.393 20 5 DCBDMO COC(=O)C1(O)CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000271231041 395848679 /nfs/dbraw/zinc/84/86/79/395848679.db2.gz DGHSRDXEHZBNSF-UHFFFAOYSA-N 1 1 324.333 0.974 20 5 DCBDMO COC(=O)C1(O)CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000271447051 395866181 /nfs/dbraw/zinc/86/61/81/395866181.db2.gz RSGQDJQYSGTMHT-UHFFFAOYSA-N 1 1 324.333 0.974 20 5 DCBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000276475350 396000794 /nfs/dbraw/zinc/00/07/94/396000794.db2.gz FCKFEXOLEHCMAU-JTQLQIEISA-N 1 1 308.338 0.628 20 5 DCBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154299976 396035883 /nfs/dbraw/zinc/03/58/83/396035883.db2.gz RMCBCHFNDRGBBU-FZMZJTMJSA-N 1 1 324.381 0.824 20 5 DCBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H](O)C[NH+](C)C ZINC000154299976 396035884 /nfs/dbraw/zinc/03/58/84/396035884.db2.gz RMCBCHFNDRGBBU-FZMZJTMJSA-N 1 1 324.381 0.824 20 5 DCBDMO C[N@H+]1CCO[C@H]2CN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000153134591 396021861 /nfs/dbraw/zinc/02/18/61/396021861.db2.gz CQZYWBGZKMRVMH-STQMWFEESA-N 1 1 306.322 0.213 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069797623 396091311 /nfs/dbraw/zinc/09/13/11/396091311.db2.gz KXOREVQMMUBCHE-LBPRGKRZSA-N 1 1 309.370 0.877 20 5 DCBDMO CCOC(=O)C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000075680521 396185430 /nfs/dbraw/zinc/18/54/30/396185430.db2.gz UGMZTIYZJNGTPV-GFCCVEGCSA-N 1 1 314.342 0.426 20 5 DCBDMO CCOC(=O)C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000075680521 396185435 /nfs/dbraw/zinc/18/54/35/396185435.db2.gz UGMZTIYZJNGTPV-GFCCVEGCSA-N 1 1 314.342 0.426 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178100061 396189584 /nfs/dbraw/zinc/18/95/84/396189584.db2.gz JCGNRWJLNXNALH-NSHDSACASA-N 1 1 309.322 0.982 20 5 DCBDMO COCC[N@H+]1CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000264432106 396279810 /nfs/dbraw/zinc/27/98/10/396279810.db2.gz AUAGKBNILLGOPV-LBPRGKRZSA-N 1 1 323.349 0.811 20 5 DCBDMO COc1cc(C[NH2+][C@H]2CC(=O)N(C)C2)c([N+](=O)[O-])cc1OC ZINC000263785068 396231783 /nfs/dbraw/zinc/23/17/83/396231783.db2.gz WMSNIMKKLQZUON-JTQLQIEISA-N 1 1 309.322 0.932 20 5 DCBDMO CC[N@@H+]1CCO[C@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000081371051 396299539 /nfs/dbraw/zinc/29/95/39/396299539.db2.gz MCDPNCLALGELEC-AWEZNQCLSA-N 1 1 323.349 0.811 20 5 DCBDMO CC[N@H+]1CCO[C@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000081371051 396299544 /nfs/dbraw/zinc/29/95/44/396299544.db2.gz MCDPNCLALGELEC-AWEZNQCLSA-N 1 1 323.349 0.811 20 5 DCBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286241971 396382824 /nfs/dbraw/zinc/38/28/24/396382824.db2.gz YYTSMEQHZZNOIC-SNVBAGLBSA-N 1 1 310.358 0.074 20 5 DCBDMO COCCN(CC[NH+](C)C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269308164 396406189 /nfs/dbraw/zinc/40/61/89/396406189.db2.gz XPMWMZVECXWZRA-UHFFFAOYSA-N 1 1 311.338 0.951 20 5 DCBDMO CCn1cc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])nn1 ZINC000594716687 396500332 /nfs/dbraw/zinc/50/03/32/396500332.db2.gz SPXMTPYYSZBLPC-GFCCVEGCSA-N 1 1 321.337 0.736 20 5 DCBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000290999459 396477133 /nfs/dbraw/zinc/47/71/33/396477133.db2.gz TUYMMXJWTQSEIM-LBPRGKRZSA-N 1 1 324.381 0.993 20 5 DCBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3cn[nH]n3)CC2)cn1 ZINC000595288601 396580582 /nfs/dbraw/zinc/58/05/82/396580582.db2.gz PRFFTWZVAPGHCG-UHFFFAOYSA-N 1 1 303.326 0.473 20 5 DCBDMO CCn1cnnc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000562988064 396690806 /nfs/dbraw/zinc/69/08/06/396690806.db2.gz LLNPZXNKIYGDDJ-LLVKDONJSA-N 1 1 321.337 0.736 20 5 DCBDMO C[C@@H](O)C[NH+]1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000302522757 396719457 /nfs/dbraw/zinc/71/94/57/396719457.db2.gz JGMXYEHQNFHSCV-SECBINFHSA-N 1 1 311.367 0.807 20 5 DCBDMO O=C1NC(=O)[C@@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000590758618 396834310 /nfs/dbraw/zinc/83/43/10/396834310.db2.gz NFFNAZKFPUEUNO-BETUJISGSA-N 1 1 319.317 0.568 20 5 DCBDMO C[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000611598457 396894682 /nfs/dbraw/zinc/89/46/82/396894682.db2.gz ZJHQSBJDYRTXHN-SKDRFNHKSA-N 1 1 309.326 0.252 20 5 DCBDMO C[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000611598457 396894684 /nfs/dbraw/zinc/89/46/84/396894684.db2.gz ZJHQSBJDYRTXHN-SKDRFNHKSA-N 1 1 309.326 0.252 20 5 DCBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000377513308 397091485 /nfs/dbraw/zinc/09/14/85/397091485.db2.gz SQIKYGKILWRKIV-YPMHNXCESA-N 1 1 323.353 0.161 20 5 DCBDMO C[C@@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000592368902 397161733 /nfs/dbraw/zinc/16/17/33/397161733.db2.gz MMXSMBXNSRVWLF-DTORHVGOSA-N 1 1 300.340 0.361 20 5 DCBDMO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000619786065 397192496 /nfs/dbraw/zinc/19/24/96/397192496.db2.gz NUEPGYYHVYWJCY-LLVKDONJSA-N 1 1 323.353 0.645 20 5 DCBDMO COCC[N@H+]1CC[C@@H](Nc2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000598594789 397254246 /nfs/dbraw/zinc/25/42/46/397254246.db2.gz CPPIUDLZFQAAPW-SNVBAGLBSA-N 1 1 324.337 0.909 20 5 DCBDMO CC(C)[N@@H+](C)CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598592361 397254266 /nfs/dbraw/zinc/25/42/66/397254266.db2.gz GWUBXPIVLURXCL-UHFFFAOYSA-N 1 1 324.385 0.974 20 5 DCBDMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000593188439 397336749 /nfs/dbraw/zinc/33/67/49/397336749.db2.gz HFSFOCBOWUOVDK-UTUOFQBUSA-N 1 1 322.365 0.696 20 5 DCBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@H+]1CC[C@H](O)C1 ZINC000599199242 397361207 /nfs/dbraw/zinc/36/12/07/397361207.db2.gz HXHGAJCVDNXHSR-NSHDSACASA-N 1 1 308.338 0.433 20 5 DCBDMO CCC(O)(CC)C[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599673422 397502962 /nfs/dbraw/zinc/50/29/62/397502962.db2.gz NQHYKHCVYVSKBX-LBPRGKRZSA-N 1 1 300.359 0.635 20 5 DCBDMO O=C1NCCN1CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000579057338 397518709 /nfs/dbraw/zinc/51/87/09/397518709.db2.gz UHFVFEIELHXRTI-UHFFFAOYSA-N 1 1 320.353 0.137 20 5 DCBDMO CC[N@@H+]1CCO[C@H](C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000089304591 158096065 /nfs/dbraw/zinc/09/60/65/158096065.db2.gz AAIUTCWAAYLXTL-AWEZNQCLSA-N 1 1 307.350 0.974 20 5 DCBDMO CC[N@H+]1CCO[C@H](C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000089304591 158096067 /nfs/dbraw/zinc/09/60/67/158096067.db2.gz AAIUTCWAAYLXTL-AWEZNQCLSA-N 1 1 307.350 0.974 20 5 DCBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000119289403 158186183 /nfs/dbraw/zinc/18/61/83/158186183.db2.gz SLHKWJDLZQCTPM-LBPRGKRZSA-N 1 1 309.370 0.885 20 5 DCBDMO O=C([C@H]1CSC[NH2+]1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169188169 158373490 /nfs/dbraw/zinc/37/34/90/158373490.db2.gz SYNSEQOTZXOZKF-MWLCHTKSSA-N 1 1 323.378 0.665 20 5 DCBDMO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](OCCO)C2)c([N+](=O)[O-])c1 ZINC000172299154 158393462 /nfs/dbraw/zinc/39/34/62/158393462.db2.gz QEBJADYJYQDUSC-ZDUSSCGKSA-N 1 1 323.349 0.667 20 5 DCBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H](OCCO)C2)c([N+](=O)[O-])c1 ZINC000172299154 158393463 /nfs/dbraw/zinc/39/34/63/158393463.db2.gz QEBJADYJYQDUSC-ZDUSSCGKSA-N 1 1 323.349 0.667 20 5 DCBDMO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000319239844 159007117 /nfs/dbraw/zinc/00/71/17/159007117.db2.gz XEXJTVXZQCTTJU-NSHDSACASA-N 1 1 310.329 0.710 20 5 DCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000319239844 159007118 /nfs/dbraw/zinc/00/71/18/159007118.db2.gz XEXJTVXZQCTTJU-NSHDSACASA-N 1 1 310.329 0.710 20 5 DCBDMO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[NH2+]CC1 ZINC000021052375 415154694 /nfs/dbraw/zinc/15/46/94/415154694.db2.gz CTDUFHVVNRHDBC-UHFFFAOYSA-N 1 1 305.743 0.842 20 5 DCBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000331617279 415154759 /nfs/dbraw/zinc/15/47/59/415154759.db2.gz MYFKXLAEKDZNJN-MCIONIFRSA-N 1 1 310.354 0.653 20 5 DCBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000331617279 415154763 /nfs/dbraw/zinc/15/47/63/415154763.db2.gz MYFKXLAEKDZNJN-MCIONIFRSA-N 1 1 310.354 0.653 20 5 DCBDMO CNS(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000008054876 415144654 /nfs/dbraw/zinc/14/46/54/415144654.db2.gz ANQJJTXMKKYARO-UHFFFAOYSA-N 1 1 314.367 0.255 20 5 DCBDMO C[C@@H](O)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000276264165 415460082 /nfs/dbraw/zinc/46/00/82/415460082.db2.gz RMPDSDJUAVAHQX-SNVBAGLBSA-N 1 1 308.338 0.316 20 5 DCBDMO C[C@@H]1[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)CCC[N@H+]1C ZINC000343887988 415767978 /nfs/dbraw/zinc/76/79/78/415767978.db2.gz FVXGUAQFSAFGEW-PWSUYJOCSA-N 1 1 310.358 0.573 20 5 DCBDMO O=C1NCCN1CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000343890455 415768291 /nfs/dbraw/zinc/76/82/91/415768291.db2.gz YLGIMMKTSCADSF-LLVKDONJSA-N 1 1 320.353 0.501 20 5 DCBDMO Nc1c(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cccc1[N+](=O)[O-] ZINC000295430720 415890187 /nfs/dbraw/zinc/89/01/87/415890187.db2.gz KRUOTINUFKYECX-NSHDSACASA-N 1 1 322.365 0.754 20 5 DCBDMO O=C(NCC[NH+]1CCC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000337288333 415939989 /nfs/dbraw/zinc/93/99/89/415939989.db2.gz AVAXKYXTMRFOQA-UHFFFAOYSA-N 1 1 316.321 0.611 20 5 DCBDMO C[C@H]1CCC[N@@H+](CCNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000133583483 415948632 /nfs/dbraw/zinc/94/86/32/415948632.db2.gz NSBOPDNNNCZWAF-LBPRGKRZSA-N 1 1 324.385 0.822 20 5 DCBDMO NC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000175253379 416101084 /nfs/dbraw/zinc/10/10/84/416101084.db2.gz PJMZLTUWDSCEOT-JTQLQIEISA-N 1 1 320.349 0.781 20 5 DCBDMO NC(=O)NC(=O)CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345664735 416129972 /nfs/dbraw/zinc/12/99/72/416129972.db2.gz JWYOTQVANFWMHP-VIFPVBQESA-N 1 1 322.325 0.061 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358045324 416177559 /nfs/dbraw/zinc/17/75/59/416177559.db2.gz JEBGLCQMUKZNBB-AWEZNQCLSA-N 1 1 309.322 0.400 20 5 DCBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000330642637 416221391 /nfs/dbraw/zinc/22/13/91/416221391.db2.gz FCPGEMGDARGOKX-QWRGUYRKSA-N 1 1 310.358 0.423 20 5 DCBDMO COc1ccc(NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000358488753 416243324 /nfs/dbraw/zinc/24/33/24/416243324.db2.gz XJCWJAHTCRUMFD-AWEZNQCLSA-N 1 1 324.337 0.792 20 5 DCBDMO CS(=O)(=O)CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331187055 416282514 /nfs/dbraw/zinc/28/25/14/416282514.db2.gz ZEHBIKAUDYOWFK-UHFFFAOYSA-N 1 1 316.383 0.863 20 5 DCBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000458555545 416481366 /nfs/dbraw/zinc/48/13/66/416481366.db2.gz JCQIWAVXEWFTQT-LBPRGKRZSA-N 1 1 324.385 0.915 20 5 DCBDMO C[C@@H]1C[N@H+](CCCNc2ccc(N)c([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000590570593 416527017 /nfs/dbraw/zinc/52/70/17/416527017.db2.gz XQFFIXQWFQOWNL-PHIMTYICSA-N 1 1 309.370 1.483 20 5 DCBDMO CC(C)[C@@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC[N@H+]1C ZINC000594345359 416560805 /nfs/dbraw/zinc/56/08/05/416560805.db2.gz OVKHENXGFHGVCS-NSHDSACASA-N 1 1 307.354 0.984 20 5 DCBDMO Cc1nc(N2CCC[C@H](N3CC[NH2+]CC3=O)C2)ccc1[N+](=O)[O-] ZINC000584163204 416503815 /nfs/dbraw/zinc/50/38/15/416503815.db2.gz KIUPAWPXWCHUQD-LBPRGKRZSA-N 1 1 319.365 0.699 20 5 DCBDMO O=c1[nH]c(NCC[N@@H+]2CC[C@@H](O)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000599176291 416610309 /nfs/dbraw/zinc/61/03/09/416610309.db2.gz PUIAQCBKTGQBJJ-SNVBAGLBSA-N 1 1 319.321 0.722 20 5 DCBDMO CCN(C)C(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440491607 416636940 /nfs/dbraw/zinc/63/69/40/416636940.db2.gz SWZIADCDEGECID-NSHDSACASA-N 1 1 307.354 0.954 20 5 DCBDMO CCN(C)C(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440491607 416636942 /nfs/dbraw/zinc/63/69/42/416636942.db2.gz SWZIADCDEGECID-NSHDSACASA-N 1 1 307.354 0.954 20 5 DCBDMO C[C@@H]1C[C@@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000548092007 416684517 /nfs/dbraw/zinc/68/45/17/416684517.db2.gz USXOBNPOJAUOPD-RKDXNWHRSA-N 1 1 305.338 0.927 20 5 DCBDMO C[N@H+]1CCC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000517456972 416804697 /nfs/dbraw/zinc/80/46/97/416804697.db2.gz FFNCFUCYKKRDDX-LLVKDONJSA-N 1 1 308.338 0.215 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000520396786 416959131 /nfs/dbraw/zinc/95/91/31/416959131.db2.gz LYHKYILAXJRTMN-IUODEOHRSA-N 1 1 323.397 0.759 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000520396786 416959137 /nfs/dbraw/zinc/95/91/37/416959137.db2.gz LYHKYILAXJRTMN-IUODEOHRSA-N 1 1 323.397 0.759 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCc3ncsc3C2)c1 ZINC000445842585 416903605 /nfs/dbraw/zinc/90/36/05/416903605.db2.gz ZUXUQHXQXUEPQX-JTQLQIEISA-N 1 1 309.351 0.667 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCc3ncsc3C2)c1 ZINC000445842585 416903615 /nfs/dbraw/zinc/90/36/15/416903615.db2.gz ZUXUQHXQXUEPQX-JTQLQIEISA-N 1 1 309.351 0.667 20 5 DCBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000565176552 416933459 /nfs/dbraw/zinc/93/34/59/416933459.db2.gz FXUXDNGIPDGNMC-SNVBAGLBSA-N 1 1 307.354 1.032 20 5 DCBDMO C[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000524347154 417103384 /nfs/dbraw/zinc/10/33/84/417103384.db2.gz GUROXGDSOOEYNU-LBPRGKRZSA-N 1 1 306.366 0.847 20 5 DCBDMO CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525184356 417127626 /nfs/dbraw/zinc/12/76/26/417127626.db2.gz ZVDQDLBJTRHYFW-JTQLQIEISA-N 1 1 314.367 0.705 20 5 DCBDMO CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525184356 417127634 /nfs/dbraw/zinc/12/76/34/417127634.db2.gz ZVDQDLBJTRHYFW-JTQLQIEISA-N 1 1 314.367 0.705 20 5 DCBDMO C[C@H]1CC[N@@H+](CCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000525292570 417135396 /nfs/dbraw/zinc/13/53/96/417135396.db2.gz YMXWJNVQPPDUAK-NSHDSACASA-N 1 1 309.370 0.984 20 5 DCBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)C(N)=O ZINC000451139364 417304801 /nfs/dbraw/zinc/30/48/01/417304801.db2.gz PCEVQUMJCAQEEK-LLVKDONJSA-N 1 1 311.338 0.530 20 5 DCBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)C(N)=O ZINC000451139365 417307412 /nfs/dbraw/zinc/30/74/12/417307412.db2.gz PCEVQUMJCAQEEK-NSHDSACASA-N 1 1 311.338 0.530 20 5 DCBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](CO)CC(C)(C)C ZINC000451780209 417398286 /nfs/dbraw/zinc/39/82/86/417398286.db2.gz MTBAUURHOSYGFP-WCQYABFASA-N 1 1 314.386 0.881 20 5 DCBDMO CC(C)[N@@H+](C)CCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000354372308 261210444 /nfs/dbraw/zinc/21/04/44/261210444.db2.gz MKTKZJIKOBSSDM-UHFFFAOYSA-N 1 1 310.354 0.603 20 5 DCBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000354421250 261217430 /nfs/dbraw/zinc/21/74/30/261217430.db2.gz NWRBHAXKFYVYSU-SNVBAGLBSA-N 1 1 310.358 0.074 20 5 DCBDMO C[N@H+]1CC[C@@](O)(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000358706562 261696565 /nfs/dbraw/zinc/69/65/65/261696565.db2.gz NHKXQPAVLWSTGO-OAHLLOKOSA-N 1 1 322.365 0.503 20 5 DCBDMO CNc1ccc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000390003527 262160519 /nfs/dbraw/zinc/16/05/19/262160519.db2.gz KUIOCMJNYYVZNA-LBPRGKRZSA-N 1 1 321.381 0.612 20 5 DCBDMO CC[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1N1CCOCC1 ZINC000363447865 271188434 /nfs/dbraw/zinc/18/84/34/271188434.db2.gz CZLMZSJHGDMGRW-CHWSQXEVSA-N 1 1 323.397 0.871 20 5 DCBDMO CC[C@@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1N1CCOCC1 ZINC000363447865 271188437 /nfs/dbraw/zinc/18/84/37/271188437.db2.gz CZLMZSJHGDMGRW-CHWSQXEVSA-N 1 1 323.397 0.871 20 5 DCBDMO CC[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)C[C@H]1[NH+]1CCOCC1 ZINC000363447865 271188439 /nfs/dbraw/zinc/18/84/39/271188439.db2.gz CZLMZSJHGDMGRW-CHWSQXEVSA-N 1 1 323.397 0.871 20 5 DCBDMO CC(C)[C@](C)([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(N)=O ZINC000289366721 273558970 /nfs/dbraw/zinc/55/89/70/273558970.db2.gz OQSAVMXDXKLASN-AWEZNQCLSA-N 1 1 308.338 0.683 20 5 DCBDMO CCC[N@@H+](C)CC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000457122226 276246656 /nfs/dbraw/zinc/24/66/56/276246656.db2.gz MFXIEMWFJBYBSB-UHFFFAOYSA-N 1 1 321.381 0.980 20 5 DCBDMO CCNC(=O)CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298195883 276256674 /nfs/dbraw/zinc/25/66/74/276256674.db2.gz XJTCWDNBGSQDIB-UHFFFAOYSA-N 1 1 307.354 0.638 20 5 DCBDMO CN(c1ncc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000368176866 277004378 /nfs/dbraw/zinc/00/43/78/277004378.db2.gz CPVZRCYHZYSVFG-CYBMUJFWSA-N 1 1 320.397 0.990 20 5 DCBDMO CN(c1ncc([N+](=O)[O-])cn1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368176866 277004379 /nfs/dbraw/zinc/00/43/79/277004379.db2.gz CPVZRCYHZYSVFG-CYBMUJFWSA-N 1 1 320.397 0.990 20 5 DCBDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000367602252 278016740 /nfs/dbraw/zinc/01/67/40/278016740.db2.gz SCYXXLCLWYHLDK-NEPJUHHUSA-N 1 1 309.370 0.623 20 5 DCBDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000367602252 278016741 /nfs/dbraw/zinc/01/67/41/278016741.db2.gz SCYXXLCLWYHLDK-NEPJUHHUSA-N 1 1 309.370 0.623 20 5 DCBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2c[nH]nc2[N+](=O)[O-])C[C@H](C)O1 ZINC000547756692 288075860 /nfs/dbraw/zinc/07/58/60/288075860.db2.gz BUBOSDPLIFGWDP-AOOOYVTPSA-N 1 1 311.342 0.547 20 5 DCBDMO COc1ccc(C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000189731556 523646918 /nfs/dbraw/zinc/64/69/18/523646918.db2.gz YLIZLJCTRLNHTQ-NSHDSACASA-N 1 1 323.349 0.742 20 5 DCBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H]1C ZINC000246389286 525765905 /nfs/dbraw/zinc/76/59/05/525765905.db2.gz DGDCAFYZQQDYLZ-MNOVXSKESA-N 1 1 322.365 0.704 20 5 DCBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H]1C ZINC000246389286 525765914 /nfs/dbraw/zinc/76/59/14/525765914.db2.gz DGDCAFYZQQDYLZ-MNOVXSKESA-N 1 1 322.365 0.704 20 5 DCBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000430272982 536372998 /nfs/dbraw/zinc/37/29/98/536372998.db2.gz ZHJCLBIPMJIBCU-HNNXBMFYSA-N 1 1 320.349 0.652 20 5 DCBDMO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000193597421 545931116 /nfs/dbraw/zinc/93/11/16/545931116.db2.gz XCXQKZISLCOEHM-PELKAZGASA-N 1 1 306.322 0.308 20 5 DCBDMO C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000896539479 662284638 /nfs/dbraw/zinc/28/46/38/662284638.db2.gz PCNIIYVTFVROCO-RYUDHWBXSA-N 1 1 300.403 0.572 20 5 DCBDMO C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC000896539479 662284644 /nfs/dbraw/zinc/28/46/44/662284644.db2.gz PCNIIYVTFVROCO-RYUDHWBXSA-N 1 1 300.403 0.572 20 5 DCBDMO C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC000896539479 662284646 /nfs/dbraw/zinc/28/46/46/662284646.db2.gz PCNIIYVTFVROCO-RYUDHWBXSA-N 1 1 300.403 0.572 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCC3CCOCC3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775612 659556939 /nfs/dbraw/zinc/55/69/39/659556939.db2.gz IIAVGFJCJQMAEO-QMIVOQANSA-N 1 1 323.393 0.515 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@H+](CCC3CCOCC3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775612 659556944 /nfs/dbraw/zinc/55/69/44/659556944.db2.gz IIAVGFJCJQMAEO-QMIVOQANSA-N 1 1 323.393 0.515 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCC3CCOCC3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775612 659556948 /nfs/dbraw/zinc/55/69/48/659556948.db2.gz IIAVGFJCJQMAEO-QMIVOQANSA-N 1 1 323.393 0.515 20 5 DCBDMO O=C(N[C@H]1CCOC1)OC[C@@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000930467617 659765161 /nfs/dbraw/zinc/76/51/61/659765161.db2.gz RRBKHRUNNRJEQJ-RYUDHWBXSA-N 1 1 301.343 0.633 20 5 DCBDMO O=C(N[C@H]1CCOC1)OC[C@@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000930467617 659765164 /nfs/dbraw/zinc/76/51/64/659765164.db2.gz RRBKHRUNNRJEQJ-RYUDHWBXSA-N 1 1 301.343 0.633 20 5 DCBDMO C[N@@H+](CCO)CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000899740040 663185616 /nfs/dbraw/zinc/18/56/16/663185616.db2.gz CYBRKJSKJHCSFH-UONOGXRCSA-N 1 1 307.350 0.739 20 5 DCBDMO C[N@@H+]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1CO ZINC000913541713 664343748 /nfs/dbraw/zinc/34/37/48/664343748.db2.gz TXEPYGSTKXCYTG-GFCCVEGCSA-N 1 1 311.313 0.411 20 5 DCBDMO C[N@H+]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1CO ZINC000913541713 664343751 /nfs/dbraw/zinc/34/37/51/664343751.db2.gz TXEPYGSTKXCYTG-GFCCVEGCSA-N 1 1 311.313 0.411 20 5 DCBDMO O=C1OC[C@H]2C[N@@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@@H]12 ZINC000862545365 667047228 /nfs/dbraw/zinc/04/72/28/667047228.db2.gz QFMHMPILKRDYAW-GHMZBOCLSA-N 1 1 320.301 0.971 20 5 DCBDMO O=C1OC[C@H]2C[N@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@@H]12 ZINC000862545365 667047231 /nfs/dbraw/zinc/04/72/31/667047231.db2.gz QFMHMPILKRDYAW-GHMZBOCLSA-N 1 1 320.301 0.971 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000871987651 667863730 /nfs/dbraw/zinc/86/37/30/667863730.db2.gz UIVVCCAKXJPLHS-AWEZNQCLSA-N 1 1 303.322 0.823 20 5 DCBDMO Cc1nn(C[NH+]2CCC3(CCNC3=O)CC2)c(C)c1[N+](=O)[O-] ZINC000872789204 667939180 /nfs/dbraw/zinc/93/91/80/667939180.db2.gz XXYOUBXNENONLN-UHFFFAOYSA-N 1 1 307.354 0.968 20 5 DCBDMO O=C1[C@H]2C[N@H+](CC[N+](=O)[O-])C[C@H]2C(=O)N1Cc1ccccc1 ZINC000930926414 669106469 /nfs/dbraw/zinc/10/64/69/669106469.db2.gz VQJWUNFUIRQCAR-BETUJISGSA-N 1 1 303.318 0.380 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+](C)[C@@H](CO)C1 ZINC000931406751 669194982 /nfs/dbraw/zinc/19/49/82/669194982.db2.gz PTCPEFZFMTZNQJ-CYBMUJFWSA-N 1 1 322.365 0.450 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@H+](C)[C@@H](CO)C1 ZINC000931406751 669194984 /nfs/dbraw/zinc/19/49/84/669194984.db2.gz PTCPEFZFMTZNQJ-CYBMUJFWSA-N 1 1 322.365 0.450 20 5 DCBDMO O=[N+]([O-])c1ccc([C@H](O)CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000847046453 670513210 /nfs/dbraw/zinc/51/32/10/670513210.db2.gz VYBDHAQZJQLFLF-RRFJBIMHSA-N 1 1 307.350 0.379 20 5 DCBDMO COCC(COC)[NH+]1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000840356594 670999595 /nfs/dbraw/zinc/99/95/95/670999595.db2.gz CUKNIXQRULGOMM-UHFFFAOYSA-N 1 1 324.381 0.960 20 5 DCBDMO O=C1OCCN1[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000852436724 671130462 /nfs/dbraw/zinc/13/04/62/671130462.db2.gz MOGJRAWSCGVLGU-LLVKDONJSA-N 1 1 322.321 0.283 20 5 DCBDMO C[NH+]1CCN(C(=O)CNc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000853264697 671224598 /nfs/dbraw/zinc/22/45/98/671224598.db2.gz NVQAEAJDXFOQRW-UHFFFAOYSA-N 1 1 313.745 0.251 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[NH+](CCCF)CC1 ZINC000823651737 671404220 /nfs/dbraw/zinc/40/42/20/671404220.db2.gz DIPUIOPEXPKAPD-UHFFFAOYSA-N 1 1 313.333 0.604 20 5 DCBDMO CC[N@@H+](CCO)CCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823962308 671414288 /nfs/dbraw/zinc/41/42/88/671414288.db2.gz RDOBALUNPMLZLC-UHFFFAOYSA-N 1 1 311.342 0.613 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823961648 671414356 /nfs/dbraw/zinc/41/43/56/671414356.db2.gz HPPSXQPNESBHAC-ZDUSSCGKSA-N 1 1 309.326 0.365 20 5 DCBDMO Cc1cc(-c2noc(CN3CC[NH2+]CC3=O)n2)cc([N+](=O)[O-])c1 ZINC000843240687 672072821 /nfs/dbraw/zinc/07/28/21/672072821.db2.gz ZGLPOCHPAKFLGD-UHFFFAOYSA-N 1 1 317.305 0.885 20 5 DCBDMO Cn1ncc([N+](=O)[O-])c1N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000892560918 685427258 /nfs/dbraw/zinc/42/72/58/685427258.db2.gz JPFJYJAUYFMSGJ-GFCCVEGCSA-N 1 1 308.386 0.545 20 5 DCBDMO O=C(NCCCN1CC[NH+](CC2CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001752343610 1157913727 /nfs/dbraw/zinc/91/37/27/1157913727.db2.gz OEJSPMCUBHTDAJ-ZIAGYGMSSA-N 1 1 310.398 0.186 20 5 DCBDMO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC001670781238 1158000600 /nfs/dbraw/zinc/00/06/00/1158000600.db2.gz IHOUJDCWEFLAJX-VXGBXAGGSA-N 1 1 320.349 0.494 20 5 DCBDMO C[N@H+](CCNC(=O)C(C)(C)C(N)=O)Cc1cccc([N+](=O)[O-])c1 ZINC001567286360 1160296919 /nfs/dbraw/zinc/29/69/19/1160296919.db2.gz GIGZICKUGWECNI-UHFFFAOYSA-N 1 1 322.365 0.654 20 5 DCBDMO C[N@@H+](CCNC(=O)C(C)(C)C(N)=O)Cc1cccc([N+](=O)[O-])c1 ZINC001567286360 1160296921 /nfs/dbraw/zinc/29/69/21/1160296921.db2.gz GIGZICKUGWECNI-UHFFFAOYSA-N 1 1 322.365 0.654 20 5 DCBDMO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)CC[N@H+]1C ZINC001590175200 1166801117 /nfs/dbraw/zinc/80/11/17/1166801117.db2.gz MPVRDMRYINGRAF-SFYZADRCSA-N 1 1 318.341 0.862 20 5 DCBDMO C[C@@H]1[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[N@H+]1C ZINC001590177353 1166801429 /nfs/dbraw/zinc/80/14/29/1166801429.db2.gz CYTOPMBJDVJWRQ-VXNVDRBHSA-N 1 1 304.314 0.674 20 5 DCBDMO C[N@@H+](CCC(N)=O)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001591064200 1167097827 /nfs/dbraw/zinc/09/78/27/1167097827.db2.gz FCFNBYNDKXILGI-UHFFFAOYSA-N 1 1 305.298 0.082 20 5 DCBDMO C[N@@H+]1CC[C@@H]2CN(c3cc(-c4nn[nH]n4)sc3[N+](=O)[O-])C[C@@H]21 ZINC001591196409 1167146379 /nfs/dbraw/zinc/14/63/79/1167146379.db2.gz YFBHQMIGZZEYGP-APPZFPTMSA-N 1 1 321.366 0.977 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(c3cc(-c4nn[nH]n4)sc3[N+](=O)[O-])C[C@@H]21 ZINC001591196409 1167146384 /nfs/dbraw/zinc/14/63/84/1167146384.db2.gz YFBHQMIGZZEYGP-APPZFPTMSA-N 1 1 321.366 0.977 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)C[C@@H]21 ZINC001604867568 1169721100 /nfs/dbraw/zinc/72/11/00/1169721100.db2.gz RQHGOGVJPKAWGY-KCJUWKMLSA-N 1 1 316.325 0.310 20 5 DCBDMO C[N@@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C1(CO)CC1 ZINC001609277293 1170909554 /nfs/dbraw/zinc/90/95/54/1170909554.db2.gz UGLLHBFAMZOFBQ-UHFFFAOYSA-N 1 1 304.310 0.732 20 5 DCBDMO C[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC001612950148 1171366245 /nfs/dbraw/zinc/36/62/45/1171366245.db2.gz GTWMTPXJHRVOSJ-MWLCHTKSSA-N 1 1 322.369 0.135 20 5 DCBDMO C[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@H+](C2CC2)C1 ZINC001625284249 1171469913 /nfs/dbraw/zinc/46/99/13/1171469913.db2.gz GEJXCXPCGDKJIS-SNVBAGLBSA-N 1 1 307.354 0.885 20 5 DCBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001627131441 1171497578 /nfs/dbraw/zinc/49/75/78/1171497578.db2.gz NTKAQXWQHVWDFD-UHFFFAOYSA-N 1 1 324.385 0.416 20 5 DCBDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001627131441 1171497581 /nfs/dbraw/zinc/49/75/81/1171497581.db2.gz NTKAQXWQHVWDFD-UHFFFAOYSA-N 1 1 324.385 0.416 20 5 DCBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001637318109 1171762313 /nfs/dbraw/zinc/76/23/13/1171762313.db2.gz SKLLYXLMRWXTCD-QWRGUYRKSA-N 1 1 311.317 0.436 20 5 DCBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001637318109 1171762320 /nfs/dbraw/zinc/76/23/20/1171762320.db2.gz SKLLYXLMRWXTCD-QWRGUYRKSA-N 1 1 311.317 0.436 20 5 DCBDMO Cn1cc([N+](=O)[O-])c(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC001639841192 1171853811 /nfs/dbraw/zinc/85/38/11/1171853811.db2.gz AMOUROVRYJOPRI-GFCCVEGCSA-N 1 1 309.370 0.877 20 5 DCBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2C[C@H](CO)[C@H](CCO)C2)cc1 ZINC001648634896 1173078288 /nfs/dbraw/zinc/07/82/88/1173078288.db2.gz KSSICFLYQUBPLM-UMVBOHGHSA-N 1 1 310.350 0.551 20 5 DCBDMO Cc1noc(C[N@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)c1[N+](=O)[O-] ZINC001654947938 1173813578 /nfs/dbraw/zinc/81/35/78/1173813578.db2.gz RGKXNICIMFTOAI-APPZFPTMSA-N 1 1 318.355 0.248 20 5 DCBDMO Cc1noc(C[N@@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)c1[N+](=O)[O-] ZINC001654947938 1173813583 /nfs/dbraw/zinc/81/35/83/1173813583.db2.gz RGKXNICIMFTOAI-APPZFPTMSA-N 1 1 318.355 0.248 20 5 DCBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@H](CCO)[C@H](CO)C1 ZINC001655898381 1173830592 /nfs/dbraw/zinc/83/05/92/1173830592.db2.gz IJFZZGWFFJOKFI-STQMWFEESA-N 1 1 310.350 0.896 20 5 DCBDMO CC[N@@H+](CCCNC(=O)C(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC001689953050 1177123253 /nfs/dbraw/zinc/12/32/53/1177123253.db2.gz FEKZGCGUPOQYQN-UHFFFAOYSA-N 1 1 308.338 0.408 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C/C=C/CNC(=O)C(F)F ZINC001699225717 1177955735 /nfs/dbraw/zinc/95/57/35/1177955735.db2.gz ITACXUMFMRNDKU-NSCUHMNNSA-N 1 1 303.269 0.355 20 5 DCBDMO CN(CC[N@@H+](C)CCc1cnn(C)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001715518002 1181839135 /nfs/dbraw/zinc/83/91/35/1181839135.db2.gz LEBKZOQHBCBGSC-CHWSQXEVSA-N 1 1 309.370 0.018 20 5 DCBDMO CN(CC[N@H+](C)CCc1cnn(C)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001715518002 1181839139 /nfs/dbraw/zinc/83/91/39/1181839139.db2.gz LEBKZOQHBCBGSC-CHWSQXEVSA-N 1 1 309.370 0.018 20 5 DCBDMO CN(CC[N@@H+](C)CCc1cnn(C)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001715518002 1181839144 /nfs/dbraw/zinc/83/91/44/1181839144.db2.gz LEBKZOQHBCBGSC-CHWSQXEVSA-N 1 1 309.370 0.018 20 5 DCBDMO C[N@H+]1CCO[C@H]2CN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)C[C@H]21 ZINC001164669308 719415627 /nfs/dbraw/zinc/41/56/27/719415627.db2.gz LNIWAZZREQYZOS-NEPJUHHUSA-N 1 1 303.322 0.990 20 5 DCBDMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1cc(N)c([N+](=O)[O-])cn1 ZINC001164921941 721868082 /nfs/dbraw/zinc/86/80/82/721868082.db2.gz FDNJRWZFMPDFFH-QWHCGFSZSA-N 1 1 320.397 0.787 20 5 DCBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1cc(N)c([N+](=O)[O-])cn1 ZINC001164921941 721868084 /nfs/dbraw/zinc/86/80/84/721868084.db2.gz FDNJRWZFMPDFFH-QWHCGFSZSA-N 1 1 320.397 0.787 20 5 DCBDMO CCOC(=O)c1ccc(-n2cnc(C[NH3+])cc2=N)c([N+](=O)[O-])c1 ZINC001167359601 747131899 /nfs/dbraw/zinc/13/18/99/747131899.db2.gz QDTIXHXZNSHDLY-UHFFFAOYSA-N 1 1 317.305 0.895 20 5 DCBDMO CC(=O)NCCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC001096242937 754504340 /nfs/dbraw/zinc/50/43/40/754504340.db2.gz JPGDVYMWSYQROK-UHFFFAOYSA-N 1 1 321.381 0.946 20 5 DCBDMO Cc1ncc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)o1 ZINC001048814516 754956938 /nfs/dbraw/zinc/95/69/38/754956938.db2.gz OSLQZBMEYCXVJO-ZMJPVWNMSA-N 1 1 320.349 0.538 20 5 DCBDMO Cc1ncc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)o1 ZINC001048814516 754956942 /nfs/dbraw/zinc/95/69/42/754956942.db2.gz OSLQZBMEYCXVJO-ZMJPVWNMSA-N 1 1 320.349 0.538 20 5 DCBDMO Cc1ncc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)o1 ZINC001048814516 754956947 /nfs/dbraw/zinc/95/69/47/754956947.db2.gz OSLQZBMEYCXVJO-ZMJPVWNMSA-N 1 1 320.349 0.538 20 5 DCBDMO Cc1c(CC[NH3+])c(=O)[nH]n1-c1ccc2ncc([N+](=O)[O-])n2c1 ZINC001170339607 762622713 /nfs/dbraw/zinc/62/27/13/762622713.db2.gz MNCGGFYCUZWGJV-UHFFFAOYSA-N 1 1 302.294 0.943 20 5 DCBDMO Cc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1C ZINC001086083046 759691033 /nfs/dbraw/zinc/69/10/33/759691033.db2.gz LVPMUGRBZANICR-ZMJPVWNMSA-N 1 1 321.381 0.378 20 5 DCBDMO CCn1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001086084405 759694375 /nfs/dbraw/zinc/69/43/75/759694375.db2.gz PWCGVXYKVIGCAD-YXCITZCRSA-N 1 1 321.381 0.553 20 5 DCBDMO O=C(NCCNCc1csc([N+](=O)[O-])c1)C12CC[NH+](CC1)C2 ZINC001147970303 767888935 /nfs/dbraw/zinc/88/89/35/767888935.db2.gz GPSOVCRVGZAVRY-UHFFFAOYSA-N 1 1 324.406 0.958 20 5 DCBDMO O=C1NC(=O)C2(C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)N1 ZINC001169048974 760563557 /nfs/dbraw/zinc/56/35/57/760563557.db2.gz VQYRSPQGQXRPIM-VOYPLFDMSA-N 1 1 322.365 0.637 20 5 DCBDMO O=C(NCC[NH+]1CC=CC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001116192709 765847623 /nfs/dbraw/zinc/84/76/23/765847623.db2.gz UAYXEOJPWLYFNH-UHFFFAOYSA-N 1 1 305.290 0.925 20 5 DCBDMO N[C@H](CCC[NH3+])Nc1cc([N+](=O)[O-])cc(Br)[n+]1[O-] ZINC001170900173 766250565 /nfs/dbraw/zinc/25/05/65/766250565.db2.gz PPYADMZTBTWIDA-QMMMGPOBSA-N 1 1 320.147 0.426 20 5 DCBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C)n2)C1 ZINC001136822945 766548206 /nfs/dbraw/zinc/54/82/06/766548206.db2.gz SLAXGWGIGPAPQW-NSHDSACASA-N 1 1 308.338 0.749 20 5 DCBDMO COCC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001136823057 766548520 /nfs/dbraw/zinc/54/85/20/766548520.db2.gz VTBFIALJLIZIJO-JTQLQIEISA-N 1 1 308.338 0.628 20 5 DCBDMO O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1[nH+][nH]cc3nncc1-3)C2 ZINC001230900329 768904755 /nfs/dbraw/zinc/90/47/55/768904755.db2.gz GVFWJCBGVDPIPM-LURJTMIESA-N 1 1 303.238 0.298 20 5 DCBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2COC[C@H]2N)c1F ZINC001173187825 769556513 /nfs/dbraw/zinc/55/65/13/769556513.db2.gz GZVXUHFSVRVWLD-JMJZKYOTSA-N 1 1 313.329 0.989 20 5 DCBDMO COC(=O)[C@@]1(O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC001175668984 769940507 /nfs/dbraw/zinc/94/05/07/769940507.db2.gz JYBISQWPFZEXSU-CQSZACIVSA-N 1 1 310.306 0.713 20 5 DCBDMO COC(=O)[C@@]1(O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC001175668984 769940516 /nfs/dbraw/zinc/94/05/16/769940516.db2.gz JYBISQWPFZEXSU-CQSZACIVSA-N 1 1 310.306 0.713 20 5 DCBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1CC[N@H+]1C ZINC001178455659 770757943 /nfs/dbraw/zinc/75/79/43/770757943.db2.gz KBHHWSRLVNRJNL-GHMZBOCLSA-N 1 1 324.385 0.648 20 5 DCBDMO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC([NH2+]C2COC2)C1 ZINC001157602301 771639610 /nfs/dbraw/zinc/63/96/10/771639610.db2.gz UZHKFOYWZPTRHR-LSDHHAIUSA-N 1 1 317.345 0.898 20 5 DCBDMO Cc1cc([N+](=O)[O-])c(NCCN2CC[NH2+]CC2=O)nc1Cl ZINC001161019628 772150675 /nfs/dbraw/zinc/15/06/75/772150675.db2.gz RDUDHOPLPFFMLR-UHFFFAOYSA-N 1 1 313.745 0.795 20 5 DCBDMO CC(=O)c1ccc(NC[C@@]2(CO)COCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001164046524 772608933 /nfs/dbraw/zinc/60/89/33/772608933.db2.gz MMMZIBMETGCLAA-CQSZACIVSA-N 1 1 309.322 0.560 20 5 DCBDMO CC(C)N1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C[C@H]1C ZINC001165201854 772703807 /nfs/dbraw/zinc/70/38/07/772703807.db2.gz QUVLDHRSFXSOFA-LLVKDONJSA-N 1 1 320.397 0.991 20 5 DCBDMO COc1nc(N2CC([N@@H+](C)[C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC001165203806 772704035 /nfs/dbraw/zinc/70/40/35/772704035.db2.gz GYZZTMIMADQQKP-SNVBAGLBSA-N 1 1 308.338 0.908 20 5 DCBDMO Cc1cc(N2CC[NH2+][C@@H](C(N)=O)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001166724553 772850979 /nfs/dbraw/zinc/85/09/79/772850979.db2.gz VBBDOIOASBTTRX-CYBMUJFWSA-N 1 1 315.333 0.715 20 5 DCBDMO NC(=O)[C@@H](C1CC1)[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC1CC1 ZINC001197087492 773687967 /nfs/dbraw/zinc/68/79/67/773687967.db2.gz XHLFXIAAMCVSKL-CYBMUJFWSA-N 1 1 307.354 0.767 20 5 DCBDMO NC(=O)C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC001197385795 773735873 /nfs/dbraw/zinc/73/58/73/773735873.db2.gz ZQWFQJZUHZAUST-CQSZACIVSA-N 1 1 323.349 0.595 20 5 DCBDMO NC(=O)C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC001197385795 773735878 /nfs/dbraw/zinc/73/58/78/773735878.db2.gz ZQWFQJZUHZAUST-CQSZACIVSA-N 1 1 323.349 0.595 20 5 DCBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001216474341 774118235 /nfs/dbraw/zinc/11/82/35/774118235.db2.gz LIJANMNJFPFZSG-NSHDSACASA-N 1 1 322.369 0.087 20 5 DCBDMO Cc1ncc(C[NH2+]C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)cn1 ZINC001273084368 945242671 /nfs/dbraw/zinc/24/26/71/945242671.db2.gz LNGFUTNHEOWXFT-CHWSQXEVSA-N 1 1 319.365 0.579 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C/C=C/CNC(=O)c1cn[nH]c1 ZINC001268515189 940210012 /nfs/dbraw/zinc/21/00/12/940210012.db2.gz SGJFJSYMMCWFBT-NSCUHMNNSA-N 1 1 319.325 0.127 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(CNC(=O)C(F)F)CC1 ZINC001269356551 940691088 /nfs/dbraw/zinc/69/10/88/940691088.db2.gz SBNKPVQWUJEBFO-UHFFFAOYSA-N 1 1 303.269 0.332 20 5 DCBDMO CCN(CC[NH2+]CC(=O)NC(C)(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001482925006 941713430 /nfs/dbraw/zinc/71/34/30/941713430.db2.gz PMJSFMBKNTYBFK-GHMZBOCLSA-N 1 1 314.386 0.004 20 5 DCBDMO COc1ccc(C[C@H](C)NC[C@H]2C[NH2+]CCN2)c([N+](=O)[O-])c1 ZINC001246488279 945418647 /nfs/dbraw/zinc/41/86/47/945418647.db2.gz JLDSDOGKKCPDJI-WCQYABFASA-N 1 1 308.382 0.685 20 5 DCBDMO C[NH+]1CCN(Cc2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CC1 ZINC001247791181 945574139 /nfs/dbraw/zinc/57/41/39/945574139.db2.gz FCBJNELYBGQHEG-UHFFFAOYSA-N 1 1 322.300 0.926 20 5 DCBDMO CCN(CC[NH2+]Cc1cc(OC)ccn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001273373829 946905702 /nfs/dbraw/zinc/90/57/02/946905702.db2.gz FKFWNLZLKQGXSM-ZIAGYGMSSA-N 1 1 322.365 0.694 20 5 DCBDMO COCC[N@@H+](C)C[C@H](O)CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001327576127 948558500 /nfs/dbraw/zinc/55/85/00/948558500.db2.gz VPSRQBVLWZRBNW-HNNXBMFYSA-N 1 1 309.366 0.850 20 5 DCBDMO CC/C=C\CC[NH+]1CCN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001265258165 949505317 /nfs/dbraw/zinc/50/53/17/949505317.db2.gz AURMDNHYTIBGTN-LPUOJRKPSA-N 1 1 324.425 0.742 20 5 DCBDMO C[NH+]1CC(N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001347772617 954164556 /nfs/dbraw/zinc/16/45/56/954164556.db2.gz NDEIMOVLLYINOX-UHFFFAOYSA-N 1 1 304.350 0.667 20 5 DCBDMO Cc1cccc(C(=O)NCC(=O)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001348042771 954194240 /nfs/dbraw/zinc/19/42/40/954194240.db2.gz JNDJWAKJIBDENV-UHFFFAOYSA-N 1 1 320.349 0.407 20 5 DCBDMO CC1(C)[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC001300189679 955911769 /nfs/dbraw/zinc/91/17/69/955911769.db2.gz VAJAEFAOZLDTCU-GHMZBOCLSA-N 1 1 323.353 0.547 20 5 DCBDMO CCc1n[nH]c(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC001305874083 960113981 /nfs/dbraw/zinc/11/39/81/960113981.db2.gz MPNMVGPPQKZSRN-IQJOONFLSA-N 1 1 307.354 0.950 20 5 DCBDMO Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC001468291272 1016240435 /nfs/dbraw/zinc/24/04/35/1016240435.db2.gz GYOSMDTZCDSCJT-LBPRGKRZSA-N 1 1 322.365 0.754 20 5 DCBDMO NC(=O)C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC001473758958 1016962434 /nfs/dbraw/zinc/96/24/34/1016962434.db2.gz VCRCXHREAHQLKG-UHFFFAOYSA-N 1 1 323.349 0.940 20 5 DCBDMO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1c[nH]nc1[N+](=O)[O-] ZINC001455783715 1009969098 /nfs/dbraw/zinc/96/90/98/1009969098.db2.gz AWOLOAPGBYYBNB-UWVGGRQHSA-N 1 1 311.367 0.628 20 5 DCBDMO O=C(N[C@H]1CCC[N@H+]2CCSC[C@@H]12)c1c[nH]nc1[N+](=O)[O-] ZINC001455783715 1009969110 /nfs/dbraw/zinc/96/91/10/1009969110.db2.gz AWOLOAPGBYYBNB-UWVGGRQHSA-N 1 1 311.367 0.628 20 5 DCBDMO O=C(N[C@H](CO)C[NH+]1CCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001556855113 1012234222 /nfs/dbraw/zinc/23/42/22/1012234222.db2.gz QUWLNHJJHMVDAJ-NSHDSACASA-N 1 1 309.322 0.487 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@@H](Nc3ncc([N+](=O)[O-])cc3C(N)=O)[C@H]2C1 ZINC001559303951 1012419369 /nfs/dbraw/zinc/41/93/69/1012419369.db2.gz JQEXICGFRPOGHD-KPXOXKRLSA-N 1 1 305.338 0.841 20 5 DCBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC001543391291 1012516786 /nfs/dbraw/zinc/51/67/86/1012516786.db2.gz UASBXVRVVVGHOB-NSHDSACASA-N 1 1 320.349 0.357 20 5 DCBDMO CON1CCC([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001460200635 1012873518 /nfs/dbraw/zinc/87/35/18/1012873518.db2.gz AICDMNCYEJVZRF-ZDUSSCGKSA-N 1 1 313.358 0.110 20 5 DCBDMO COC(=O)[C@]1(O)CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001460693923 1012952197 /nfs/dbraw/zinc/95/21/97/1012952197.db2.gz NKFPSPNRBFOMDF-OCCSQVGLSA-N 1 1 310.306 0.238 20 5 DCBDMO COC(=O)[C@]1(O)CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001460693923 1012952203 /nfs/dbraw/zinc/95/22/03/1012952203.db2.gz NKFPSPNRBFOMDF-OCCSQVGLSA-N 1 1 310.306 0.238 20 5 DCBDMO CCN(CC[NH2+]Cc1cncc(F)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001497391048 1018106007 /nfs/dbraw/zinc/10/60/07/1018106007.db2.gz MZVUIPJSWBYHDF-CHWSQXEVSA-N 1 1 310.329 0.824 20 5 DCBDMO O=C(NCC1([NH2+]C/C=C\Cl)CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001500570692 1018496560 /nfs/dbraw/zinc/49/65/60/1018496560.db2.gz JOMPHKHDFDZDJW-UGJREKFNSA-N 1 1 317.773 0.659 20 5 DCBDMO COc1cc(C[NH2+]CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])on1 ZINC001498545077 1019214080 /nfs/dbraw/zinc/21/40/80/1019214080.db2.gz DRQUEHQRFCTFLF-GHMZBOCLSA-N 1 1 312.326 0.287 20 5 DCBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000272634816 210038644 /nfs/dbraw/zinc/03/86/44/210038644.db2.gz XKLOWKJSLCQPST-YPMHNXCESA-N 1 1 322.369 0.527 20 5 DCBDMO O=[N+]([O-])c1cc(F)c(CN2CC[NH+](CCO)CC2)c(F)c1 ZINC000286104701 218794244 /nfs/dbraw/zinc/79/42/44/218794244.db2.gz UWWFBMXURNWAJH-UHFFFAOYSA-N 1 1 301.293 0.983 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000339034053 253023379 /nfs/dbraw/zinc/02/33/79/253023379.db2.gz PLMDDBTUNYJXGA-JTQLQIEISA-N 1 1 310.358 0.328 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000341578264 253397230 /nfs/dbraw/zinc/39/72/30/253397230.db2.gz DRUTZACGRYQYTN-MNOVXSKESA-N 1 1 306.322 0.109 20 5 DCBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000347380382 254152301 /nfs/dbraw/zinc/15/23/01/254152301.db2.gz QSIMWPDQPAKGTH-LBPRGKRZSA-N 1 1 322.369 0.377 20 5 DCBDMO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000347147387 254133684 /nfs/dbraw/zinc/13/36/84/254133684.db2.gz WNWRTALLXQIDIW-NSHDSACASA-N 1 1 323.349 0.829 20 5 DCBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000347147387 254133686 /nfs/dbraw/zinc/13/36/86/254133686.db2.gz WNWRTALLXQIDIW-NSHDSACASA-N 1 1 323.349 0.829 20 5 DCBDMO C[C@H](O)C[N@H+](CCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000289716718 221174729 /nfs/dbraw/zinc/17/47/29/221174729.db2.gz IESCNCTUUPOYHI-NSHDSACASA-N 1 1 323.349 0.159 20 5 DCBDMO C[C@H](O)C[N@@H+](CCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000289716718 221174733 /nfs/dbraw/zinc/17/47/33/221174733.db2.gz IESCNCTUUPOYHI-NSHDSACASA-N 1 1 323.349 0.159 20 5 DCBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000340225129 131230094 /nfs/dbraw/zinc/23/00/94/131230094.db2.gz GIAMNSSONZLJLM-AAEUAGOBSA-N 1 1 309.322 0.155 20 5 DCBDMO CNC(=O)C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000270824324 395812820 /nfs/dbraw/zinc/81/28/20/395812820.db2.gz ZECVEJNPLHMAAB-UHFFFAOYSA-N 1 1 324.337 0.610 20 5 DCBDMO C[NH+](C)CCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000194237098 395791978 /nfs/dbraw/zinc/79/19/78/395791978.db2.gz QUKQTZTVZDJPFA-UHFFFAOYSA-N 1 1 315.351 0.290 20 5 DCBDMO CSC[C@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000135449480 395940386 /nfs/dbraw/zinc/94/03/86/395940386.db2.gz UVKAIVBZYDZEOK-PWSUYJOCSA-N 1 1 300.384 0.980 20 5 DCBDMO CC[N@@H+](CCO)CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000274627228 395962704 /nfs/dbraw/zinc/96/27/04/395962704.db2.gz HFZCXJURSSLOFR-UHFFFAOYSA-N 1 1 324.381 0.751 20 5 DCBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000151059893 395977729 /nfs/dbraw/zinc/97/77/29/395977729.db2.gz XGWNIAPUURSXOI-LBPRGKRZSA-N 1 1 322.369 0.575 20 5 DCBDMO C[C@@H]1C[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C[N@H+]1C1CC1 ZINC000151322895 395983988 /nfs/dbraw/zinc/98/39/88/395983988.db2.gz KHPYNHOYUWJOQD-MNOVXSKESA-N 1 1 322.369 0.716 20 5 DCBDMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000067807066 396033787 /nfs/dbraw/zinc/03/37/87/396033787.db2.gz AIOXXPFGBBVUOW-VIFPVBQESA-N 1 1 309.322 0.935 20 5 DCBDMO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000278062626 396104357 /nfs/dbraw/zinc/10/43/57/396104357.db2.gz WKSIZLHUUHBSHP-GFCCVEGCSA-N 1 1 307.354 0.924 20 5 DCBDMO C[C@@H]1CCSCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000279322878 396166052 /nfs/dbraw/zinc/16/60/52/396166052.db2.gz SMEUYUPFPFISEH-PWSUYJOCSA-N 1 1 300.384 0.980 20 5 DCBDMO C[C@@]1(C(N)=O)CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000280492412 396204384 /nfs/dbraw/zinc/20/43/84/396204384.db2.gz BJPBATWZDPGOSR-SWLSCSKDSA-N 1 1 323.349 0.532 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000077817296 396234627 /nfs/dbraw/zinc/23/46/27/396234627.db2.gz XEFOUJLLMSWDBC-NSHDSACASA-N 1 1 320.349 0.910 20 5 DCBDMO C[N@@H+](CC(=O)NC1CC1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181532468 396239736 /nfs/dbraw/zinc/23/97/36/396239736.db2.gz OWSXUWAMLXMJTP-GFCCVEGCSA-N 1 1 323.349 0.545 20 5 DCBDMO C[N@H+](CC(=O)NC1CC1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181532468 396239740 /nfs/dbraw/zinc/23/97/40/396239740.db2.gz OWSXUWAMLXMJTP-GFCCVEGCSA-N 1 1 323.349 0.545 20 5 DCBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNc1c([N+](=O)[O-])ncn1C ZINC000263689219 396223489 /nfs/dbraw/zinc/22/34/89/396223489.db2.gz JQEKCYFECBVWHV-LLVKDONJSA-N 1 1 324.385 0.683 20 5 DCBDMO CNC(=O)C[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2C)CC1 ZINC000264504352 396286276 /nfs/dbraw/zinc/28/62/76/396286276.db2.gz WIFUXRPVBYORBQ-UHFFFAOYSA-N 1 1 307.354 0.921 20 5 DCBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1COC[C@H]1O ZINC000285424295 396350215 /nfs/dbraw/zinc/35/02/15/396350215.db2.gz DWLHBKCYXVIMKK-RAIGVLPGSA-N 1 1 312.322 0.026 20 5 DCBDMO O=C1NC(=O)[C@]2(CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)N1 ZINC000192637918 396434285 /nfs/dbraw/zinc/43/42/85/396434285.db2.gz JSIMWHKQFKKAKV-CQSZACIVSA-N 1 1 304.306 0.769 20 5 DCBDMO CC(C)C[NH+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC000269662651 396434396 /nfs/dbraw/zinc/43/43/96/396434396.db2.gz WYYAHXZYOVADRR-UHFFFAOYSA-N 1 1 322.365 0.557 20 5 DCBDMO [NH3+][C@@H]1C[C@H]2CN(Cc3cc(O)ccc3[N+](=O)[O-])CCN2C1=O ZINC000594876085 396533565 /nfs/dbraw/zinc/53/35/65/396533565.db2.gz CFCAVYXYIWSWSE-CMPLNLGQSA-N 1 1 306.322 0.044 20 5 DCBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+](CCO)CCOCCO ZINC000595537339 396626754 /nfs/dbraw/zinc/62/67/54/396626754.db2.gz CAESDNYLQIPUCF-UHFFFAOYSA-N 1 1 302.302 0.537 20 5 DCBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+](CCO)CCOCCO ZINC000595537339 396626757 /nfs/dbraw/zinc/62/67/57/396626757.db2.gz CAESDNYLQIPUCF-UHFFFAOYSA-N 1 1 302.302 0.537 20 5 DCBDMO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000302239262 396718799 /nfs/dbraw/zinc/71/87/99/396718799.db2.gz HIMITVUJGJHOOH-JTQLQIEISA-N 1 1 309.374 0.405 20 5 DCBDMO O=CN1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000294210797 396660628 /nfs/dbraw/zinc/66/06/28/396660628.db2.gz MOGXHCIQDXLART-AWEZNQCLSA-N 1 1 323.349 0.499 20 5 DCBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000563989402 396801742 /nfs/dbraw/zinc/80/17/42/396801742.db2.gz HWWVLAPOHXYFSV-LLVKDONJSA-N 1 1 308.338 0.309 20 5 DCBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000600533587 396884998 /nfs/dbraw/zinc/88/49/98/396884998.db2.gz LDVFFZKYNMQGEG-SNVBAGLBSA-N 1 1 323.305 0.120 20 5 DCBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000619578164 397153195 /nfs/dbraw/zinc/15/31/95/397153195.db2.gz BBKMMXKZVDSWRO-GFCCVEGCSA-N 1 1 322.365 0.699 20 5 DCBDMO COC(=O)c1ccnc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000598630383 397265043 /nfs/dbraw/zinc/26/50/43/397265043.db2.gz JRLDPRYOYILSJY-SNVBAGLBSA-N 1 1 322.321 0.032 20 5 DCBDMO COC(=O)c1ccnc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000598630383 397265048 /nfs/dbraw/zinc/26/50/48/397265048.db2.gz JRLDPRYOYILSJY-SNVBAGLBSA-N 1 1 322.321 0.032 20 5 DCBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@H]2COCC[NH2+]2)c1 ZINC000599104527 397337762 /nfs/dbraw/zinc/33/77/62/397337762.db2.gz CTTSGPAQYGYRRB-NSHDSACASA-N 1 1 315.351 0.003 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593854908 397455267 /nfs/dbraw/zinc/45/52/67/397455267.db2.gz MMZPTKLERSMHHZ-GFCCVEGCSA-N 1 1 321.333 0.494 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593854908 397455274 /nfs/dbraw/zinc/45/52/74/397455274.db2.gz MMZPTKLERSMHHZ-GFCCVEGCSA-N 1 1 321.333 0.494 20 5 DCBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000599531226 397465666 /nfs/dbraw/zinc/46/56/66/397465666.db2.gz NOJGLSXWVBZFKN-WOPDTQHZSA-N 1 1 323.349 0.454 20 5 DCBDMO Cc1c(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000593856030 397458110 /nfs/dbraw/zinc/45/81/10/397458110.db2.gz UPTBGFJIBFLQAE-GFCCVEGCSA-N 1 1 305.334 0.794 20 5 DCBDMO Cc1c(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000593856030 397458116 /nfs/dbraw/zinc/45/81/16/397458116.db2.gz UPTBGFJIBFLQAE-GFCCVEGCSA-N 1 1 305.334 0.794 20 5 DCBDMO O=C1C[C@@H]([N@H+]2CCC[C@H]2CO)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000593921185 397480717 /nfs/dbraw/zinc/48/07/17/397480717.db2.gz RDNFQLKAXVVPSQ-QWHCGFSZSA-N 1 1 319.317 0.683 20 5 DCBDMO O=C1C[C@@H]([N@@H+]2CCC[C@H]2CO)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000593921185 397480721 /nfs/dbraw/zinc/48/07/21/397480721.db2.gz RDNFQLKAXVVPSQ-QWHCGFSZSA-N 1 1 319.317 0.683 20 5 DCBDMO CN1C[C@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)CCC1=O ZINC000593994741 397490616 /nfs/dbraw/zinc/49/06/16/397490616.db2.gz IUHHOUCVQJEELS-LLVKDONJSA-N 1 1 308.338 0.309 20 5 DCBDMO C[NH+]1CCN(CCCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000604103799 397631342 /nfs/dbraw/zinc/63/13/42/397631342.db2.gz TWOQERHMSOPTLE-UHFFFAOYSA-N 1 1 309.370 0.680 20 5 DCBDMO NC(=O)[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000051102464 158013179 /nfs/dbraw/zinc/01/31/79/158013179.db2.gz STEIVEOAXANRSF-ZDUSSCGKSA-N 1 1 309.322 0.550 20 5 DCBDMO NC(=O)[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000051102464 158013184 /nfs/dbraw/zinc/01/31/84/158013184.db2.gz STEIVEOAXANRSF-ZDUSSCGKSA-N 1 1 309.322 0.550 20 5 DCBDMO O=C([C@@H]1CSC[NH2+]1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169193103 158373882 /nfs/dbraw/zinc/37/38/82/158373882.db2.gz SYNSEQOTZXOZKF-ONGXEEELSA-N 1 1 323.378 0.665 20 5 DCBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000318609846 159006467 /nfs/dbraw/zinc/00/64/67/159006467.db2.gz QNNZNIKFTCESCD-JTQLQIEISA-N 1 1 305.338 0.882 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H](n3cccn3)C2)c1 ZINC000362888528 159273130 /nfs/dbraw/zinc/27/31/30/159273130.db2.gz JVCOKFANGXNWEL-JSGCOSHPSA-N 1 1 320.353 0.686 20 5 DCBDMO O=C1CO[C@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@@H]2N1 ZINC000366755065 159283139 /nfs/dbraw/zinc/28/31/39/159283139.db2.gz GVUHPTLBSBIGJQ-KBPBESRZSA-N 1 1 305.334 0.727 20 5 DCBDMO NC(=O)C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000367990417 159369315 /nfs/dbraw/zinc/36/93/15/159369315.db2.gz WBENTIUZPAEHFA-JTQLQIEISA-N 1 1 306.322 0.731 20 5 DCBDMO NC(=O)C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000367990417 159369317 /nfs/dbraw/zinc/36/93/17/159369317.db2.gz WBENTIUZPAEHFA-JTQLQIEISA-N 1 1 306.322 0.731 20 5 DCBDMO C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C(N)=O)C1 ZINC000249558361 287113906 /nfs/dbraw/zinc/11/39/06/287113906.db2.gz KTOIXBTUWIMWIP-CMPLNLGQSA-N 1 1 308.338 0.342 20 5 DCBDMO C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C(N)=O)C1 ZINC000249558361 287113907 /nfs/dbraw/zinc/11/39/07/287113907.db2.gz KTOIXBTUWIMWIP-CMPLNLGQSA-N 1 1 308.338 0.342 20 5 DCBDMO O=C(NCC[N@H+]1CCCOCC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000276102813 415428899 /nfs/dbraw/zinc/42/88/99/415428899.db2.gz WPYZXBNAYPTDFY-UHFFFAOYSA-N 1 1 310.310 0.148 20 5 DCBDMO Nc1nc(N2CCC[C@H](C[NH+]3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC000282147563 415578349 /nfs/dbraw/zinc/57/83/49/415578349.db2.gz BNILOMIOAODLNP-LLVKDONJSA-N 1 1 322.369 0.516 20 5 DCBDMO NC(=O)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000130999566 415925183 /nfs/dbraw/zinc/92/51/83/415925183.db2.gz UVZSLNORMQANKQ-LBPRGKRZSA-N 1 1 307.285 0.747 20 5 DCBDMO Cc1c(NC(=O)C(=O)NCC[NH+]2CCC2)cccc1[N+](=O)[O-] ZINC000337498012 415969239 /nfs/dbraw/zinc/96/92/39/415969239.db2.gz KBWDSFJRBOVPDM-UHFFFAOYSA-N 1 1 306.322 0.664 20 5 DCBDMO NS(=O)(=O)[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000357379438 416071614 /nfs/dbraw/zinc/07/16/14/416071614.db2.gz GRBPNFVJINGOLU-GFCCVEGCSA-N 1 1 315.351 0.336 20 5 DCBDMO NS(=O)(=O)[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000357379438 416071618 /nfs/dbraw/zinc/07/16/18/416071618.db2.gz GRBPNFVJINGOLU-GFCCVEGCSA-N 1 1 315.351 0.336 20 5 DCBDMO CNC(=O)CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000170792146 416031961 /nfs/dbraw/zinc/03/19/61/416031961.db2.gz GTUGKCRLETXYCV-SNVBAGLBSA-N 1 1 308.338 0.990 20 5 DCBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000345332026 416079280 /nfs/dbraw/zinc/07/92/80/416079280.db2.gz VYVHSMIDCGRPCJ-UHFFFAOYSA-N 1 1 311.386 0.878 20 5 DCBDMO CN(CCCN(C)C(=O)c1ccc([N+](=O)[O-])[nH]1)CC[NH+](C)C ZINC000345332026 416079284 /nfs/dbraw/zinc/07/92/84/416079284.db2.gz VYVHSMIDCGRPCJ-UHFFFAOYSA-N 1 1 311.386 0.878 20 5 DCBDMO CNC(=O)c1ccc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c([N+](=O)[O-])c1 ZINC000301637031 416088720 /nfs/dbraw/zinc/08/87/20/416088720.db2.gz FMFXIHFFJDCXIH-KGLIPLIRSA-N 1 1 320.349 0.474 20 5 DCBDMO CC[NH+]1CCN([C@@H](C)CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000345433399 416095247 /nfs/dbraw/zinc/09/52/47/416095247.db2.gz FVUUYQZYOLZJPM-JTQLQIEISA-N 1 1 310.358 0.074 20 5 DCBDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2c2ncc([N+](=O)[O-])cn2)CC1 ZINC000302160401 416097235 /nfs/dbraw/zinc/09/72/35/416097235.db2.gz OXOLBKTVIRGNLW-LBPRGKRZSA-N 1 1 320.353 0.128 20 5 DCBDMO CCOC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000182272458 416217703 /nfs/dbraw/zinc/21/77/03/416217703.db2.gz PSGGKRHPECUKJL-NWDGAFQWSA-N 1 1 312.326 0.180 20 5 DCBDMO CCOC(=O)[C@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000182272458 416217707 /nfs/dbraw/zinc/21/77/07/416217707.db2.gz PSGGKRHPECUKJL-NWDGAFQWSA-N 1 1 312.326 0.180 20 5 DCBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])C2)C1 ZINC000583761853 416482391 /nfs/dbraw/zinc/48/23/91/416482391.db2.gz DIZQUYQOQZAMRI-HNNXBMFYSA-N 1 1 319.365 1.130 20 5 DCBDMO Nc1nccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000594236402 416557770 /nfs/dbraw/zinc/55/77/70/416557770.db2.gz NVNIUWZNYFMLBE-ZJUUUORDSA-N 1 1 305.338 0.929 20 5 DCBDMO C[C@@H]1C[N@@H+](CCN(C)Cc2c([N+](=O)[O-])ncn2C)C[C@H](C)O1 ZINC000434699430 416493675 /nfs/dbraw/zinc/49/36/75/416493675.db2.gz KQDBEIYOWGHYKY-TXEJJXNPSA-N 1 1 311.386 0.869 20 5 DCBDMO C[C@@H]1C[N@H+](CCN(C)Cc2c([N+](=O)[O-])ncn2C)C[C@H](C)O1 ZINC000434699430 416493680 /nfs/dbraw/zinc/49/36/80/416493680.db2.gz KQDBEIYOWGHYKY-TXEJJXNPSA-N 1 1 311.386 0.869 20 5 DCBDMO CNc1cc2c(nn1)CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000610447697 416657251 /nfs/dbraw/zinc/65/72/51/416657251.db2.gz ZAOJRHIKQHMINR-UHFFFAOYSA-N 1 1 303.326 0.681 20 5 DCBDMO COC(=O)CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000441387142 416670982 /nfs/dbraw/zinc/67/09/82/416670982.db2.gz POCRZVJPISNLMK-GFCCVEGCSA-N 1 1 314.342 0.426 20 5 DCBDMO CCn1cnnc1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000516275705 416720042 /nfs/dbraw/zinc/72/00/42/416720042.db2.gz YTQYTGPOKOPTES-LBPRGKRZSA-N 1 1 321.337 0.736 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000558668000 416784756 /nfs/dbraw/zinc/78/47/56/416784756.db2.gz MOUGNJWKKIWCMV-UHFFFAOYSA-N 1 1 323.397 0.689 20 5 DCBDMO CCn1cc(S(=O)(=O)NCC[N@@H+](C)C(C)C)c([N+](=O)[O-])n1 ZINC000444171175 416810153 /nfs/dbraw/zinc/81/01/53/416810153.db2.gz VVHGAECTKYPFDA-UHFFFAOYSA-N 1 1 319.387 0.430 20 5 DCBDMO COc1cccc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000444364069 416835974 /nfs/dbraw/zinc/83/59/74/416835974.db2.gz KRTLKJKZCFXABK-CQSZACIVSA-N 1 1 309.322 0.400 20 5 DCBDMO C[N@@H+]1CCO[C@@H](C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444643124 416854895 /nfs/dbraw/zinc/85/48/95/416854895.db2.gz JTNCGBCJJITYTQ-GFCCVEGCSA-N 1 1 319.321 0.418 20 5 DCBDMO C[N@H+]1CCO[C@@H](C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444643124 416854902 /nfs/dbraw/zinc/85/49/02/416854902.db2.gz JTNCGBCJJITYTQ-GFCCVEGCSA-N 1 1 319.321 0.418 20 5 DCBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)NCC[NH+]1CCCC1 ZINC000616067876 416961749 /nfs/dbraw/zinc/96/17/49/416961749.db2.gz MXQFPFFHWFUIMB-UHFFFAOYSA-N 1 1 300.340 0.364 20 5 DCBDMO COC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CC[N@H+](C)C1 ZINC000413919622 417251380 /nfs/dbraw/zinc/25/13/80/417251380.db2.gz MTSJPQHKYONYIQ-JTQLQIEISA-N 1 1 324.337 0.110 20 5 DCBDMO COC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CC[N@@H+](C)C1 ZINC000413919622 417251385 /nfs/dbraw/zinc/25/13/85/417251385.db2.gz MTSJPQHKYONYIQ-JTQLQIEISA-N 1 1 324.337 0.110 20 5 DCBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])[C@@H]2C1 ZINC000570823964 417396335 /nfs/dbraw/zinc/39/63/35/417396335.db2.gz PBQYJFGGJCNUNR-GXSJLCMTSA-N 1 1 305.338 0.738 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1 ZINC000453010488 417517047 /nfs/dbraw/zinc/51/70/47/417517047.db2.gz GLZVRKZIRBDFMX-ILXRZTDVSA-N 1 1 322.365 0.796 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1 ZINC000453010488 417517054 /nfs/dbraw/zinc/51/70/54/417517054.db2.gz GLZVRKZIRBDFMX-ILXRZTDVSA-N 1 1 322.365 0.796 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCSC[C@H]2C2CC2)c1 ZINC000576467315 417611754 /nfs/dbraw/zinc/61/17/54/417611754.db2.gz WQAXXCSQZORCSC-STQMWFEESA-N 1 1 312.395 0.980 20 5 DCBDMO CNc1nccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000579255320 417690261 /nfs/dbraw/zinc/69/02/61/417690261.db2.gz BRIFVTSMJPMIME-CMPLNLGQSA-N 1 1 321.381 1.444 20 5 DCBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531882800 417646924 /nfs/dbraw/zinc/64/69/24/417646924.db2.gz KFXWQRMKHNMPAB-GFCCVEGCSA-N 1 1 321.337 0.059 20 5 DCBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000299483309 229145408 /nfs/dbraw/zinc/14/54/08/229145408.db2.gz GFZDAPCBICUGMW-CHWSQXEVSA-N 1 1 320.349 0.500 20 5 DCBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000356145870 261396882 /nfs/dbraw/zinc/39/68/82/261396882.db2.gz AXVQNGREZQXUCJ-SNVBAGLBSA-N 1 1 307.310 0.954 20 5 DCBDMO COC(=O)[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000413914899 262228194 /nfs/dbraw/zinc/22/81/94/262228194.db2.gz HDRKTNYXQNAJIK-LLVKDONJSA-N 1 1 321.333 0.772 20 5 DCBDMO COC(=O)[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413914899 262228196 /nfs/dbraw/zinc/22/81/96/262228196.db2.gz HDRKTNYXQNAJIK-LLVKDONJSA-N 1 1 321.333 0.772 20 5 DCBDMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000471776216 272031061 /nfs/dbraw/zinc/03/10/61/272031061.db2.gz WUNPUHRIQBYQDF-JTQLQIEISA-N 1 1 324.337 0.632 20 5 DCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491797884 272105188 /nfs/dbraw/zinc/10/51/88/272105188.db2.gz QMRSDQNXKSCKPB-LFAOLKIESA-N 1 1 318.377 0.970 20 5 DCBDMO C[N@H+]1CC[C@@](O)(CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000492602028 272136611 /nfs/dbraw/zinc/13/66/11/272136611.db2.gz HAGKCAMBGIEBME-IDTUSYRASA-N 1 1 305.334 0.791 20 5 DCBDMO CN1C[C@H](C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)OC1=O ZINC000495650194 272261854 /nfs/dbraw/zinc/26/18/54/272261854.db2.gz HAPNQTQEONJHMV-ZYHUDNBSSA-N 1 1 321.337 0.927 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1-c1nc([C@H]2C[N@H+](C)CCN2C)no1 ZINC000545789086 288002205 /nfs/dbraw/zinc/00/22/05/288002205.db2.gz PMCHZIZPIAYDET-LLVKDONJSA-N 1 1 306.326 0.902 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1-c1nc([C@H]2C[N@@H+](C)CCN2C)no1 ZINC000545789086 288002207 /nfs/dbraw/zinc/00/22/07/288002207.db2.gz PMCHZIZPIAYDET-LLVKDONJSA-N 1 1 306.326 0.902 20 5 DCBDMO C[C@H](O)C[NH+]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000554523732 288325843 /nfs/dbraw/zinc/32/58/43/288325843.db2.gz VFGCPQPOSBNSNC-LBPRGKRZSA-N 1 1 322.365 0.803 20 5 DCBDMO CC(C)[N@@H+](C)CCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000302116465 528824944 /nfs/dbraw/zinc/82/49/44/528824944.db2.gz CYWFGODQTQFKSP-UHFFFAOYSA-N 1 1 316.383 0.994 20 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ZINC000983658662 662002614 /nfs/dbraw/zinc/00/26/14/662002614.db2.gz ZJKTVVZEHRMYPD-HBJVGIJOSA-N 1 1 319.365 0.435 20 5 DCBDMO COc1cc(OCC(=O)NC[C@H]2CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000928566141 662131992 /nfs/dbraw/zinc/13/19/92/662131992.db2.gz POMXSXBRCVZWFS-SNVBAGLBSA-N 1 1 309.322 0.803 20 5 DCBDMO C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896563219 662291239 /nfs/dbraw/zinc/29/12/39/662291239.db2.gz KMKMADZPOVVSMR-WFASDCNBSA-N 1 1 320.393 0.888 20 5 DCBDMO C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896563219 662291243 /nfs/dbraw/zinc/29/12/43/662291243.db2.gz KMKMADZPOVVSMR-WFASDCNBSA-N 1 1 320.393 0.888 20 5 DCBDMO C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896563219 662291246 /nfs/dbraw/zinc/29/12/46/662291246.db2.gz KMKMADZPOVVSMR-WFASDCNBSA-N 1 1 320.393 0.888 20 5 DCBDMO CN1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC000897099306 662393740 /nfs/dbraw/zinc/39/37/40/662393740.db2.gz KWVHFJVHVAELLR-UHFFFAOYSA-N 1 1 318.381 0.926 20 5 DCBDMO C[N@H+]1CCC[C@H](N2CCN(Cn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000738209546 663158861 /nfs/dbraw/zinc/15/88/61/663158861.db2.gz COCLVONXTPKVOU-ZDUSSCGKSA-N 1 1 308.386 0.461 20 5 DCBDMO C[N@@H+](CCO)CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000899726808 663182276 /nfs/dbraw/zinc/18/22/76/663182276.db2.gz WDLGKSNGHVHFJI-UHFFFAOYSA-N 1 1 301.730 0.902 20 5 DCBDMO CC(C)(C)NC(=O)CN1CCC(C[NH2+]CC[N+](=O)[O-])CC1 ZINC000905151616 663536259 /nfs/dbraw/zinc/53/62/59/663536259.db2.gz BSYBGHRXCFVAAF-UHFFFAOYSA-N 1 1 300.403 0.479 20 5 DCBDMO COc1c(C(=O)N(C)CC[N@@H+](C)CCO)cccc1[N+](=O)[O-] ZINC000912603767 664191962 /nfs/dbraw/zinc/19/19/62/664191962.db2.gz BYIBEYMPGQVLFP-UHFFFAOYSA-N 1 1 311.338 0.600 20 5 DCBDMO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2nnnn2C2CC2)cc1 ZINC000915355526 664891885 /nfs/dbraw/zinc/89/18/85/664891885.db2.gz XKMFFXDMNBPWLX-LBPRGKRZSA-N 1 1 304.310 0.739 20 5 DCBDMO Cc1nccnc1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996442465 666786532 /nfs/dbraw/zinc/78/65/32/666786532.db2.gz WMAUXQQAPVNQLC-TZMCWYRMSA-N 1 1 319.365 0.531 20 5 DCBDMO C[C@H](c1nc(CCC(C)(C)[N+](=O)[O-])no1)N1CC[NH2+]CC1=O ZINC000863674675 667167949 /nfs/dbraw/zinc/16/79/49/667167949.db2.gz JBPAIWYUUZDVFV-SECBINFHSA-N 1 1 311.342 0.550 20 5 DCBDMO O=[N+]([O-])c1cccc(OC[C@H](O)CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923516040 667551915 /nfs/dbraw/zinc/55/19/15/667551915.db2.gz SGRLYQTUYAAONK-GZBFAFLISA-N 1 1 321.377 0.876 20 5 DCBDMO NC(=O)C1([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])CCCC1 ZINC000746475575 667879431 /nfs/dbraw/zinc/87/94/31/667879431.db2.gz QNVFRDVGGWHEGI-UHFFFAOYSA-N 1 1 306.322 0.921 20 5 DCBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000887927698 667931174 /nfs/dbraw/zinc/93/11/74/667931174.db2.gz FFJVGZISTSBVQU-YGRLFVJLSA-N 1 1 306.322 0.719 20 5 DCBDMO CCc1n[nH]c(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000887934622 667932893 /nfs/dbraw/zinc/93/28/93/667932893.db2.gz OEQUVCKAAKMUKN-LKFCYVNXSA-N 1 1 307.354 0.904 20 5 DCBDMO CCc1[nH]nc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000887934622 667932895 /nfs/dbraw/zinc/93/28/95/667932895.db2.gz OEQUVCKAAKMUKN-LKFCYVNXSA-N 1 1 307.354 0.904 20 5 DCBDMO CCc1[nH]nc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000887934622 667932897 /nfs/dbraw/zinc/93/28/97/667932897.db2.gz OEQUVCKAAKMUKN-LKFCYVNXSA-N 1 1 307.354 0.904 20 5 DCBDMO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000839703449 668135711 /nfs/dbraw/zinc/13/57/11/668135711.db2.gz DLEODPWIJVAZER-MGPQQGTHSA-N 1 1 310.398 0.279 20 5 DCBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)[C@@H]1C[N@H+](C)CCO1 ZINC000758384045 668170949 /nfs/dbraw/zinc/17/09/49/668170949.db2.gz PSUGVWRVKUKGQE-KCJUWKMLSA-N 1 1 309.326 0.021 20 5 DCBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)[C@@H]1C[N@@H+](C)CCO1 ZINC000758384045 668170953 /nfs/dbraw/zinc/17/09/53/668170953.db2.gz PSUGVWRVKUKGQE-KCJUWKMLSA-N 1 1 309.326 0.021 20 5 DCBDMO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000769496501 668650483 /nfs/dbraw/zinc/65/04/83/668650483.db2.gz KOXVFXAXYWTODG-FZMZJTMJSA-N 1 1 321.333 0.893 20 5 DCBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000769496501 668650485 /nfs/dbraw/zinc/65/04/85/668650485.db2.gz KOXVFXAXYWTODG-FZMZJTMJSA-N 1 1 321.333 0.893 20 5 DCBDMO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588850 668878656 /nfs/dbraw/zinc/87/86/56/668878656.db2.gz CQPZWHMTUKGUJN-RDBSUJKOSA-N 1 1 305.334 0.981 20 5 DCBDMO C[N@H+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000931406836 669195634 /nfs/dbraw/zinc/19/56/34/669195634.db2.gz RKOUOBASEHAMPR-CQSZACIVSA-N 1 1 322.365 0.532 20 5 DCBDMO CN1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000931406836 669195636 /nfs/dbraw/zinc/19/56/36/669195636.db2.gz RKOUOBASEHAMPR-CQSZACIVSA-N 1 1 322.365 0.532 20 5 DCBDMO CN1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000931406836 669195638 /nfs/dbraw/zinc/19/56/38/669195638.db2.gz RKOUOBASEHAMPR-CQSZACIVSA-N 1 1 322.365 0.532 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000933437297 669492287 /nfs/dbraw/zinc/49/22/87/669492287.db2.gz ZYTUUWKSFJZDPA-PWSUYJOCSA-N 1 1 309.370 0.898 20 5 DCBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOC[C@H]2C[C@@H]2CCOC2)c1 ZINC000933676022 669518048 /nfs/dbraw/zinc/51/80/48/669518048.db2.gz RCSSPYAHUQAPPT-QWHCGFSZSA-N 1 1 310.354 0.919 20 5 DCBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCOC[C@H]2C[C@@H]2CCOC2)c1 ZINC000933676022 669518050 /nfs/dbraw/zinc/51/80/50/669518050.db2.gz RCSSPYAHUQAPPT-QWHCGFSZSA-N 1 1 310.354 0.919 20 5 DCBDMO NC(=O)[C@@H]1C[N@H+](Cn2cc([N+](=O)[O-])cn2)C[C@H]1c1ccccc1 ZINC000840178342 670452852 /nfs/dbraw/zinc/45/28/52/670452852.db2.gz RNHYPVPTRQAZHT-UONOGXRCSA-N 1 1 315.333 0.950 20 5 DCBDMO NC(=O)[C@@H]1C[N@@H+](Cn2cc([N+](=O)[O-])cn2)C[C@H]1c1ccccc1 ZINC000840178342 670452854 /nfs/dbraw/zinc/45/28/54/670452854.db2.gz RNHYPVPTRQAZHT-UONOGXRCSA-N 1 1 315.333 0.950 20 5 DCBDMO NC(=O)c1ccnc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000811782106 670549347 /nfs/dbraw/zinc/54/93/47/670549347.db2.gz GMROMKFQUVJJIQ-UWVGGRQHSA-N 1 1 321.337 0.364 20 5 DCBDMO C[C@@H](CN1CCN(C)CC1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819032005 671086772 /nfs/dbraw/zinc/08/67/72/671086772.db2.gz BEWYWPHZMZUTMP-XJKSGUPXSA-N 1 1 322.409 0.854 20 5 DCBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825411353 671460657 /nfs/dbraw/zinc/46/06/57/671460657.db2.gz PDQRBVDDKWXYHV-RISCZKNCSA-N 1 1 305.334 0.981 20 5 DCBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000834593369 671772755 /nfs/dbraw/zinc/77/27/55/671772755.db2.gz PZPFOGYXZAYYAQ-NWDGAFQWSA-N 1 1 323.328 0.830 20 5 DCBDMO CCc1nc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001020139604 693710892 /nfs/dbraw/zinc/71/08/92/693710892.db2.gz HNYMDQKGEITUIA-DDHJBXDOSA-N 1 1 322.365 0.947 20 5 DCBDMO CCOCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001570051988 1161393248 /nfs/dbraw/zinc/39/32/48/1161393248.db2.gz FJYNJYYNJFAIRA-CHWSQXEVSA-N 1 1 311.382 0.613 20 5 DCBDMO C[C@@H]1[C@@H](CO)CCN1C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001576574746 1164399923 /nfs/dbraw/zinc/39/99/23/1164399923.db2.gz YGOIIAFFWILTDN-UEKVPHQBSA-N 1 1 307.350 0.998 20 5 DCBDMO C[C@H]1[C@@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[N@H+]1C ZINC001590177351 1166800835 /nfs/dbraw/zinc/80/08/35/1166800835.db2.gz CYTOPMBJDVJWRQ-CBAPKCEASA-N 1 1 304.314 0.674 20 5 DCBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H]1O ZINC001590310366 1166857066 /nfs/dbraw/zinc/85/70/66/1166857066.db2.gz VPWCGIHGEFWLMG-PRHODGIISA-N 1 1 304.310 0.588 20 5 DCBDMO C[N@H+]1CC[C@@](O)(CNc2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])C1 ZINC001591180695 1167132012 /nfs/dbraw/zinc/13/20/12/1167132012.db2.gz PURGWTVDNYXULO-CYBMUJFWSA-N 1 1 319.325 0.253 20 5 DCBDMO COCC[N@@H+](C)CCNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001591420910 1167278506 /nfs/dbraw/zinc/27/85/06/1167278506.db2.gz SENKPBXEPWVLKW-UHFFFAOYSA-N 1 1 321.341 0.765 20 5 DCBDMO C[C@@H]1CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC001591774112 1167374598 /nfs/dbraw/zinc/37/45/98/1167374598.db2.gz UHBVRYYFUSZIGS-DTORHVGOSA-N 1 1 318.341 0.699 20 5 DCBDMO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001603834359 1169408629 /nfs/dbraw/zinc/40/86/29/1169408629.db2.gz JTOWBUVERNLOQC-ZJUUUORDSA-N 1 1 318.337 0.978 20 5 DCBDMO C[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1 ZINC001604862294 1169716794 /nfs/dbraw/zinc/71/67/94/1169716794.db2.gz BDIBSOSWRMLVSM-MRVPVSSYSA-N 1 1 318.341 0.863 20 5 DCBDMO CO[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001605144741 1169843061 /nfs/dbraw/zinc/84/30/61/1169843061.db2.gz GORFCYSMWTUBGS-LLVKDONJSA-N 1 1 304.310 0.996 20 5 DCBDMO CCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@H]1CC(=O)N(C)C1=O ZINC001617473756 1171387996 /nfs/dbraw/zinc/38/79/96/1171387996.db2.gz KDRVYNSDLQOSBI-NSHDSACASA-N 1 1 323.353 0.569 20 5 DCBDMO CO[C@@H]1COCC[C@@H]1[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001620540554 1171403828 /nfs/dbraw/zinc/40/38/28/1171403828.db2.gz RPKNINUNWACOJV-GXTWGEPZSA-N 1 1 323.349 0.929 20 5 DCBDMO Cc1cc(S(=O)(=O)NCC[N@H+](C)CCO)c([N+](=O)[O-])s1 ZINC001622552405 1171427207 /nfs/dbraw/zinc/42/72/07/1171427207.db2.gz AHYBUUNYPOJRQO-UHFFFAOYSA-N 1 1 323.396 0.167 20 5 DCBDMO Cc1cc(S(=O)(=O)NCC[N@@H+](C)CCO)c([N+](=O)[O-])s1 ZINC001622552405 1171427212 /nfs/dbraw/zinc/42/72/12/1171427212.db2.gz AHYBUUNYPOJRQO-UHFFFAOYSA-N 1 1 323.396 0.167 20 5 DCBDMO CCc1[nH]nc(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001635942218 1171718270 /nfs/dbraw/zinc/71/82/70/1171718270.db2.gz QTHXNQKXNDKIKV-MRVPVSSYSA-N 1 1 309.326 0.083 20 5 DCBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3[nH]nc([N+](=O)[O-])c3Cl)C[C@]2(C)C1 ZINC001636345100 1171733375 /nfs/dbraw/zinc/73/33/75/1171733375.db2.gz OBJGMTLMQAXCML-KRTXAFLBSA-N 1 1 313.745 0.995 20 5 DCBDMO Cn1c(=O)c([N+](=O)[O-])c(NCC[N@@H+](C)CCO)c2ccccc21 ZINC001640396661 1171879176 /nfs/dbraw/zinc/87/91/76/1171879176.db2.gz QYYWAVSVNHFKKR-UHFFFAOYSA-N 1 1 320.349 0.783 20 5 DCBDMO COC[C@@]1(CO)CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001643116881 1171965784 /nfs/dbraw/zinc/96/57/84/1171965784.db2.gz DNJTYWKWPPLDMC-GJZGRUSLSA-N 1 1 310.350 0.959 20 5 DCBDMO Cn1cc(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)c([N+](=O)[O-])n1 ZINC001645327592 1172037266 /nfs/dbraw/zinc/03/72/66/1172037266.db2.gz AWPRJZGJOFXYNM-GFCCVEGCSA-N 1 1 320.353 0.997 20 5 DCBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC([NH2+]C2COC2)C1 ZINC001648029957 1173064663 /nfs/dbraw/zinc/06/46/63/1173064663.db2.gz IVWVZEMOOWJPFF-UHFFFAOYSA-N 1 1 309.297 0.476 20 5 DCBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001651383834 1173748108 /nfs/dbraw/zinc/74/81/08/1173748108.db2.gz PFQVKJOZUFMSBD-WDEREUQCSA-N 1 1 305.338 0.762 20 5 DCBDMO O=C(COc1cccc([N+](=O)[O-])c1)N1CC([NH2+]C2COC2)C1 ZINC001652949225 1173779561 /nfs/dbraw/zinc/77/95/61/1173779561.db2.gz BXMPIKODAOVATD-UHFFFAOYSA-N 1 1 307.306 0.173 20 5 DCBDMO NC(=O)c1csc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)n1 ZINC001658580640 1173923180 /nfs/dbraw/zinc/92/31/80/1173923180.db2.gz ZKAGQQYOKPUXNI-UHFFFAOYSA-N 1 1 322.350 0.840 20 5 DCBDMO CNC(=O)NC[C@@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC001659789954 1173935618 /nfs/dbraw/zinc/93/56/18/1173935618.db2.gz VMBLUHGGBXEHQD-NSHDSACASA-N 1 1 310.358 0.575 20 5 DCBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)NCc1cccc([N+](=O)[O-])c1 ZINC001678007238 1175614837 /nfs/dbraw/zinc/61/48/37/1175614837.db2.gz CBGOEJRRPJUNMK-ZDUSSCGKSA-N 1 1 308.338 0.461 20 5 DCBDMO CN(CCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)CC(N)=O ZINC001700183717 1178521794 /nfs/dbraw/zinc/52/17/94/1178521794.db2.gz OBXSHYHRJBCBTE-UHFFFAOYSA-N 1 1 322.365 0.751 20 5 DCBDMO CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cncn1C ZINC001707451279 1180514784 /nfs/dbraw/zinc/51/47/84/1180514784.db2.gz FRAYJZPHHQKJPV-CHWSQXEVSA-N 1 1 309.370 0.414 20 5 DCBDMO CC[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cncn1C ZINC001707451279 1180514787 /nfs/dbraw/zinc/51/47/87/1180514787.db2.gz FRAYJZPHHQKJPV-CHWSQXEVSA-N 1 1 309.370 0.414 20 5 DCBDMO CC[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cncn1C ZINC001707451279 1180514790 /nfs/dbraw/zinc/51/47/90/1180514790.db2.gz FRAYJZPHHQKJPV-CHWSQXEVSA-N 1 1 309.370 0.414 20 5 DCBDMO Cc1noc(CCC[N@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001713451811 1180830510 /nfs/dbraw/zinc/83/05/10/1180830510.db2.gz UQCBSFJZSKABRT-GHMZBOCLSA-N 1 1 311.342 0.024 20 5 DCBDMO Cc1noc(CCC[N@@H+](C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001713451811 1180830518 /nfs/dbraw/zinc/83/05/18/1180830518.db2.gz UQCBSFJZSKABRT-GHMZBOCLSA-N 1 1 311.342 0.024 20 5 DCBDMO Cc1noc(CCC[N@H+](C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001713451811 1180830531 /nfs/dbraw/zinc/83/05/31/1180830531.db2.gz UQCBSFJZSKABRT-GHMZBOCLSA-N 1 1 311.342 0.024 20 5 DCBDMO O=C(NC1(C[NH2+]C/C=C\Cl)CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001724914453 1184617290 /nfs/dbraw/zinc/61/72/90/1184617290.db2.gz BUAUJKFQNNVKSO-UGJREKFNSA-N 1 1 317.773 0.659 20 5 DCBDMO C[N@H+](CCCNC(=O)C(N)=O)Cc1csc([N+](=O)[O-])c1 ZINC001731262348 1185226087 /nfs/dbraw/zinc/22/60/87/1185226087.db2.gz LGUAQFOVROSORL-UHFFFAOYSA-N 1 1 300.340 0.080 20 5 DCBDMO C[N@@H+](CCCNC(=O)C(N)=O)Cc1csc([N+](=O)[O-])c1 ZINC001731262348 1185226094 /nfs/dbraw/zinc/22/60/94/1185226094.db2.gz LGUAQFOVROSORL-UHFFFAOYSA-N 1 1 300.340 0.080 20 5 DCBDMO CN(CC[NH2+]Cc1ccc2nonc2c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001731908452 1185565423 /nfs/dbraw/zinc/56/54/23/1185565423.db2.gz LUSZZMBZNASLPV-ZWNOBZJWSA-N 1 1 319.321 0.436 20 5 DCBDMO Cc1cc(C[NH2+]C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)ncn1 ZINC001754980685 1188986365 /nfs/dbraw/zinc/98/63/65/1188986365.db2.gz MYPLPDRYNBLUFE-CHWSQXEVSA-N 1 1 319.365 0.579 20 5 DCBDMO C[C@@H]1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)[C@@H](C)CN1C ZINC001164636511 719258456 /nfs/dbraw/zinc/25/84/56/719258456.db2.gz TYIOLQJKBUAANP-ZJUUUORDSA-N 1 1 306.370 0.600 20 5 DCBDMO C[N@H+]1CCO[C@H]2CN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H]21 ZINC001164669334 719382803 /nfs/dbraw/zinc/38/28/03/719382803.db2.gz UTVULMKKVPUGNZ-QWRGUYRKSA-N 1 1 309.282 0.417 20 5 DCBDMO C[NH+](C)/C=C/c1cc(N2CCO[C@@H](C(N)=O)C2)ncc1[N+](=O)[O-] ZINC001167075971 746943204 /nfs/dbraw/zinc/94/32/04/746943204.db2.gz WGDFYBNGEPGVCI-AAOUONPWSA-N 1 1 321.337 0.213 20 5 DCBDMO COc1cccc(OCC[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001126936202 750148368 /nfs/dbraw/zinc/14/83/68/750148368.db2.gz AHDVTPDIGVSJNM-ZIAGYGMSSA-N 1 1 323.349 0.445 20 5 DCBDMO COc1cccc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1C ZINC001126936959 750149618 /nfs/dbraw/zinc/14/96/18/750149618.db2.gz YPVFYHHYZXTEBL-CHWSQXEVSA-N 1 1 307.350 0.875 20 5 DCBDMO NC1(Cc2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CC[NH2+]CC1 ZINC001212171285 750539980 /nfs/dbraw/zinc/53/99/80/750539980.db2.gz SRPIGIOZULXVSQ-UHFFFAOYSA-N 1 1 322.300 0.802 20 5 DCBDMO O=C(NC[C@H]1C[C@H]([NH2+]CC2CCOCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086364176 760106669 /nfs/dbraw/zinc/10/66/69/760106669.db2.gz VZXLLQXJBMRWTC-AAVRWANBSA-N 1 1 311.382 0.563 20 5 DCBDMO Cc1n[nH]c(C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1[N+](=O)[O-] ZINC001118794069 766436238 /nfs/dbraw/zinc/43/62/38/766436238.db2.gz KNSLATCJAZDARA-LLVKDONJSA-N 1 1 323.353 0.298 20 5 DCBDMO Cc1[nH]nc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1[N+](=O)[O-] ZINC001118794069 766436240 /nfs/dbraw/zinc/43/62/40/766436240.db2.gz KNSLATCJAZDARA-LLVKDONJSA-N 1 1 323.353 0.298 20 5 DCBDMO Cc1[nH]nc(C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1[N+](=O)[O-] ZINC001118794069 766436248 /nfs/dbraw/zinc/43/62/48/766436248.db2.gz KNSLATCJAZDARA-LLVKDONJSA-N 1 1 323.353 0.298 20 5 DCBDMO C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@H]1CN(C)CCN1C ZINC001120873074 767283036 /nfs/dbraw/zinc/28/30/36/767283036.db2.gz CJMGSGXKCGVPLM-WDEREUQCSA-N 1 1 319.369 0.684 20 5 DCBDMO C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@H]1CN(C)CC[N@@H+]1C ZINC001120873074 767283038 /nfs/dbraw/zinc/28/30/38/767283038.db2.gz CJMGSGXKCGVPLM-WDEREUQCSA-N 1 1 319.369 0.684 20 5 DCBDMO C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@H]1CN(C)CC[N@H+]1C ZINC001120873074 767283040 /nfs/dbraw/zinc/28/30/40/767283040.db2.gz CJMGSGXKCGVPLM-WDEREUQCSA-N 1 1 319.369 0.684 20 5 DCBDMO CCC[N@@H+](C)CC(=O)NCCNc1ncc([N+](=O)[O-])cc1F ZINC001093788290 768726401 /nfs/dbraw/zinc/72/64/01/768726401.db2.gz XEZPPFHLDWYWBS-UHFFFAOYSA-N 1 1 313.333 0.999 20 5 DCBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)n1 ZINC001155569575 770546602 /nfs/dbraw/zinc/54/66/02/770546602.db2.gz HLXBXAKRZGGNPI-KBUNVGBDSA-N 1 1 312.717 0.337 20 5 DCBDMO C[N@H+]1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C(C)(C)C1 ZINC001178709643 770845036 /nfs/dbraw/zinc/84/50/36/770845036.db2.gz QURSFDJGAOSVBA-LLVKDONJSA-N 1 1 308.338 0.213 20 5 DCBDMO O=C(NCCC[NH2+]Cc1nccn1C(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC001157760329 771664689 /nfs/dbraw/zinc/66/46/89/771664689.db2.gz CCQTZFMMSMGQSN-RKDXNWHRSA-N 1 1 317.296 0.539 20 5 DCBDMO CC(C)(C)n1cc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001157767511 771666045 /nfs/dbraw/zinc/66/60/45/771666045.db2.gz PNMIBFNEHWIGIL-CHWSQXEVSA-N 1 1 323.397 0.899 20 5 DCBDMO COc1ccc(CC[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001157775019 771670732 /nfs/dbraw/zinc/67/07/32/771670732.db2.gz IADQZSORYMAIPX-HUUCEWRRSA-N 1 1 321.377 0.999 20 5 DCBDMO COc1nc(N2CC([N@@H+](C)[C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC001158725230 771814614 /nfs/dbraw/zinc/81/46/14/771814614.db2.gz GYZZTMIMADQQKP-JTQLQIEISA-N 1 1 308.338 0.908 20 5 DCBDMO CCOC(=O)C1=C(Nc2nc(C)ncc2[N+](=O)[O-])CC[NH2+]C1 ZINC001159453632 771912416 /nfs/dbraw/zinc/91/24/16/771912416.db2.gz XJODSPVTXISEDI-UHFFFAOYSA-N 1 1 307.310 0.916 20 5 DCBDMO CC[C@@]([NH3+])(CO)Nc1nc(Cl)nc(C(=O)OC)c1[N+](=O)[O-] ZINC001159744494 771950842 /nfs/dbraw/zinc/95/08/42/771950842.db2.gz XHHPMMDONHEMQR-JTQLQIEISA-N 1 1 319.705 0.294 20 5 DCBDMO COC(=O)c1nc(Cl)nc(N[C@@H](N)CCC[NH3+])c1[N+](=O)[O-] ZINC001159779939 771956841 /nfs/dbraw/zinc/95/68/41/771956841.db2.gz LZFOOISLDLWUMM-RXMQYKEDSA-N 1 1 318.721 0.260 20 5 DCBDMO CNC(=O)C[NH+]1CCC(Nc2cc(OC)c([N+](=O)[O-])cn2)CC1 ZINC001161135827 772173145 /nfs/dbraw/zinc/17/31/45/772173145.db2.gz NWTJALMYRYQBLT-UHFFFAOYSA-N 1 1 323.353 0.621 20 5 DCBDMO C[N@@H+]1CC[C@@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC001187677140 772209405 /nfs/dbraw/zinc/20/94/05/772209405.db2.gz JNRAVMINZXDELL-MRVPVSSYSA-N 1 1 300.340 0.358 20 5 DCBDMO C[N@H+]1CC[C@@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC001187677140 772209409 /nfs/dbraw/zinc/20/94/09/772209409.db2.gz JNRAVMINZXDELL-MRVPVSSYSA-N 1 1 300.340 0.358 20 5 DCBDMO NC(=O)[C@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[NH2+]1 ZINC001166725206 772851014 /nfs/dbraw/zinc/85/10/14/772851014.db2.gz DQTHAJLWKXZTGA-GFCCVEGCSA-N 1 1 301.306 0.407 20 5 DCBDMO O=C(NCC[N@@H+](CCn1cccn1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267325212 939425243 /nfs/dbraw/zinc/42/52/43/939425243.db2.gz FTHYRHHIUUMAEZ-CHWSQXEVSA-N 1 1 307.354 0.129 20 5 DCBDMO O=C(NCC[N@H+](CCn1cccn1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001267325212 939425245 /nfs/dbraw/zinc/42/52/45/939425245.db2.gz FTHYRHHIUUMAEZ-CHWSQXEVSA-N 1 1 307.354 0.129 20 5 DCBDMO O=C(NCC[N@@H+](CCn1cccn1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001267325212 939425248 /nfs/dbraw/zinc/42/52/48/939425248.db2.gz FTHYRHHIUUMAEZ-CHWSQXEVSA-N 1 1 307.354 0.129 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(CNC(=O)c2ccoc2)CC1 ZINC001269373495 940694739 /nfs/dbraw/zinc/69/47/39/940694739.db2.gz BJFPXNGPPUEOIR-UHFFFAOYSA-N 1 1 319.321 0.974 20 5 DCBDMO CCN(CC[NH2+]Cc1c(C)nnn1CC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001482925048 941713476 /nfs/dbraw/zinc/71/34/76/941713476.db2.gz QFTTZDJGPMFZRA-VXGBXAGGSA-N 1 1 324.385 0.210 20 5 DCBDMO CN(CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C(N)=O ZINC001280850379 944657295 /nfs/dbraw/zinc/65/72/95/944657295.db2.gz PQVPEKSKTSJUPB-UHFFFAOYSA-N 1 1 308.338 0.360 20 5 DCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC001253923991 946203826 /nfs/dbraw/zinc/20/38/26/946203826.db2.gz WJOQDWDXVCUNEG-UHFFFAOYSA-N 1 1 324.385 0.086 20 5 DCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NCCC[N@@H+]1CCCN(C)CC1 ZINC001253923991 946203836 /nfs/dbraw/zinc/20/38/36/946203836.db2.gz WJOQDWDXVCUNEG-UHFFFAOYSA-N 1 1 324.385 0.086 20 5 DCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NCCC[N@H+]1CCCN(C)CC1 ZINC001253923991 946203845 /nfs/dbraw/zinc/20/38/45/946203845.db2.gz WJOQDWDXVCUNEG-UHFFFAOYSA-N 1 1 324.385 0.086 20 5 DCBDMO Cc1[nH+]ccn1CCCCNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001323147049 946949392 /nfs/dbraw/zinc/94/93/92/946949392.db2.gz TWNBMRNRJJKPGL-UHFFFAOYSA-N 1 1 307.314 0.288 20 5 DCBDMO COc1c(O)ccc(C[N@@H+]2CCC(CO)(CO)C2)c1[N+](=O)[O-] ZINC001462466870 1013070647 /nfs/dbraw/zinc/07/06/47/1013070647.db2.gz LCOOOQOCPPRXSY-UHFFFAOYSA-N 1 1 312.322 0.486 20 5 DCBDMO COc1c(O)ccc(C[N@H+]2CCC(CO)(CO)C2)c1[N+](=O)[O-] ZINC001462466870 1013070659 /nfs/dbraw/zinc/07/06/59/1013070659.db2.gz LCOOOQOCPPRXSY-UHFFFAOYSA-N 1 1 312.322 0.486 20 5 DCBDMO O=C1NCCN1CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001462592895 1013073031 /nfs/dbraw/zinc/07/30/31/1013073031.db2.gz XUJRXTUXAJLKNW-UHFFFAOYSA-N 1 1 305.294 0.851 20 5 DCBDMO Cn1nccc1CC[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001264985189 949142009 /nfs/dbraw/zinc/14/20/09/949142009.db2.gz PGDMKCJGGMIELU-CHWSQXEVSA-N 1 1 309.370 0.066 20 5 DCBDMO Cn1nccc1CC[N@H+](C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001264985189 949142019 /nfs/dbraw/zinc/14/20/19/949142019.db2.gz PGDMKCJGGMIELU-CHWSQXEVSA-N 1 1 309.370 0.066 20 5 DCBDMO Cn1nccc1CC[N@@H+](C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001264985189 949142032 /nfs/dbraw/zinc/14/20/32/949142032.db2.gz PGDMKCJGGMIELU-CHWSQXEVSA-N 1 1 309.370 0.066 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001330487013 950449387 /nfs/dbraw/zinc/44/93/87/950449387.db2.gz IPIVITCIKKOHQH-RYUDHWBXSA-N 1 1 306.322 0.271 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001330487009 950450810 /nfs/dbraw/zinc/45/08/10/950450810.db2.gz IPIVITCIKKOHQH-NEPJUHHUSA-N 1 1 306.322 0.271 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C/C=C/CNC(=O)c1ncc[nH]1 ZINC001274011130 951323754 /nfs/dbraw/zinc/32/37/54/951323754.db2.gz UVBPAYCXOXSGLU-NSCUHMNNSA-N 1 1 319.325 0.127 20 5 DCBDMO COc1cccc(NCC(=O)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001336501179 952710436 /nfs/dbraw/zinc/71/04/36/952710436.db2.gz IMSVLIPDCJNOTA-UHFFFAOYSA-N 1 1 308.338 0.789 20 5 DCBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)C1 ZINC001336943394 952788307 /nfs/dbraw/zinc/78/83/07/952788307.db2.gz SJOJDLIORVESOI-NSHDSACASA-N 1 1 320.349 0.970 20 5 DCBDMO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001339467637 953096567 /nfs/dbraw/zinc/09/65/67/953096567.db2.gz PDWIDOMXHQBTHA-RYUDHWBXSA-N 1 1 324.385 0.547 20 5 DCBDMO CCn1c(C[N+](=O)[O-])nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001340868422 953200498 /nfs/dbraw/zinc/20/04/98/953200498.db2.gz XZRLOJNSQYMFFX-LBPRGKRZSA-N 1 1 324.385 0.233 20 5 DCBDMO C[C@@H](COC(=O)c1nn(C)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC001347282852 954061576 /nfs/dbraw/zinc/06/15/76/954061576.db2.gz CYRCHYUQHSAGRH-SNVBAGLBSA-N 1 1 312.326 0.453 20 5 DCBDMO COc1ccc([N+](=O)[O-])c(NCC(=O)N2CC[NH+](C)CC2)c1 ZINC001347785472 954165286 /nfs/dbraw/zinc/16/52/86/954165286.db2.gz XZJSMMKCYUZYFJ-UHFFFAOYSA-N 1 1 308.338 0.789 20 5 DCBDMO Cc1c(C(=O)NCC(=O)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC001348075546 954196998 /nfs/dbraw/zinc/19/69/98/954196998.db2.gz LWFCJAXYXSJFEO-UHFFFAOYSA-N 1 1 320.349 0.407 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001348128487 954204712 /nfs/dbraw/zinc/20/47/12/954204712.db2.gz VQCFVCPPRPPFGP-SDDRHHMPSA-N 1 1 307.354 0.556 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC001348747921 954453518 /nfs/dbraw/zinc/45/35/18/954453518.db2.gz PSOMZRMQRJEXSK-QJPTWQEYSA-N 1 1 320.349 0.213 20 5 DCBDMO Cc1c(C(=O)N2CCN(C3C[NH+](C)C3)CC2)cccc1[N+](=O)[O-] ZINC001349328005 954709111 /nfs/dbraw/zinc/70/91/11/954709111.db2.gz XRDHYMLEDBGZKY-UHFFFAOYSA-N 1 1 318.377 0.975 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(c3nnc(C[N+](=O)[O-])n3CC3CC3)CC[C@@H]21 ZINC001350509440 955119144 /nfs/dbraw/zinc/11/91/44/955119144.db2.gz SGIKSYMMZXVUSH-OLZOCXBDSA-N 1 1 320.397 0.995 20 5 DCBDMO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1nnnn1C ZINC001353230576 955985764 /nfs/dbraw/zinc/98/57/64/955985764.db2.gz DAMHNZYXSDIIFY-UWVGGRQHSA-N 1 1 322.325 0.209 20 5 DCBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@@H]1C[N@@H+](C)CCN1C ZINC001465293010 1015993896 /nfs/dbraw/zinc/99/38/96/1015993896.db2.gz GKXCVLOZESSJIQ-HZMBPMFUSA-N 1 1 321.381 0.541 20 5 DCBDMO C[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC001465946115 1016036080 /nfs/dbraw/zinc/03/60/80/1016036080.db2.gz XRSIXPJQWFIWLF-MFKMUULPSA-N 1 1 322.369 0.168 20 5 DCBDMO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC001471002725 1016512238 /nfs/dbraw/zinc/51/22/38/1016512238.db2.gz ZMMVQTXXGPZNJG-NSHDSACASA-N 1 1 323.349 0.875 20 5 DCBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC001471002725 1016512248 /nfs/dbraw/zinc/51/22/48/1016512248.db2.gz ZMMVQTXXGPZNJG-NSHDSACASA-N 1 1 323.349 0.875 20 5 DCBDMO CS(=O)(=O)c1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)o1 ZINC001474054450 1017000716 /nfs/dbraw/zinc/00/07/16/1017000716.db2.gz FAUJVAJQLULKFJ-UHFFFAOYSA-N 1 1 314.323 0.578 20 5 DCBDMO O=[N+]([O-])c1cccc(OCC[NH+]2CCN(c3nc[nH]n3)CC2)c1 ZINC001559955659 1012433092 /nfs/dbraw/zinc/43/30/92/1012433092.db2.gz YQCVSGUALNDKRR-UHFFFAOYSA-N 1 1 318.337 0.914 20 5 DCBDMO C[C@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC001545547327 1012567165 /nfs/dbraw/zinc/56/71/65/1012567165.db2.gz JDRDWLMCHIJNNB-KWQFWETISA-N 1 1 309.326 0.021 20 5 DCBDMO C[C@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC001545547327 1012567181 /nfs/dbraw/zinc/56/71/81/1012567181.db2.gz JDRDWLMCHIJNNB-KWQFWETISA-N 1 1 309.326 0.021 20 5 DCBDMO CC[N@H+](CCC(=O)NC)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001460884237 1012984805 /nfs/dbraw/zinc/98/48/05/1012984805.db2.gz QPJDEJDQTKPGNX-UHFFFAOYSA-N 1 1 308.338 0.991 20 5 DCBDMO CC[N@@H+](CCC(=O)NC)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001460884237 1012984811 /nfs/dbraw/zinc/98/48/11/1012984811.db2.gz QPJDEJDQTKPGNX-UHFFFAOYSA-N 1 1 308.338 0.991 20 5 DCBDMO CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cnc(C)cn1 ZINC001479843462 1017873623 /nfs/dbraw/zinc/87/36/23/1017873623.db2.gz DWFHSMVJUUTGLM-ZIAGYGMSSA-N 1 1 321.381 0.778 20 5 DCBDMO CC[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cnc(C)cn1 ZINC001479843462 1017873645 /nfs/dbraw/zinc/87/36/45/1017873645.db2.gz DWFHSMVJUUTGLM-ZIAGYGMSSA-N 1 1 321.381 0.778 20 5 DCBDMO CC[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cnc(C)cn1 ZINC001479843462 1017873664 /nfs/dbraw/zinc/87/36/64/1017873664.db2.gz DWFHSMVJUUTGLM-ZIAGYGMSSA-N 1 1 321.381 0.778 20 5 DCBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[N@H+](C)CCO ZINC001622552661 1171427529 /nfs/dbraw/zinc/42/75/29/1171427529.db2.gz KPEVGXAABIRJKB-UHFFFAOYSA-N 1 1 317.367 0.106 20 5 DCBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[N@@H+](C)CCO ZINC001622552661 1171427534 /nfs/dbraw/zinc/42/75/34/1171427534.db2.gz KPEVGXAABIRJKB-UHFFFAOYSA-N 1 1 317.367 0.106 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000272680103 210086061 /nfs/dbraw/zinc/08/60/61/210086061.db2.gz KSWJOTMSTNYEED-SNVBAGLBSA-N 1 1 307.354 0.866 20 5 DCBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000287192513 219371299 /nfs/dbraw/zinc/37/12/99/219371299.db2.gz UCPQSYJUZZFSOW-SNVBAGLBSA-N 1 1 323.353 0.643 20 5 DCBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)n1 ZINC000331926456 234285585 /nfs/dbraw/zinc/28/55/85/234285585.db2.gz DFOVEIUESSCHIA-CMPLNLGQSA-N 1 1 323.353 0.356 20 5 DCBDMO [NH3+]C1(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000261765311 283406390 /nfs/dbraw/zinc/40/63/90/283406390.db2.gz OEJQWABBCHNYAO-UHFFFAOYSA-N 1 1 303.315 0.894 20 5 DCBDMO O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)N1 ZINC000282477007 217023978 /nfs/dbraw/zinc/02/39/78/217023978.db2.gz LFHQUHBRSNDPSN-CQSZACIVSA-N 1 1 322.296 0.908 20 5 DCBDMO O=C1NC(=O)[C@]2(CCC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)N1 ZINC000282477007 217023981 /nfs/dbraw/zinc/02/39/81/217023981.db2.gz LFHQUHBRSNDPSN-CQSZACIVSA-N 1 1 322.296 0.908 20 5 DCBDMO O=C(NC1CC1)N[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000274105051 211359764 /nfs/dbraw/zinc/35/97/64/211359764.db2.gz YQPUWQHIRBNZRJ-LLVKDONJSA-N 1 1 308.342 0.327 20 5 DCBDMO O=C(NC1CC1)N[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000274105051 211359767 /nfs/dbraw/zinc/35/97/67/211359767.db2.gz YQPUWQHIRBNZRJ-LLVKDONJSA-N 1 1 308.342 0.327 20 5 DCBDMO C[N@H+](CCC(N)=O)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000286522590 219035008 /nfs/dbraw/zinc/03/50/08/219035008.db2.gz QWADLQWYWWBHEY-UHFFFAOYSA-N 1 1 314.729 0.994 20 5 DCBDMO C[N@@H+](CCC(N)=O)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000286522590 219035009 /nfs/dbraw/zinc/03/50/09/219035009.db2.gz QWADLQWYWWBHEY-UHFFFAOYSA-N 1 1 314.729 0.994 20 5 DCBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000347388884 254153100 /nfs/dbraw/zinc/15/31/00/254153100.db2.gz JNUAUCIJWHWGEC-ZDUSSCGKSA-N 1 1 321.381 0.982 20 5 DCBDMO C[C@@H]1[C@@H](N2CCCC2)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000347305603 254146184 /nfs/dbraw/zinc/14/61/84/254146184.db2.gz LWUZNHBNAYTIJN-SNPRPXQTSA-N 1 1 323.397 0.711 20 5 DCBDMO C[C@@H]1[C@@H](N2CCCC2)CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000347305603 254146186 /nfs/dbraw/zinc/14/61/86/254146186.db2.gz LWUZNHBNAYTIJN-SNPRPXQTSA-N 1 1 323.397 0.711 20 5 DCBDMO C[C@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1O ZINC000351944890 254382974 /nfs/dbraw/zinc/38/29/74/254382974.db2.gz NNMJSBGHCZMBFO-HZMBPMFUSA-N 1 1 305.334 0.797 20 5 DCBDMO C[C@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1O ZINC000351944890 254382976 /nfs/dbraw/zinc/38/29/76/254382976.db2.gz NNMJSBGHCZMBFO-HZMBPMFUSA-N 1 1 305.334 0.797 20 5 DCBDMO CCNC(=O)NC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285342241 131158916 /nfs/dbraw/zinc/15/89/16/131158916.db2.gz OWONTMLWMGMCLG-UHFFFAOYSA-N 1 1 308.338 0.915 20 5 DCBDMO CCNC(=O)NC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285342241 131158917 /nfs/dbraw/zinc/15/89/17/131158917.db2.gz OWONTMLWMGMCLG-UHFFFAOYSA-N 1 1 308.338 0.915 20 5 DCBDMO COc1ccc(NC(=O)C[N@H+](C)C2(CO)CC2)c([N+](=O)[O-])c1 ZINC000285397861 131164723 /nfs/dbraw/zinc/16/47/23/131164723.db2.gz DWWFXGFGVUCYIL-UHFFFAOYSA-N 1 1 309.322 0.999 20 5 DCBDMO COc1ccc(NC(=O)C[N@@H+](C)C2(CO)CC2)c([N+](=O)[O-])c1 ZINC000285397861 131164724 /nfs/dbraw/zinc/16/47/24/131164724.db2.gz DWWFXGFGVUCYIL-UHFFFAOYSA-N 1 1 309.322 0.999 20 5 DCBDMO CN1CCO[C@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000121071186 132151652 /nfs/dbraw/zinc/15/16/52/132151652.db2.gz VMBQLESFTHAQTG-ZFWWWQNUSA-N 1 1 307.350 0.988 20 5 DCBDMO CN1CCO[C@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000121071186 132151653 /nfs/dbraw/zinc/15/16/53/132151653.db2.gz VMBQLESFTHAQTG-ZFWWWQNUSA-N 1 1 307.350 0.988 20 5 DCBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)CN1CCOCC1)CC2 ZINC000088616566 395707908 /nfs/dbraw/zinc/70/79/08/395707908.db2.gz WIJFGNHSOAEOLI-INIZCTEOSA-N 1 1 321.377 0.646 20 5 DCBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)CN1CCOCC1)CC2 ZINC000088616566 395707910 /nfs/dbraw/zinc/70/79/10/395707910.db2.gz WIJFGNHSOAEOLI-INIZCTEOSA-N 1 1 321.377 0.646 20 5 DCBDMO C[N@H+]1CC[C@H]2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000272537025 395898271 /nfs/dbraw/zinc/89/82/71/395898271.db2.gz BPTIEYOUOFZOMT-AAEUAGOBSA-N 1 1 307.354 0.734 20 5 DCBDMO Nc1ccc(C(=O)NCC[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC000226226273 395864979 /nfs/dbraw/zinc/86/49/79/395864979.db2.gz GUPYGVIIJPUJBD-UHFFFAOYSA-N 1 1 310.379 0.956 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000064536542 395987953 /nfs/dbraw/zinc/98/79/53/395987953.db2.gz BRGHNQJMSIOKRD-LBPRGKRZSA-N 1 1 307.354 0.796 20 5 DCBDMO C[NH2+][C@H](C(=O)NCc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000262284950 396117945 /nfs/dbraw/zinc/11/79/45/396117945.db2.gz XTFNTYYZUWVZLZ-ZDUSSCGKSA-N 1 1 303.322 0.905 20 5 DCBDMO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)N1CCOCC1 ZINC000071951139 396125557 /nfs/dbraw/zinc/12/55/57/396125557.db2.gz IXMHCYMQMNKPSM-UHFFFAOYSA-N 1 1 323.349 0.764 20 5 DCBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)N1CCOCC1 ZINC000071951139 396125561 /nfs/dbraw/zinc/12/55/61/396125561.db2.gz IXMHCYMQMNKPSM-UHFFFAOYSA-N 1 1 323.349 0.764 20 5 DCBDMO CC[C@H](O)C[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000176527546 396156386 /nfs/dbraw/zinc/15/63/86/396156386.db2.gz HYYCTTIUGREXFV-NSHDSACASA-N 1 1 322.365 0.706 20 5 DCBDMO COC(=O)[C@@]1(C)CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000177465423 396176820 /nfs/dbraw/zinc/17/68/20/396176820.db2.gz BSLZUQSPYUSFLY-AAEUAGOBSA-N 1 1 312.326 0.037 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000077817297 396234661 /nfs/dbraw/zinc/23/46/61/396234661.db2.gz XEFOUJLLMSWDBC-LLVKDONJSA-N 1 1 320.349 0.910 20 5 DCBDMO C[N@H+](Cc1cccc(O)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000080918552 396289262 /nfs/dbraw/zinc/28/92/62/396289262.db2.gz ODPBMMBAJIBZLQ-AWEZNQCLSA-N 1 1 306.322 0.990 20 5 DCBDMO Cc1n[nH]c(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000265730499 396340118 /nfs/dbraw/zinc/34/01/18/396340118.db2.gz QOCLNOKKDBLVLK-SECBINFHSA-N 1 1 311.342 0.324 20 5 DCBDMO CN(C(=O)Cn1ccc([N+](=O)[O-])n1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286298154 396386340 /nfs/dbraw/zinc/38/63/40/396386340.db2.gz SHOIPLBDHGWQOL-FOSCPWQOSA-N 1 1 307.354 0.875 20 5 DCBDMO CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286133858 396376237 /nfs/dbraw/zinc/37/62/37/396376237.db2.gz HMIMDBWRJBYWNT-FOSCPWQOSA-N 1 1 307.354 0.875 20 5 DCBDMO CCn1cc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)nn1 ZINC000594716185 396500213 /nfs/dbraw/zinc/50/02/13/396500213.db2.gz LISBGQKACUCLFB-CYBMUJFWSA-N 1 1 321.337 0.736 20 5 DCBDMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000290987741 396476828 /nfs/dbraw/zinc/47/68/28/396476828.db2.gz SFETYDLCHJVDJG-DGCLKSJQSA-N 1 1 323.353 0.113 20 5 DCBDMO O=[N+]([O-])c1cnn(CC[N@@H+](CCN2CCOCC2)CC2CC2)c1 ZINC000595808678 396665870 /nfs/dbraw/zinc/66/58/70/396665870.db2.gz PEKVEVUQXMZDGQ-UHFFFAOYSA-N 1 1 323.397 0.836 20 5 DCBDMO Nc1c(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000588862461 396696032 /nfs/dbraw/zinc/69/60/32/396696032.db2.gz BRFBKASRIDNOAI-WDEREUQCSA-N 1 1 320.349 0.458 20 5 DCBDMO CC(C)CO[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000305044630 396733993 /nfs/dbraw/zinc/73/39/93/396733993.db2.gz KVSBWWRZHJFHEV-UONOGXRCSA-N 1 1 312.370 0.899 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000316757126 396797804 /nfs/dbraw/zinc/79/78/04/396797804.db2.gz JUMMEQRJXASWCQ-OUCADQQQSA-N 1 1 309.370 0.369 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000316757126 396797810 /nfs/dbraw/zinc/79/78/10/396797810.db2.gz JUMMEQRJXASWCQ-OUCADQQQSA-N 1 1 309.370 0.369 20 5 DCBDMO Cc1ccc(C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)nc1 ZINC000590754391 396833037 /nfs/dbraw/zinc/83/30/37/396833037.db2.gz DSUPACFDPBYVRR-AWEZNQCLSA-N 1 1 305.338 0.988 20 5 DCBDMO CCc1nn(C)c(N2CC[NH+](C(C)(C)CO)CC2)c1[N+](=O)[O-] ZINC000611281247 396849960 /nfs/dbraw/zinc/84/99/60/396849960.db2.gz CVMBHCGSLVWZBA-UHFFFAOYSA-N 1 1 311.386 0.784 20 5 DCBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000600806657 396945889 /nfs/dbraw/zinc/94/58/89/396945889.db2.gz DHYKZEWPJVLIBN-JTQLQIEISA-N 1 1 319.321 0.268 20 5 DCBDMO O=C(COc1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000600806808 396946104 /nfs/dbraw/zinc/94/61/04/396946104.db2.gz GVJXJYLUNCYXGG-LBPRGKRZSA-N 1 1 309.322 0.156 20 5 DCBDMO O=C1C[C@@]2(CN1)CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000341678073 396980011 /nfs/dbraw/zinc/98/00/11/396980011.db2.gz WNCKXFCLBMVMLJ-OAHLLOKOSA-N 1 1 320.349 0.359 20 5 DCBDMO CC[N@@H+](C)C[C@@H](O)CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000572374924 397053017 /nfs/dbraw/zinc/05/30/17/397053017.db2.gz FAWADCREIOUCJN-CYBMUJFWSA-N 1 1 323.397 0.424 20 5 DCBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[N@H+](C)C1 ZINC000619478149 397136453 /nfs/dbraw/zinc/13/64/53/397136453.db2.gz KLUWEDXJNASCLL-VIFPVBQESA-N 1 1 315.351 0.586 20 5 DCBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[N@@H+](C)C1 ZINC000619478149 397136460 /nfs/dbraw/zinc/13/64/60/397136460.db2.gz KLUWEDXJNASCLL-VIFPVBQESA-N 1 1 315.351 0.586 20 5 DCBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000619578240 397153212 /nfs/dbraw/zinc/15/32/12/397153212.db2.gz DPPGMXPYBLSRSS-LBPRGKRZSA-N 1 1 322.365 0.699 20 5 DCBDMO C[C@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1N1CCOCC1 ZINC000378051479 397185767 /nfs/dbraw/zinc/18/57/67/397185767.db2.gz BNDNZSDOGYKCII-NWDGAFQWSA-N 1 1 309.370 0.481 20 5 DCBDMO C[C@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1N1CCOCC1 ZINC000378051479 397185771 /nfs/dbraw/zinc/18/57/71/397185771.db2.gz BNDNZSDOGYKCII-NWDGAFQWSA-N 1 1 309.370 0.481 20 5 DCBDMO CC(C)Oc1nc(N2CC[N@H+](C)C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000601980451 397280068 /nfs/dbraw/zinc/28/00/68/397280068.db2.gz XQQKTGUINCMAQR-LLVKDONJSA-N 1 1 310.354 0.890 20 5 DCBDMO CC(C)Oc1nc(N2CC[N@@H+](C)C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000601980451 397280070 /nfs/dbraw/zinc/28/00/70/397280070.db2.gz XQQKTGUINCMAQR-LLVKDONJSA-N 1 1 310.354 0.890 20 5 DCBDMO C[N@@H+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](CO)C1 ZINC000602714621 397469073 /nfs/dbraw/zinc/46/90/73/397469073.db2.gz HUNUJAPPYYZCQY-AWEZNQCLSA-N 1 1 323.349 0.570 20 5 DCBDMO C[N@H+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](CO)C1 ZINC000602714621 397469075 /nfs/dbraw/zinc/46/90/75/397469075.db2.gz HUNUJAPPYYZCQY-AWEZNQCLSA-N 1 1 323.349 0.570 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOC2(CCOCC2)C1 ZINC000602782673 397483388 /nfs/dbraw/zinc/48/33/88/397483388.db2.gz JGIRDFIGGFNYDN-UHFFFAOYSA-N 1 1 310.354 0.981 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOC2(CCOCC2)C1 ZINC000602782673 397483391 /nfs/dbraw/zinc/48/33/91/397483391.db2.gz JGIRDFIGGFNYDN-UHFFFAOYSA-N 1 1 310.354 0.981 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000602819911 397494879 /nfs/dbraw/zinc/49/48/79/397494879.db2.gz FLVIKSIQSFHTTF-FZMZJTMJSA-N 1 1 310.354 0.980 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000602819911 397494886 /nfs/dbraw/zinc/49/48/86/397494886.db2.gz FLVIKSIQSFHTTF-FZMZJTMJSA-N 1 1 310.354 0.980 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000602838075 397498638 /nfs/dbraw/zinc/49/86/38/397498638.db2.gz FTTSJVCPERSQTJ-LLVKDONJSA-N 1 1 316.383 0.466 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000602838075 397498641 /nfs/dbraw/zinc/49/86/41/397498641.db2.gz FTTSJVCPERSQTJ-LLVKDONJSA-N 1 1 316.383 0.466 20 5 DCBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000371237555 397562301 /nfs/dbraw/zinc/56/23/01/397562301.db2.gz CROIKIDXLZLFAN-OAHLLOKOSA-N 1 1 318.377 0.943 20 5 DCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000599778498 397525080 /nfs/dbraw/zinc/52/50/80/397525080.db2.gz FXQFXRICYBORJM-NSHDSACASA-N 1 1 324.337 0.792 20 5 DCBDMO CCc1n[nH]c(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599936773 397544146 /nfs/dbraw/zinc/54/41/46/397544146.db2.gz BWJIKYCASUUSRR-NXEZZACHSA-N 1 1 323.353 0.161 20 5 DCBDMO CCc1n[nH]c(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599936773 397544150 /nfs/dbraw/zinc/54/41/50/397544150.db2.gz BWJIKYCASUUSRR-NXEZZACHSA-N 1 1 323.353 0.161 20 5 DCBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])C1 ZINC000609269902 397768452 /nfs/dbraw/zinc/76/84/52/397768452.db2.gz ZJOLDIZGXFOKPD-JTQLQIEISA-N 1 1 311.342 0.467 20 5 DCBDMO CCOC[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000609600295 397784650 /nfs/dbraw/zinc/78/46/50/397784650.db2.gz XMSHLZNYSBVRQU-ZDUSSCGKSA-N 1 1 310.354 0.509 20 5 DCBDMO CC[N@@H+]1CCO[C@H](C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000073032625 158053913 /nfs/dbraw/zinc/05/39/13/158053913.db2.gz KEGFEYDLNTUDMO-AWEZNQCLSA-N 1 1 307.350 0.974 20 5 DCBDMO CC[N@H+]1CCO[C@H](C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000073032625 158053917 /nfs/dbraw/zinc/05/39/17/158053917.db2.gz KEGFEYDLNTUDMO-AWEZNQCLSA-N 1 1 307.350 0.974 20 5 DCBDMO CCC(=O)N1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090518948 158102965 /nfs/dbraw/zinc/10/29/65/158102965.db2.gz WMUUDYNXKHHXEF-UHFFFAOYSA-N 1 1 322.365 0.701 20 5 DCBDMO CCC(=O)N1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090518948 158102967 /nfs/dbraw/zinc/10/29/67/158102967.db2.gz WMUUDYNXKHHXEF-UHFFFAOYSA-N 1 1 322.365 0.701 20 5 DCBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000356876031 159254461 /nfs/dbraw/zinc/25/44/61/159254461.db2.gz LOJMMQLLGSOTLQ-WDEREUQCSA-N 1 1 308.338 0.308 20 5 DCBDMO CN(C(=O)C[N@H+]1CC[C@@H](CC(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000367372995 159334131 /nfs/dbraw/zinc/33/41/31/159334131.db2.gz VYQCAWPXYVRSTM-NSHDSACASA-N 1 1 320.349 0.755 20 5 DCBDMO CNC(=O)N[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000342361512 415151212 /nfs/dbraw/zinc/15/12/12/415151212.db2.gz LOSCTSWSDGYSBJ-NSHDSACASA-N 1 1 308.338 0.977 20 5 DCBDMO CNC(=O)N[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000342361512 415151219 /nfs/dbraw/zinc/15/12/19/415151219.db2.gz LOSCTSWSDGYSBJ-NSHDSACASA-N 1 1 308.338 0.977 20 5 DCBDMO Cc1nn(C)c(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000268189739 415172980 /nfs/dbraw/zinc/17/29/80/415172980.db2.gz MVNJQPPWAJUJEL-LDYMZIIASA-N 1 1 307.354 0.849 20 5 DCBDMO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1CCO ZINC000332239005 415308551 /nfs/dbraw/zinc/30/85/51/415308551.db2.gz OTJYPKIYHBFZRY-LLVKDONJSA-N 1 1 319.365 0.970 20 5 DCBDMO O=C(NCc1nnc[nH]1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000342861772 415321148 /nfs/dbraw/zinc/32/11/48/415321148.db2.gz ZJHOJEMBICVAGB-UHFFFAOYSA-N 1 1 313.277 0.829 20 5 DCBDMO CC(C)[N@@H+](C)CCCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000343232911 415510061 /nfs/dbraw/zinc/51/00/61/415510061.db2.gz PCIBHCSLWACYIB-UHFFFAOYSA-N 1 1 310.354 0.603 20 5 DCBDMO Cc1nnc([C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000353654436 415617540 /nfs/dbraw/zinc/61/75/40/415617540.db2.gz GVAGFKQSQALJCF-OIBJUYFYSA-N 1 1 312.355 0.663 20 5 DCBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000343723194 415698480 /nfs/dbraw/zinc/69/84/80/415698480.db2.gz NCBHFGVOWDNSAM-ZYHUDNBSSA-N 1 1 309.322 0.155 20 5 DCBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000343723190 415699057 /nfs/dbraw/zinc/69/90/57/415699057.db2.gz NCBHFGVOWDNSAM-JQWIXIFHSA-N 1 1 309.322 0.155 20 5 DCBDMO CC(C)[NH+]1CCC(O)(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000343844037 415750793 /nfs/dbraw/zinc/75/07/93/415750793.db2.gz DEZXGUSGWAVMKO-UHFFFAOYSA-N 1 1 311.342 0.283 20 5 DCBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)C2)C1 ZINC000356264850 415892587 /nfs/dbraw/zinc/89/25/87/415892587.db2.gz XBRWYEVYNSTMNN-ZDUSSCGKSA-N 1 1 308.342 0.131 20 5 DCBDMO CCNC(=O)[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000293243441 415855377 /nfs/dbraw/zinc/85/53/77/415855377.db2.gz LMOOYZCVNJNWEZ-ZDUSSCGKSA-N 1 1 322.365 0.944 20 5 DCBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000133583292 415948718 /nfs/dbraw/zinc/94/87/18/415948718.db2.gz NSBOPDNNNCZWAF-GFCCVEGCSA-N 1 1 324.385 0.822 20 5 DCBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000356739784 415979787 /nfs/dbraw/zinc/97/97/87/415979787.db2.gz KEQSTNRFXCRPIY-LLVKDONJSA-N 1 1 310.354 0.601 20 5 DCBDMO NC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CC[NH2+]1 ZINC000298166462 415994492 /nfs/dbraw/zinc/99/44/92/415994492.db2.gz WHZYEIYCLODGEB-JTQLQIEISA-N 1 1 301.306 0.407 20 5 DCBDMO CN(CCC[NH+]1CCCC1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000337269821 415936293 /nfs/dbraw/zinc/93/62/93/415936293.db2.gz MGTJOOUBMOQNAT-CQSZACIVSA-N 1 1 311.386 0.570 20 5 DCBDMO Cc1nn(C)c(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000299147556 416055525 /nfs/dbraw/zinc/05/55/25/416055525.db2.gz JXKAQWNDYFPYMR-QWRGUYRKSA-N 1 1 307.354 0.993 20 5 DCBDMO CNC(=O)C[NH+]1CCC(Nc2nccc(C)c2[N+](=O)[O-])CC1 ZINC000301264927 416080098 /nfs/dbraw/zinc/08/00/98/416080098.db2.gz GIGHAGBXDCYDCU-UHFFFAOYSA-N 1 1 307.354 0.921 20 5 DCBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000301137885 416076978 /nfs/dbraw/zinc/07/69/78/416076978.db2.gz DNEZFQJYABCCBU-CYBMUJFWSA-N 1 1 319.365 0.733 20 5 DCBDMO C[NH+](C)CCn1cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])ccc1=O ZINC000345025344 416029961 /nfs/dbraw/zinc/02/99/61/416029961.db2.gz VWQOKMOGOVALJI-UHFFFAOYSA-N 1 1 320.309 0.294 20 5 DCBDMO CC(C)[N@@H+](C)CCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000301510150 416084809 /nfs/dbraw/zinc/08/48/09/416084809.db2.gz ALBDKOJKKZZRMD-UHFFFAOYSA-N 1 1 316.383 0.994 20 5 DCBDMO C[C@@H](O)C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)CO ZINC000190858450 416282977 /nfs/dbraw/zinc/28/29/77/416282977.db2.gz PVTCGMUWCLUIOM-WDEREUQCSA-N 1 1 311.338 0.597 20 5 DCBDMO C[C@@H](O)C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)CO ZINC000190858450 416282980 /nfs/dbraw/zinc/28/29/80/416282980.db2.gz PVTCGMUWCLUIOM-WDEREUQCSA-N 1 1 311.338 0.597 20 5 DCBDMO Cn1cc[nH+]c1N1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000532992509 416467120 /nfs/dbraw/zinc/46/71/20/416467120.db2.gz STBTYDGZZHDTKR-UHFFFAOYSA-N 1 1 318.337 0.629 20 5 DCBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H](O)C[NH+](C)C ZINC000361215242 416426214 /nfs/dbraw/zinc/42/62/14/416426214.db2.gz IEKWMJBNDPAGDB-BXUZGUMPSA-N 1 1 324.381 0.824 20 5 DCBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000434058937 416457450 /nfs/dbraw/zinc/45/74/50/416457450.db2.gz WSVQCQOGZKVUNF-MNOVXSKESA-N 1 1 308.342 0.272 20 5 DCBDMO CNc1nccc(C(=O)N2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000553266195 416703939 /nfs/dbraw/zinc/70/39/39/416703939.db2.gz TVFWXQCLAVDLEU-UHFFFAOYSA-N 1 1 307.354 1.198 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000370044914 416874206 /nfs/dbraw/zinc/87/42/06/416874206.db2.gz IEOPRAUIZZUFLJ-GFCCVEGCSA-N 1 1 309.370 0.625 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000370044914 416874212 /nfs/dbraw/zinc/87/42/12/416874212.db2.gz IEOPRAUIZZUFLJ-GFCCVEGCSA-N 1 1 309.370 0.625 20 5 DCBDMO O=C1NC(=O)[C@@H]2C[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000449522518 417147980 /nfs/dbraw/zinc/14/79/80/417147980.db2.gz LFIXRFFVXWOBIU-OIWRZFCRSA-N 1 1 301.302 0.812 20 5 DCBDMO COC(=O)Cc1ccc(NC[C@@]2(O)CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000450439926 417228654 /nfs/dbraw/zinc/22/86/54/417228654.db2.gz PCDSSSYRUHOXMZ-HNNXBMFYSA-N 1 1 323.349 0.789 20 5 DCBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@H]3COCCO3)C2)nc1 ZINC000450556794 417241066 /nfs/dbraw/zinc/24/10/66/417241066.db2.gz BDLOSZHEANVXKH-AAEUAGOBSA-N 1 1 308.338 0.891 20 5 DCBDMO CN(C)C(=O)N[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000451997262 417429008 /nfs/dbraw/zinc/42/90/08/417429008.db2.gz RADNBBZECBBJPZ-NSHDSACASA-N 1 1 310.358 0.527 20 5 DCBDMO CN(C)C(=O)N[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000451997262 417429012 /nfs/dbraw/zinc/42/90/12/417429012.db2.gz RADNBBZECBBJPZ-NSHDSACASA-N 1 1 310.358 0.527 20 5 DCBDMO O=C(CC[NH+]1CCN(CCO)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000298127474 228370380 /nfs/dbraw/zinc/37/03/80/228370380.db2.gz WIKDQOBZQSUWAU-UHFFFAOYSA-N 1 1 322.365 0.533 20 5 DCBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000299550716 229201619 /nfs/dbraw/zinc/20/16/19/229201619.db2.gz VYMVZIDGVUFBPF-GFCCVEGCSA-N 1 1 322.365 0.605 20 5 DCBDMO O=C1CNCCN1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000362686165 262061343 /nfs/dbraw/zinc/06/13/43/262061343.db2.gz UMWHDUDYCSQVLQ-HNNXBMFYSA-N 1 1 318.377 0.991 20 5 DCBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNc1ncc([N+](=O)[O-])cc1F ZINC000413139572 262202729 /nfs/dbraw/zinc/20/27/29/262202729.db2.gz QUVXAGWQLYLKDD-NSHDSACASA-N 1 1 311.317 0.881 20 5 DCBDMO C[C@@H](CO)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000282695212 274226799 /nfs/dbraw/zinc/22/67/99/274226799.db2.gz FIWSGCMDFQVNLK-QMMMGPOBSA-N 1 1 311.294 0.575 20 5 DCBDMO C[C@@H](CO)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000282695212 274226801 /nfs/dbraw/zinc/22/68/01/274226801.db2.gz FIWSGCMDFQVNLK-QMMMGPOBSA-N 1 1 311.294 0.575 20 5 DCBDMO C[N@H+]1CCCC12CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)CC2 ZINC000378510796 277041389 /nfs/dbraw/zinc/04/13/89/277041389.db2.gz IGHDJZOMLUMBHP-UHFFFAOYSA-N 1 1 307.354 0.878 20 5 DCBDMO CC[N@@H+](CCO)CCNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000546719805 288028186 /nfs/dbraw/zinc/02/81/86/288028186.db2.gz GOFVHYZMYPCELO-UHFFFAOYSA-N 1 1 310.354 0.681 20 5 DCBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000556494860 288378251 /nfs/dbraw/zinc/37/82/51/288378251.db2.gz FSEAOLOIEQNXKI-UHFFFAOYSA-N 1 1 304.310 0.791 20 5 DCBDMO Cc1c([C@@H](C)NCC(=O)N2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000576575617 341852906 /nfs/dbraw/zinc/85/29/06/341852906.db2.gz GYTRPYMBRVODPO-GFCCVEGCSA-N 1 1 306.366 0.986 20 5 DCBDMO C[C@@H](C[NH+]1CCN(C)CC1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301990209 533841691 /nfs/dbraw/zinc/84/16/91/533841691.db2.gz MBUGWQJGTMAAEM-NSHDSACASA-N 1 1 319.369 0.685 20 5 DCBDMO CC(C)OC(=O)[C@@H](C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000129977155 519750534 /nfs/dbraw/zinc/75/05/34/519750534.db2.gz MCFPOJVEKZKSLS-PWSUYJOCSA-N 1 1 314.342 0.424 20 5 DCBDMO CC(C)OC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000129977155 519750535 /nfs/dbraw/zinc/75/05/35/519750535.db2.gz MCFPOJVEKZKSLS-PWSUYJOCSA-N 1 1 314.342 0.424 20 5 DCBDMO COCCC[N@H+](CCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000189888754 523246369 /nfs/dbraw/zinc/24/63/69/523246369.db2.gz YYWSHWDPIXJGML-UHFFFAOYSA-N 1 1 311.338 0.864 20 5 DCBDMO COCCC[N@@H+](CCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000189888754 523246379 /nfs/dbraw/zinc/24/63/79/523246379.db2.gz YYWSHWDPIXJGML-UHFFFAOYSA-N 1 1 311.338 0.864 20 5 DCBDMO C[C@H](O)C[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000189755524 525765454 /nfs/dbraw/zinc/76/54/54/525765454.db2.gz IJOUNGFFCQCEPQ-JTQLQIEISA-N 1 1 308.338 0.316 20 5 DCBDMO C[C@@H](O)C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](C)CO ZINC000190890448 525787241 /nfs/dbraw/zinc/78/72/41/525787241.db2.gz MYWQEMXQBCABKV-VHSXEESVSA-N 1 1 311.338 0.257 20 5 DCBDMO CC(C)(C)[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000331329776 526677869 /nfs/dbraw/zinc/67/78/69/526677869.db2.gz QPQSHVFNZDHVML-OLZOCXBDSA-N 1 1 312.370 0.899 20 5 DCBDMO Cc1noc(CN2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC000934271279 658264162 /nfs/dbraw/zinc/26/41/62/658264162.db2.gz GFEPIFBPIWPTSO-NWDGAFQWSA-N 1 1 310.354 0.922 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cncs3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025777616 659554529 /nfs/dbraw/zinc/55/45/29/659554529.db2.gz NTDWLIRFKIZPCH-ZIQFBCGOSA-N 1 1 308.363 0.355 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cncs3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025777616 659554530 /nfs/dbraw/zinc/55/45/30/659554530.db2.gz NTDWLIRFKIZPCH-ZIQFBCGOSA-N 1 1 308.363 0.355 20 5 DCBDMO CCc1onc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020140090 659671700 /nfs/dbraw/zinc/67/17/00/659671700.db2.gz YCYKAQONDJDMJZ-PRULPYPASA-N 1 1 322.365 0.947 20 5 DCBDMO COc1c(O)ccc(CN2CC([N@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000895166112 662130431 /nfs/dbraw/zinc/13/04/31/662130431.db2.gz QLKFCJIYLBCQQZ-GFCCVEGCSA-N 1 1 323.349 0.560 20 5 DCBDMO C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCN1C ZINC000896563218 662291276 /nfs/dbraw/zinc/29/12/76/662291276.db2.gz KMKMADZPOVVSMR-SWLSCSKDSA-N 1 1 320.393 0.888 20 5 DCBDMO C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896563218 662291282 /nfs/dbraw/zinc/29/12/82/662291282.db2.gz KMKMADZPOVVSMR-SWLSCSKDSA-N 1 1 320.393 0.888 20 5 DCBDMO C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1CN(C)CC[N@H+]1C ZINC000896563218 662291287 /nfs/dbraw/zinc/29/12/87/662291287.db2.gz KMKMADZPOVVSMR-SWLSCSKDSA-N 1 1 320.393 0.888 20 5 DCBDMO Cc1nnc(CN(C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC000985431458 662443646 /nfs/dbraw/zinc/44/36/46/662443646.db2.gz PCJAKFJYPIZDAO-VXGBXAGGSA-N 1 1 323.353 0.466 20 5 DCBDMO O=C(NCC1=CC[N@@H+](CCn2cccn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000674050 665914677 /nfs/dbraw/zinc/91/46/77/665914677.db2.gz LKKBAWNESWYMBK-ZIAGYGMSSA-N 1 1 319.365 0.297 20 5 DCBDMO O=C(NCC1=CC[N@H+](CCn2cccn2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000674050 665914679 /nfs/dbraw/zinc/91/46/79/665914679.db2.gz LKKBAWNESWYMBK-ZIAGYGMSSA-N 1 1 319.365 0.297 20 5 DCBDMO O=C(NCC1=CC[N@@H+](CCn2cccn2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000674050 665914682 /nfs/dbraw/zinc/91/46/82/665914682.db2.gz LKKBAWNESWYMBK-ZIAGYGMSSA-N 1 1 319.365 0.297 20 5 DCBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 ZINC000730841591 664820100 /nfs/dbraw/zinc/82/01/00/664820100.db2.gz LHFQSMVSNSVCMF-LLVKDONJSA-N 1 1 322.365 0.936 20 5 DCBDMO CN(CC(=O)N1CC[NH+](C)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000916568755 665073277 /nfs/dbraw/zinc/07/32/77/665073277.db2.gz SPOWVWOKNVWXER-UHFFFAOYSA-N 1 1 310.329 0.944 20 5 DCBDMO Cc1conc1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996440852 666786264 /nfs/dbraw/zinc/78/62/64/666786264.db2.gz NIAQOENJFQMJDS-DGCLKSJQSA-N 1 1 308.338 0.729 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2cncs2)CC1 ZINC000996429637 666791152 /nfs/dbraw/zinc/79/11/52/666791152.db2.gz QMWVQFMSDLFNBC-VXGBXAGGSA-N 1 1 310.379 0.889 20 5 DCBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000863830436 667187688 /nfs/dbraw/zinc/18/76/88/667187688.db2.gz SWFYOYDJMBNQKB-LBPRGKRZSA-N 1 1 324.293 0.299 20 5 DCBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000863833706 667188532 /nfs/dbraw/zinc/18/85/32/667188532.db2.gz UPKFAKMSBVVQSE-QMMMGPOBSA-N 1 1 312.301 0.113 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000923357516 667513009 /nfs/dbraw/zinc/51/30/09/667513009.db2.gz XQJQYAYTAQQJSI-KBPBESRZSA-N 1 1 309.370 0.228 20 5 DCBDMO O=C(OCCC[NH+]1CCOCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000838283414 667683462 /nfs/dbraw/zinc/68/34/62/667683462.db2.gz HGQKMDVOLXPSNJ-AWEZNQCLSA-N 1 1 324.333 0.894 20 5 DCBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](CC(N)=O)CC2)c1 ZINC000742040294 667779086 /nfs/dbraw/zinc/77/90/86/667779086.db2.gz GZPIMAUBWXJJSV-UHFFFAOYSA-N 1 1 320.349 0.583 20 5 DCBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000886590659 667780667 /nfs/dbraw/zinc/78/06/67/667780667.db2.gz AXNBIHKLFYRNOJ-LBPRGKRZSA-N 1 1 309.370 0.980 20 5 DCBDMO O=[N+]([O-])c1ccnn1CN1CC[NH+](CCc2cnccn2)CC1 ZINC000872700806 667931297 /nfs/dbraw/zinc/93/12/97/667931297.db2.gz SLTSLQPDYLHBOC-UHFFFAOYSA-N 1 1 317.353 0.399 20 5 DCBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000874842405 668226373 /nfs/dbraw/zinc/22/63/73/668226373.db2.gz GUODPQODDJGOLR-QWHCGFSZSA-N 1 1 307.354 0.877 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000933437296 669491993 /nfs/dbraw/zinc/49/19/93/669491993.db2.gz ZYTUUWKSFJZDPA-JQWIXIFHSA-N 1 1 309.370 0.898 20 5 DCBDMO Nc1cc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc(CO)c1[N+](=O)[O-] ZINC000804397296 670293300 /nfs/dbraw/zinc/29/33/00/670293300.db2.gz WTMZNFWPVVNSIN-OLZOCXBDSA-N 1 1 322.365 0.944 20 5 DCBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1C[NH+](CC2CCOCC2)C1 ZINC000950055884 670489252 /nfs/dbraw/zinc/48/92/52/670489252.db2.gz PJFGXDNYHJYCDI-ZIAGYGMSSA-N 1 1 311.382 0.611 20 5 DCBDMO Nc1ccc(C(=O)N2CC(C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000816712647 670847669 /nfs/dbraw/zinc/84/76/69/670847669.db2.gz IWDDMNJNTRRTQI-UHFFFAOYSA-N 1 1 320.349 0.581 20 5 DCBDMO Cn1ncc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000819308779 671110422 /nfs/dbraw/zinc/11/04/22/671110422.db2.gz FFRFHSANXBHTTC-LBPRGKRZSA-N 1 1 307.310 0.253 20 5 DCBDMO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840400067 671145777 /nfs/dbraw/zinc/14/57/77/671145777.db2.gz VAJLNQNCXDSHOM-ZIAGYGMSSA-N 1 1 307.350 0.948 20 5 DCBDMO Cc1nn(CN2CC[NH+]([C@H]3CCOC3)CC2)c(C)c1[N+](=O)[O-] ZINC000853551078 671242989 /nfs/dbraw/zinc/24/29/89/671242989.db2.gz RVKZCLQFDSCNGF-ZDUSSCGKSA-N 1 1 309.370 0.772 20 5 DCBDMO C[N@H+]1CC[C@@](O)(CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823961647 671414327 /nfs/dbraw/zinc/41/43/27/671414327.db2.gz HPPSXQPNESBHAC-CYBMUJFWSA-N 1 1 309.326 0.365 20 5 DCBDMO Cc1ccc(CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000825648489 671468777 /nfs/dbraw/zinc/46/87/77/671468777.db2.gz SRHUJLWVSPSLPK-HNNXBMFYSA-N 1 1 318.377 0.909 20 5 DCBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000846511335 672322289 /nfs/dbraw/zinc/32/22/89/672322289.db2.gz NIKYGCRSTRKZGX-SECBINFHSA-N 1 1 324.312 0.207 20 5 DCBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000846511335 672322290 /nfs/dbraw/zinc/32/22/90/672322290.db2.gz NIKYGCRSTRKZGX-SECBINFHSA-N 1 1 324.312 0.207 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[NH2+]C[C@@H]2C(F)F)n1 ZINC001579642433 1165370385 /nfs/dbraw/zinc/37/03/85/1165370385.db2.gz FPVIQFOUHINIOE-SNVBAGLBSA-N 1 1 300.265 0.977 20 5 DCBDMO CC(C)[N@@H+](CCO)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001589692665 1166675189 /nfs/dbraw/zinc/67/51/89/1166675189.db2.gz XZYIMNKHQQKQKN-UHFFFAOYSA-N 1 1 306.326 0.978 20 5 DCBDMO CC[C@@H]1C[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C[C@H]1O ZINC001609202607 1170865647 /nfs/dbraw/zinc/86/56/47/1170865647.db2.gz MFAFNZKLFAVILF-NOZJJQNGSA-N 1 1 318.337 0.978 20 5 DCBDMO CO[C@@H]1COCC[C@H]1[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001620540557 1171403332 /nfs/dbraw/zinc/40/33/32/1171403332.db2.gz RPKNINUNWACOJV-TZMCWYRMSA-N 1 1 323.349 0.929 20 5 DCBDMO O=[N+]([O-])c1cccnc1S(=O)(=O)NCCNc1ccccn1 ZINC001621902908 1171416606 /nfs/dbraw/zinc/41/66/06/1171416606.db2.gz HEIZSIHQNGJKRV-UHFFFAOYSA-N 1 1 323.334 0.775 20 5 DCBDMO C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC001631783158 1171600431 /nfs/dbraw/zinc/60/04/31/1171600431.db2.gz AYTBWTSWHGSDIP-REWJHTLYSA-N 1 1 310.398 0.136 20 5 DCBDMO Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001640965553 1171900794 /nfs/dbraw/zinc/90/07/94/1171900794.db2.gz PBMGFEGZSGBGST-LLVKDONJSA-N 1 1 322.365 0.754 20 5 DCBDMO CC(C)(O)[C@H](O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001644832961 1172021593 /nfs/dbraw/zinc/02/15/93/1172021593.db2.gz PHGWTAUEETVTQI-CMPLNLGQSA-N 1 1 310.354 0.608 20 5 DCBDMO Cc1[nH+]c2c(n1CCO)CC[C@H](Nc1nn(C)cc1[N+](=O)[O-])C2 ZINC001652001704 1173760176 /nfs/dbraw/zinc/76/01/76/1173760176.db2.gz HEJJZPCYNDPOLZ-JTQLQIEISA-N 1 1 320.353 0.795 20 5 DCBDMO NS(=O)(=O)c1cccc(N[C@H]2Cc3c[nH+]cn3C2)c1[N+](=O)[O-] ZINC001655723979 1173826376 /nfs/dbraw/zinc/82/63/76/1173826376.db2.gz FVYCFOGJOTXOEM-QMMMGPOBSA-N 1 1 323.334 0.476 20 5 DCBDMO COc1cc(C[N@@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccn1 ZINC001660140263 1173950332 /nfs/dbraw/zinc/95/03/32/1173950332.db2.gz WSAYGXNXXKJYOF-CHWSQXEVSA-N 1 1 322.365 0.694 20 5 DCBDMO COc1cc(C[N@H+](C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])ccn1 ZINC001660140263 1173950339 /nfs/dbraw/zinc/95/03/39/1173950339.db2.gz WSAYGXNXXKJYOF-CHWSQXEVSA-N 1 1 322.365 0.694 20 5 DCBDMO COc1cc(C[N@@H+](C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])ccn1 ZINC001660140263 1173950343 /nfs/dbraw/zinc/95/03/43/1173950343.db2.gz WSAYGXNXXKJYOF-CHWSQXEVSA-N 1 1 322.365 0.694 20 5 DCBDMO C[C@H]1CC[N@@H+](CCNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001678816557 1175679890 /nfs/dbraw/zinc/67/98/90/1175679890.db2.gz HGGGCXGZDGZDMU-NSHDSACASA-N 1 1 310.358 0.432 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C/C=C/CNC(=O)C1(C)CC1 ZINC001699264249 1178003839 /nfs/dbraw/zinc/00/38/39/1178003839.db2.gz YFYJJPCSVIMVCC-ONEGZZNKSA-N 1 1 307.354 0.890 20 5 DCBDMO CCN(CC[NH2+]CCc1ccnn1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001715733053 1181965210 /nfs/dbraw/zinc/96/52/10/1181965210.db2.gz ZIVRASVDCIJAMW-CHWSQXEVSA-N 1 1 309.370 0.066 20 5 DCBDMO CCc1nc(C)c(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001732848562 1186010911 /nfs/dbraw/zinc/01/09/11/1186010911.db2.gz BFTLXKGWEMSIFL-XLMCQVRKSA-N 1 1 322.365 0.973 20 5 DCBDMO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ncc([N+](=O)[O-])cc1N ZINC001164923172 721877170 /nfs/dbraw/zinc/87/71/70/721877170.db2.gz JAMXRZABGYKYCQ-KGLIPLIRSA-N 1 1 320.397 0.787 20 5 DCBDMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ncc([N+](=O)[O-])cc1N ZINC001164923172 721877171 /nfs/dbraw/zinc/87/71/71/721877171.db2.gz JAMXRZABGYKYCQ-KGLIPLIRSA-N 1 1 320.397 0.787 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)Cc1cccnc1 ZINC001125701157 747515584 /nfs/dbraw/zinc/51/55/84/747515584.db2.gz KZCGWGQOZQTOQG-UHFFFAOYSA-N 1 1 318.337 0.172 20 5 DCBDMO Cc1cc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)co1 ZINC001126233316 748329156 /nfs/dbraw/zinc/32/91/56/748329156.db2.gz YFYDMXLTIMZGFN-UHFFFAOYSA-N 1 1 307.310 0.749 20 5 DCBDMO COc1ccc(CC[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001126943103 750155846 /nfs/dbraw/zinc/15/58/46/750155846.db2.gz LEKHAGVVSJLNRQ-ZIAGYGMSSA-N 1 1 307.350 0.609 20 5 DCBDMO COCC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2C1 ZINC001054264985 756420265 /nfs/dbraw/zinc/42/02/65/756420265.db2.gz YNMDLQSOICIMEC-HUUCEWRRSA-N 1 1 319.361 0.930 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1ccccc1 ZINC001122780141 767873985 /nfs/dbraw/zinc/87/39/85/767873985.db2.gz HTXFTDUOPAPLRE-UHFFFAOYSA-N 1 1 303.322 0.848 20 5 DCBDMO Cc1nn(C)cc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086083086 759691003 /nfs/dbraw/zinc/69/10/03/759691003.db2.gz NKDXMRYJFQINBN-YXCITZCRSA-N 1 1 321.381 0.378 20 5 DCBDMO COC(=O)[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCOCC1 ZINC001168967898 760534553 /nfs/dbraw/zinc/53/45/53/760534553.db2.gz UKAAWMCTUPPXDO-WXHSDQCUSA-N 1 1 300.355 0.990 20 5 DCBDMO CCOC(=O)C1(Nc2nccnc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001169490012 760707561 /nfs/dbraw/zinc/70/75/61/760707561.db2.gz AIPLIPOXVUHJFO-UHFFFAOYSA-N 1 1 309.326 0.824 20 5 DCBDMO C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@H+]1C1CCCC1 ZINC001123943571 768083941 /nfs/dbraw/zinc/08/39/41/768083941.db2.gz OSKNATYGVSFMOY-LLVKDONJSA-N 1 1 322.369 0.662 20 5 DCBDMO CCOC(=O)C1=C(Nc2nc(OC)ncc2[N+](=O)[O-])CC[NH2+]C1 ZINC001170514089 763493534 /nfs/dbraw/zinc/49/35/34/763493534.db2.gz QMUWLCJZMVDJLP-UHFFFAOYSA-N 1 1 323.309 0.616 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)Cc1cscn1 ZINC001134856655 765705690 /nfs/dbraw/zinc/70/56/90/765705690.db2.gz MVIQZZDJUQAUGO-UHFFFAOYSA-N 1 1 324.366 0.233 20 5 DCBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001176464391 770108576 /nfs/dbraw/zinc/10/85/76/770108576.db2.gz WVFSJLFUTRSIDF-SNVBAGLBSA-N 1 1 309.322 0.999 20 5 DCBDMO O=C(NCCC[NH2+]CCCC1CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001157767395 771665876 /nfs/dbraw/zinc/66/58/76/771665876.db2.gz LUFHHFIKYYGYBY-ZIAGYGMSSA-N 1 1 313.398 0.954 20 5 DCBDMO O=C1C[NH2+]CCN1CCNc1nccc2cc([N+](=O)[O-])ccc21 ZINC001161025766 772153060 /nfs/dbraw/zinc/15/30/60/772153060.db2.gz YMNMUPGZKWMMTF-UHFFFAOYSA-N 1 1 315.333 0.987 20 5 DCBDMO O=[N+]([O-])c1ccc2nc(NC[C@@]3(CO)COCC[NH2+]3)sc2c1 ZINC001164047184 772608882 /nfs/dbraw/zinc/60/88/82/772608882.db2.gz YMHGEHPCPMSHJX-CYBMUJFWSA-N 1 1 324.362 0.967 20 5 DCBDMO Cn1cc([C@H]2CCC[N@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)nn1 ZINC001198612221 773951031 /nfs/dbraw/zinc/95/10/31/773951031.db2.gz LPOKYUXLUSQEQB-JTQLQIEISA-N 1 1 305.342 0.836 20 5 DCBDMO Cn1cc([C@H]2CCC[N@@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)nn1 ZINC001198612221 773951033 /nfs/dbraw/zinc/95/10/33/773951033.db2.gz LPOKYUXLUSQEQB-JTQLQIEISA-N 1 1 305.342 0.836 20 5 DCBDMO C[N@@H+]1CCO[C@@H](COc2[nH]c(=O)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001227096686 775926603 /nfs/dbraw/zinc/92/66/03/775926603.db2.gz RLGSDPSBDBOVIF-SNVBAGLBSA-N 1 1 320.305 0.953 20 5 DCBDMO C[N@H+]1CCO[C@@H](COc2[nH]c(=O)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001227096686 775926610 /nfs/dbraw/zinc/92/66/10/775926610.db2.gz RLGSDPSBDBOVIF-SNVBAGLBSA-N 1 1 320.305 0.953 20 5 DCBDMO CN(CCN1CC[NH+](CC2CC2)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001317818523 945195064 /nfs/dbraw/zinc/19/50/64/945195064.db2.gz CWBKQSOGGZDYKF-ZIAGYGMSSA-N 1 1 310.398 0.138 20 5 DCBDMO CCC[N@H+](CCNC(=O)C(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC001266571506 939167798 /nfs/dbraw/zinc/16/77/98/939167798.db2.gz WGUFDWNJTIBQJP-UHFFFAOYSA-N 1 1 308.338 0.408 20 5 DCBDMO CCC[N@@H+](CCNC(=O)C(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC001266571506 939167800 /nfs/dbraw/zinc/16/78/00/939167800.db2.gz WGUFDWNJTIBQJP-UHFFFAOYSA-N 1 1 308.338 0.408 20 5 DCBDMO Cc1nn(C)cc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001268541638 940225757 /nfs/dbraw/zinc/22/57/57/940225757.db2.gz LMOSNUGZLMXPBS-CDJBXZAQSA-N 1 1 307.354 0.156 20 5 DCBDMO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2C[NH2+]CC23CNC3)n1 ZINC001247838443 945576623 /nfs/dbraw/zinc/57/66/23/945576623.db2.gz WMIYUCPGKBMXPX-QMMMGPOBSA-N 1 1 320.284 0.455 20 5 DCBDMO Cc1[nH+]ccn1CCOC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001319872594 945682866 /nfs/dbraw/zinc/68/28/66/945682866.db2.gz UERJZVTXNSWYIB-UHFFFAOYSA-N 1 1 306.278 0.505 20 5 DCBDMO CC(=O)NCC(=O)N(C)CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001319966918 945707148 /nfs/dbraw/zinc/70/71/48/945707148.db2.gz SLEFXMBTGTXWEJ-UHFFFAOYSA-N 1 1 322.365 0.621 20 5 DCBDMO CC(=O)NCC(=O)N(C)CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001319966918 945707152 /nfs/dbraw/zinc/70/71/52/945707152.db2.gz SLEFXMBTGTXWEJ-UHFFFAOYSA-N 1 1 322.365 0.621 20 5 DCBDMO CC(C)OCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001279363487 950552659 /nfs/dbraw/zinc/55/26/59/950552659.db2.gz UGLBAIHZZBTPFV-XJFOESAGSA-N 1 1 311.382 0.467 20 5 DCBDMO CC(C)OCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001279363487 950552674 /nfs/dbraw/zinc/55/26/74/950552674.db2.gz UGLBAIHZZBTPFV-XJFOESAGSA-N 1 1 311.382 0.467 20 5 DCBDMO CC(C)OCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001279363487 950552693 /nfs/dbraw/zinc/55/26/93/950552693.db2.gz UGLBAIHZZBTPFV-XJFOESAGSA-N 1 1 311.382 0.467 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(O)(C[NH2+]CCC2CC2)CC1 ZINC001274515628 951675945 /nfs/dbraw/zinc/67/59/45/951675945.db2.gz JTYUMYVEEZTTNI-CHWSQXEVSA-N 1 1 311.382 0.395 20 5 DCBDMO C[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC001335369822 952527243 /nfs/dbraw/zinc/52/72/43/952527243.db2.gz YOLGOEXAUADZJG-XJKSGUPXSA-N 1 1 322.409 0.854 20 5 DCBDMO COC(=O)[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C(=O)OC ZINC001335582906 952560843 /nfs/dbraw/zinc/56/08/43/952560843.db2.gz OLOMTJABOOJLHG-BETUJISGSA-N 1 1 322.317 0.989 20 5 DCBDMO COC(=O)[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C(=O)OC ZINC001335582906 952560845 /nfs/dbraw/zinc/56/08/45/952560845.db2.gz OLOMTJABOOJLHG-BETUJISGSA-N 1 1 322.317 0.989 20 5 DCBDMO COC(=O)CC(C)(C)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001340962678 953204534 /nfs/dbraw/zinc/20/45/34/953204534.db2.gz OXUDSZRYPYUIIJ-NSHDSACASA-N 1 1 314.342 0.426 20 5 DCBDMO CN1CC[C@@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001353273050 955999602 /nfs/dbraw/zinc/99/96/02/955999602.db2.gz MPLIOIQKZYNXFO-JSGCOSHPSA-N 1 1 309.366 0.876 20 5 DCBDMO Nc1cc(N2CC[C@@H](C[NH+]3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC001354120383 956293199 /nfs/dbraw/zinc/29/31/99/956293199.db2.gz QZTGIYZXOBGXKC-NSHDSACASA-N 1 1 307.354 0.731 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001295513766 957737587 /nfs/dbraw/zinc/73/75/87/957737587.db2.gz IODBZKHINPZGBC-IUODEOHRSA-N 1 1 323.349 0.675 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC001295513766 957737599 /nfs/dbraw/zinc/73/75/99/957737599.db2.gz IODBZKHINPZGBC-IUODEOHRSA-N 1 1 323.349 0.675 20 5 DCBDMO C[C@@H]1C[N@H+](C2CC2)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC001306859898 960133329 /nfs/dbraw/zinc/13/33/29/960133329.db2.gz USORDNPAZIBZQB-LLVKDONJSA-N 1 1 307.354 0.877 20 5 DCBDMO NC(=O)C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC001473759099 1016965685 /nfs/dbraw/zinc/96/56/85/1016965685.db2.gz WWDPHOISCRBVNW-UHFFFAOYSA-N 1 1 323.349 0.940 20 5 DCBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001545911928 1007532108 /nfs/dbraw/zinc/53/21/08/1007532108.db2.gz WJMQVJZPUOLOKT-LLVKDONJSA-N 1 1 323.353 0.101 20 5 DCBDMO C[C@@H]1[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@H+]1C ZINC001477127166 1017256434 /nfs/dbraw/zinc/25/64/34/1017256434.db2.gz GAFYOUIFLKMLKY-KCJUWKMLSA-N 1 1 321.337 0.908 20 5 DCBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001444544605 1011055886 /nfs/dbraw/zinc/05/58/86/1011055886.db2.gz CLITVRMHCQXRES-ONGXEEELSA-N 1 1 307.354 0.984 20 5 DCBDMO O=C(N[C@H]1C[C@@H]([NH2+]CCOCC(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001480203611 1018310088 /nfs/dbraw/zinc/31/00/88/1018310088.db2.gz QUUNGBUOCHGZIO-UTINFBMNSA-N 1 1 307.297 0.170 20 5 DCBDMO COC(=O)C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090512307 185299764 /nfs/dbraw/zinc/29/97/64/185299764.db2.gz IIVWWUBSWKYAJK-UHFFFAOYSA-N 1 1 309.322 0.642 20 5 DCBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000157352824 529799691 /nfs/dbraw/zinc/79/96/91/529799691.db2.gz ZKAZSZPBPVWQPI-GHMZBOCLSA-N 1 1 308.342 0.129 20 5 DCBDMO CCn1cc(S(=O)(=O)N2CC[NH2+]C(C)(C)C2)c([N+](=O)[O-])n1 ZINC000568664892 291441205 /nfs/dbraw/zinc/44/12/05/291441205.db2.gz WKLZMLXLPVQXQT-UHFFFAOYSA-N 1 1 317.371 0.184 20 5 DCBDMO Cc1c(C(=O)NC[C@H]2C[N@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000264762341 204137533 /nfs/dbraw/zinc/13/75/33/204137533.db2.gz UKLRENOWKDNYAQ-LBPRGKRZSA-N 1 1 306.366 0.879 20 5 DCBDMO CC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000282482092 217028196 /nfs/dbraw/zinc/02/81/96/217028196.db2.gz VLGPPHXJFCBPJY-TZMCWYRMSA-N 1 1 323.349 0.545 20 5 DCBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1 ZINC000339416235 253081307 /nfs/dbraw/zinc/08/13/07/253081307.db2.gz ZCFSKKZYZNQWMO-GFCCVEGCSA-N 1 1 321.341 0.212 20 5 DCBDMO NS(=O)(=O)[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000339845325 253152940 /nfs/dbraw/zinc/15/29/40/253152940.db2.gz FNZRXYONGKKJMY-GFCCVEGCSA-N 1 1 315.351 0.336 20 5 DCBDMO NS(=O)(=O)[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000339845325 253152943 /nfs/dbraw/zinc/15/29/43/253152943.db2.gz FNZRXYONGKKJMY-GFCCVEGCSA-N 1 1 315.351 0.336 20 5 DCBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H](C)C1 ZINC000346154021 254016435 /nfs/dbraw/zinc/01/64/35/254016435.db2.gz ILBAIENOAIZIOQ-XQQFMLRXSA-N 1 1 321.381 0.980 20 5 DCBDMO C[C@H](CO)[N@H+]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000346641134 254077515 /nfs/dbraw/zinc/07/75/15/254077515.db2.gz LCHYRTICGYUUOT-CYBMUJFWSA-N 1 1 324.381 0.145 20 5 DCBDMO C[NH+]1CCN(CCC(C)(C)NC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000352111608 254399652 /nfs/dbraw/zinc/39/96/52/254399652.db2.gz MJLCGHQWWHJQCN-UHFFFAOYSA-N 1 1 324.385 0.464 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000108298499 395787961 /nfs/dbraw/zinc/78/79/61/395787961.db2.gz XPGYNBVZNYROIC-GFCCVEGCSA-N 1 1 307.354 0.700 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000193572991 395771809 /nfs/dbraw/zinc/77/18/09/395771809.db2.gz BLAWIBZJQAHLDB-LKFCYVNXSA-N 1 1 320.349 0.956 20 5 DCBDMO NC(=O)[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000051131849 395846031 /nfs/dbraw/zinc/84/60/31/395846031.db2.gz GWLRNDMKPKORCW-GFCCVEGCSA-N 1 1 322.321 0.110 20 5 DCBDMO NC(=O)[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000051131849 395846032 /nfs/dbraw/zinc/84/60/32/395846032.db2.gz GWLRNDMKPKORCW-GFCCVEGCSA-N 1 1 322.321 0.110 20 5 DCBDMO NC(=O)N[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000270677966 395796231 /nfs/dbraw/zinc/79/62/31/395796231.db2.gz MHTNRJHRYIFIQV-PWSUYJOCSA-N 1 1 324.337 0.077 20 5 DCBDMO C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000124002353 395899286 /nfs/dbraw/zinc/89/92/86/395899286.db2.gz SZWQHXVHMPUSJQ-RISCZKNCSA-N 1 1 322.365 0.842 20 5 DCBDMO C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000124002353 395899291 /nfs/dbraw/zinc/89/92/91/395899291.db2.gz SZWQHXVHMPUSJQ-RISCZKNCSA-N 1 1 322.365 0.842 20 5 DCBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000132370508 395926589 /nfs/dbraw/zinc/92/65/89/395926589.db2.gz VQCMFNHWGLIVJB-LLVKDONJSA-N 1 1 308.338 0.357 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](N3CCCC3)C2)c1 ZINC000247523480 395976128 /nfs/dbraw/zinc/97/61/28/395976128.db2.gz NQMXFXIBJLVZKU-OCCSQVGLSA-N 1 1 309.370 0.322 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](N3CCCC3)C2)c1 ZINC000247523480 395976130 /nfs/dbraw/zinc/97/61/30/395976130.db2.gz NQMXFXIBJLVZKU-OCCSQVGLSA-N 1 1 309.370 0.322 20 5 DCBDMO NC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248437190 395987172 /nfs/dbraw/zinc/98/71/72/395987172.db2.gz BCXIIHNJRWULCB-YPMHNXCESA-N 1 1 323.349 0.674 20 5 DCBDMO NC(=O)[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248437190 395987178 /nfs/dbraw/zinc/98/71/78/395987178.db2.gz BCXIIHNJRWULCB-YPMHNXCESA-N 1 1 323.349 0.674 20 5 DCBDMO COCC[N@@H+](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000151753475 395992629 /nfs/dbraw/zinc/99/26/29/395992629.db2.gz LSWWNPRIVNCPEO-UHFFFAOYSA-N 1 1 313.329 0.971 20 5 DCBDMO C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000156972283 396062515 /nfs/dbraw/zinc/06/25/15/396062515.db2.gz UMRIWKXRVUUPMJ-FZMZJTMJSA-N 1 1 323.349 0.809 20 5 DCBDMO C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000156972283 396062516 /nfs/dbraw/zinc/06/25/16/396062516.db2.gz UMRIWKXRVUUPMJ-FZMZJTMJSA-N 1 1 323.349 0.809 20 5 DCBDMO Cc1n[nH]c(C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000261915195 396078799 /nfs/dbraw/zinc/07/87/99/396078799.db2.gz IAONFTKLUSFWGE-NSHDSACASA-N 1 1 316.321 0.808 20 5 DCBDMO Cc1[nH]nc(C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000261915195 396078801 /nfs/dbraw/zinc/07/88/01/396078801.db2.gz IAONFTKLUSFWGE-NSHDSACASA-N 1 1 316.321 0.808 20 5 DCBDMO CCN1CC[NH+](C[C@@H](C)CNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000076921894 396209778 /nfs/dbraw/zinc/20/97/78/396209778.db2.gz FLIMCFGOQGRVGX-NSHDSACASA-N 1 1 323.401 0.653 20 5 DCBDMO Cc1cc(NC[C@@](C)(O)C[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000074766232 396172103 /nfs/dbraw/zinc/17/21/03/396172103.db2.gz JLTKTUCGANCOCD-CQSZACIVSA-N 1 1 310.354 0.793 20 5 DCBDMO CCOC(=O)C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000075680517 396185140 /nfs/dbraw/zinc/18/51/40/396185140.db2.gz UGMZTIYZJNGTPV-LBPRGKRZSA-N 1 1 314.342 0.426 20 5 DCBDMO CCOC(=O)C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000075680517 396185145 /nfs/dbraw/zinc/18/51/45/396185145.db2.gz UGMZTIYZJNGTPV-LBPRGKRZSA-N 1 1 314.342 0.426 20 5 DCBDMO Nc1nc(N2CC[C@@H](C[NH+]3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC000078405324 396244045 /nfs/dbraw/zinc/24/40/45/396244045.db2.gz DEXRZRRHSOLJQO-JTQLQIEISA-N 1 1 308.342 0.126 20 5 DCBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)CN1CCOCC1 ZINC000078542189 396247507 /nfs/dbraw/zinc/24/75/07/396247507.db2.gz FKGUWDVMWNYMLH-CQSZACIVSA-N 1 1 309.366 0.720 20 5 DCBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)CN1CCOCC1 ZINC000078542189 396247510 /nfs/dbraw/zinc/24/75/10/396247510.db2.gz FKGUWDVMWNYMLH-CQSZACIVSA-N 1 1 309.366 0.720 20 5 DCBDMO C[N@@H+](CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CCCC1 ZINC000264097912 396254838 /nfs/dbraw/zinc/25/48/38/396254838.db2.gz AMSXPCJPZXBKGI-UHFFFAOYSA-N 1 1 322.365 0.747 20 5 DCBDMO CC[N@@H+](CCO)CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000183933330 396278334 /nfs/dbraw/zinc/27/83/34/396278334.db2.gz HBXPFMZFIBWFRU-UHFFFAOYSA-N 1 1 310.354 0.437 20 5 DCBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CCN1C(=O)CNC1=O ZINC000282388048 396286454 /nfs/dbraw/zinc/28/64/54/396286454.db2.gz GNVFYSPUYVSKKA-UHFFFAOYSA-N 1 1 306.322 0.621 20 5 DCBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000081290833 396295994 /nfs/dbraw/zinc/29/59/94/396295994.db2.gz WPHOBSLJNXSEAU-GFCCVEGCSA-N 1 1 322.369 0.567 20 5 DCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000264665535 396300505 /nfs/dbraw/zinc/30/05/05/396300505.db2.gz SEEIHRHUFYLDDT-ZDUSSCGKSA-N 1 1 307.354 0.962 20 5 DCBDMO C[C@@H](O)C[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000186784672 396357869 /nfs/dbraw/zinc/35/78/69/396357869.db2.gz GVUYLOHRNPXSOF-GFCCVEGCSA-N 1 1 307.350 0.662 20 5 DCBDMO O=C([C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000287579185 396409296 /nfs/dbraw/zinc/40/92/96/396409296.db2.gz XUPNZANHRSDSAK-GFCCVEGCSA-N 1 1 307.354 0.736 20 5 DCBDMO CNC(=O)C[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000269535299 396422443 /nfs/dbraw/zinc/42/24/43/396422443.db2.gz UAHZVSMLFVTZPA-UHFFFAOYSA-N 1 1 308.338 0.910 20 5 DCBDMO [NH3+]CC(F)(F)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000581012808 396519443 /nfs/dbraw/zinc/51/94/43/396519443.db2.gz WBADJOUZJPCNNK-UHFFFAOYSA-N 1 1 303.221 0.647 20 5 DCBDMO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000594964881 396541438 /nfs/dbraw/zinc/54/14/38/396541438.db2.gz BVZITNAAQZLLQC-RYUDHWBXSA-N 1 1 300.336 0.496 20 5 DCBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cnc3N)[C@@H]2C1 ZINC000373395076 396588387 /nfs/dbraw/zinc/58/83/87/396588387.db2.gz SWUFBSOVGMPVDD-JOYOIKCWSA-N 1 1 305.338 0.738 20 5 DCBDMO CCC[N@H+]1CC[C@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000595353757 396594173 /nfs/dbraw/zinc/59/41/73/396594173.db2.gz KDVDJLHIPRJWAY-JTQLQIEISA-N 1 1 314.367 0.752 20 5 DCBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)[C@H]2C1 ZINC000293850645 396637764 /nfs/dbraw/zinc/63/77/64/396637764.db2.gz ITEUSVXGWOQETC-NWDGAFQWSA-N 1 1 308.338 0.858 20 5 DCBDMO C[C@H](C[NH+]1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596120040 396720201 /nfs/dbraw/zinc/72/02/01/396720201.db2.gz CRKZTEYETVWGOU-LLVKDONJSA-N 1 1 321.381 0.742 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000316757132 396797515 /nfs/dbraw/zinc/79/75/15/396797515.db2.gz JUMMEQRJXASWCQ-YRGRVCCFSA-N 1 1 309.370 0.369 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000316757132 396797522 /nfs/dbraw/zinc/79/75/22/396797522.db2.gz JUMMEQRJXASWCQ-YRGRVCCFSA-N 1 1 309.370 0.369 20 5 DCBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000591438349 396921348 /nfs/dbraw/zinc/92/13/48/396921348.db2.gz ICZCKGZVBAHYAH-LBPRGKRZSA-N 1 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ZINC000593448228 397369304 /nfs/dbraw/zinc/36/93/04/397369304.db2.gz KVDTULRGFYNOCS-UHFFFAOYSA-N 1 1 313.329 0.971 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000602837487 397498706 /nfs/dbraw/zinc/49/87/06/397498706.db2.gz NXJFQLDXJKDDJK-LBPRGKRZSA-N 1 1 324.385 0.835 20 5 DCBDMO Cc1[nH]nc(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000579549817 397579387 /nfs/dbraw/zinc/57/93/87/397579387.db2.gz NPCLWBUEFPMEGP-UHFFFAOYSA-N 1 1 305.298 0.312 20 5 DCBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1C[N@@H+](C)CCN1C ZINC000609517073 397778743 /nfs/dbraw/zinc/77/87/43/397778743.db2.gz JJQFYRKTESVOMF-GFCCVEGCSA-N 1 1 321.381 0.612 20 5 DCBDMO Cc1n[nH]c(C(=O)NCCCN2CCC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000609624056 397787263 /nfs/dbraw/zinc/78/72/63/397787263.db2.gz RWMOIFOJFPCKJW-UHFFFAOYSA-N 1 1 324.385 0.384 20 5 DCBDMO Cc1n[nH]c(C(=O)NCCC[N@H+]2CCCN(C)CC2)c1[N+](=O)[O-] ZINC000609624056 397787268 /nfs/dbraw/zinc/78/72/68/397787268.db2.gz RWMOIFOJFPCKJW-UHFFFAOYSA-N 1 1 324.385 0.384 20 5 DCBDMO Cc1n[nH]c(C(=O)NCCC[N@@H+]2CCCN(C)CC2)c1[N+](=O)[O-] ZINC000609624056 397787273 /nfs/dbraw/zinc/78/72/73/397787273.db2.gz RWMOIFOJFPCKJW-UHFFFAOYSA-N 1 1 324.385 0.384 20 5 DCBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)C[NH+]1CCOCC1 ZINC000609996786 397799997 /nfs/dbraw/zinc/79/99/97/397799997.db2.gz LQGWQMVDYCWEGT-LLVKDONJSA-N 1 1 310.354 0.631 20 5 DCBDMO C[N@H+]1CCC[C@H](N2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000610453336 397822632 /nfs/dbraw/zinc/82/26/32/397822632.db2.gz NRBHQMHEHSTKSX-AWEZNQCLSA-N 1 1 322.413 0.503 20 5 DCBDMO O=[N+]([O-])c1ccc(NCCCCN2CC[NH+](CCO)CC2)nc1 ZINC000114450777 158152853 /nfs/dbraw/zinc/15/28/53/158152853.db2.gz GMBUTZKASMMQOZ-UHFFFAOYSA-N 1 1 323.397 0.792 20 5 DCBDMO CC[C@@](C)([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000133629599 158320795 /nfs/dbraw/zinc/32/07/95/158320795.db2.gz LYRGSQWNXVVHBB-CQSZACIVSA-N 1 1 308.338 0.801 20 5 DCBDMO Cn1c(C(=O)N2CC[NH+](CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000316062423 159001701 /nfs/dbraw/zinc/00/17/01/159001701.db2.gz XVPCTISWQLUGNX-UHFFFAOYSA-N 1 1 310.354 0.462 20 5 DCBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCNC1=O ZINC000340223283 159221133 /nfs/dbraw/zinc/22/11/33/159221133.db2.gz QAEIWGRPMWOBHI-GFCCVEGCSA-N 1 1 306.322 0.744 20 5 DCBDMO O=C1[C@@H]([N@H+]2C[C@H](O)C[C@H]2CO)CCN1c1cccc([N+](=O)[O-])c1 ZINC000366731363 159282391 /nfs/dbraw/zinc/28/23/91/159282391.db2.gz FOJXZIVPHOUHME-MJBXVCDLSA-N 1 1 321.333 0.128 20 5 DCBDMO O=C1[C@@H]([N@@H+]2C[C@H](O)C[C@H]2CO)CCN1c1cccc([N+](=O)[O-])c1 ZINC000366731363 159282392 /nfs/dbraw/zinc/28/23/92/159282392.db2.gz FOJXZIVPHOUHME-MJBXVCDLSA-N 1 1 321.333 0.128 20 5 DCBDMO CN(CC[N@@H+](C)CCO)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001647835820 1173056878 /nfs/dbraw/zinc/05/68/78/1173056878.db2.gz FJQOYYDLINLHSQ-UHFFFAOYSA-N 1 1 314.317 0.312 20 5 DCBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N1CCOCC1 ZINC000352570024 415233365 /nfs/dbraw/zinc/23/33/65/415233365.db2.gz AXHRHIIGINVPAH-UHFFFAOYSA-N 1 1 307.350 0.928 20 5 DCBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N1CCOCC1 ZINC000352570024 415233368 /nfs/dbraw/zinc/23/33/68/415233368.db2.gz AXHRHIIGINVPAH-UHFFFAOYSA-N 1 1 307.350 0.928 20 5 DCBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1COC[C@@H]1O ZINC000352816215 415333092 /nfs/dbraw/zinc/33/30/92/415333092.db2.gz NIGFHOYABAIRKR-OLZOCXBDSA-N 1 1 309.322 0.615 20 5 DCBDMO C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[N@@H+](C)C1CC1 ZINC000057703651 415338606 /nfs/dbraw/zinc/33/86/06/415338606.db2.gz HXIUHABLESCWNB-JTQLQIEISA-N 1 1 308.338 0.355 20 5 DCBDMO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@@H+]1CCOC ZINC000285644039 415614005 /nfs/dbraw/zinc/61/40/05/415614005.db2.gz ZNGXFDSWKHAELE-SNVBAGLBSA-N 1 1 311.342 0.501 20 5 DCBDMO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@H+]1CCOC ZINC000285644039 415614016 /nfs/dbraw/zinc/61/40/16/415614016.db2.gz ZNGXFDSWKHAELE-SNVBAGLBSA-N 1 1 311.342 0.501 20 5 DCBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000343723189 415697575 /nfs/dbraw/zinc/69/75/75/415697575.db2.gz NCBHFGVOWDNSAM-CMPLNLGQSA-N 1 1 309.322 0.155 20 5 DCBDMO Cc1cnn([C@@H]2CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000289869933 415727805 /nfs/dbraw/zinc/72/78/05/415727805.db2.gz LRASWZFDSZTCTD-TZMCWYRMSA-N 1 1 320.353 0.604 20 5 DCBDMO O=C1NCCN1CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000290209410 415775975 /nfs/dbraw/zinc/77/59/75/415775975.db2.gz HEMVWLSCFKCLJD-UHFFFAOYSA-N 1 1 319.365 0.742 20 5 DCBDMO NC(=O)N[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337312278 415941756 /nfs/dbraw/zinc/94/17/56/415941756.db2.gz DZTFXQRZVIITRG-JTQLQIEISA-N 1 1 321.337 0.666 20 5 DCBDMO Cc1nc(N2CCN(c3[nH+]ccn3C)CC2)ncc1[N+](=O)[O-] ZINC000297267557 415961725 /nfs/dbraw/zinc/96/17/25/415961725.db2.gz WLUSYGXUGOSJRP-UHFFFAOYSA-N 1 1 303.326 0.753 20 5 DCBDMO CN1CCN(C(=O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000338370698 416087337 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DCBDMO CCN1CCN([C@@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000177026299 416139808 /nfs/dbraw/zinc/13/98/08/416139808.db2.gz BMUJUQBWSGXSDH-CQSZACIVSA-N 1 1 322.413 0.503 20 5 DCBDMO COc1ccc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000358072453 416187565 /nfs/dbraw/zinc/18/75/65/416187565.db2.gz ZNJDGJKDZLNTCL-AWEZNQCLSA-N 1 1 309.322 0.400 20 5 DCBDMO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@H+]1C[C@H](C)O ZINC000330678036 416228920 /nfs/dbraw/zinc/22/89/20/416228920.db2.gz BXFNGARDHVRUGA-WDEREUQCSA-N 1 1 310.354 0.840 20 5 DCBDMO O=C(Cc1ccccc1[N+](=O)[O-])NCC[N@H+]1CCCOCC1 ZINC000189464985 416266491 /nfs/dbraw/zinc/26/64/91/416266491.db2.gz ISRDNZCCNLGCPA-UHFFFAOYSA-N 1 1 307.350 0.976 20 5 DCBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1c([N+](=O)[O-])ncn1C ZINC000331296705 416304812 /nfs/dbraw/zinc/30/48/12/416304812.db2.gz OAQGKSDTAUXSDJ-NSHDSACASA-N 1 1 311.386 0.605 20 5 DCBDMO Cc1cc(OCC(=O)NC[C@@]2(O)CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000435819064 416537863 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417575918 /nfs/dbraw/zinc/57/59/18/417575918.db2.gz QNDVLGQPCGJEAC-JTQLQIEISA-N 1 1 307.354 1.034 20 5 DCBDMO CNc1nccc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000579255321 417689482 /nfs/dbraw/zinc/68/94/82/417689482.db2.gz BRIFVTSMJPMIME-JQWIXIFHSA-N 1 1 321.381 1.444 20 5 DCBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000456357941 417644723 /nfs/dbraw/zinc/64/47/23/417644723.db2.gz SPBQCAJDQURBCK-LBPRGKRZSA-N 1 1 322.365 0.699 20 5 DCBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)CC(N)=O ZINC000276369150 261171514 /nfs/dbraw/zinc/17/15/14/261171514.db2.gz CIHUOHBAOWIJCB-UHFFFAOYSA-N 1 1 324.337 0.739 20 5 DCBDMO COC(=O)[C@H]1CN(c2ncc([N+](=O)[O-])s2)CC[N@H+](C)C1 ZINC000413503937 262214615 /nfs/dbraw/zinc/21/46/15/262214615.db2.gz SNUVMHQJKHXCHO-MRVPVSSYSA-N 1 1 300.340 0.592 20 5 DCBDMO COC(=O)[C@H]1CN(c2ncc([N+](=O)[O-])s2)CC[N@@H+](C)C1 ZINC000413503937 262214616 /nfs/dbraw/zinc/21/46/16/262214616.db2.gz SNUVMHQJKHXCHO-MRVPVSSYSA-N 1 1 300.340 0.592 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2nnc(C3CC3)s2)c1 ZINC000563007937 288615634 /nfs/dbraw/zinc/61/56/34/288615634.db2.gz POEGEYODLFQPKV-JTQLQIEISA-N 1 1 324.366 0.671 20 5 DCBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H](C)C1 ZINC000188295422 525792548 /nfs/dbraw/zinc/79/25/48/525792548.db2.gz MCWAOQVQTKTQBL-WDEREUQCSA-N 1 1 322.365 0.704 20 5 DCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H](C)C1 ZINC000188295422 525792555 /nfs/dbraw/zinc/79/25/55/525792555.db2.gz MCWAOQVQTKTQBL-WDEREUQCSA-N 1 1 322.365 0.704 20 5 DCBDMO CC(C)[C@H]1CN(C)CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000330993135 527850341 /nfs/dbraw/zinc/85/03/41/527850341.db2.gz STZMMYGPGPPWIV-UONOGXRCSA-N 1 1 311.386 0.424 20 5 DCBDMO CC(C)[C@H]1C[N@H+](C)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000330993135 527850346 /nfs/dbraw/zinc/85/03/46/527850346.db2.gz STZMMYGPGPPWIV-UONOGXRCSA-N 1 1 311.386 0.424 20 5 DCBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000330993135 527850350 /nfs/dbraw/zinc/85/03/50/527850350.db2.gz STZMMYGPGPPWIV-UONOGXRCSA-N 1 1 311.386 0.424 20 5 DCBDMO CC[N@H+]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C[C@H]1C ZINC000825465786 607821970 /nfs/dbraw/zinc/82/19/70/607821970.db2.gz QPBYYAJPYAEWHB-SECBINFHSA-N 1 1 318.341 0.700 20 5 DCBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cnn[nH]1 ZINC001022351423 657779489 /nfs/dbraw/zinc/77/94/89/657779489.db2.gz YKJJGEGYHXEZMA-PHIMTYICSA-N 1 1 316.321 0.764 20 5 DCBDMO Cc1nccnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001022064164 658821319 /nfs/dbraw/zinc/82/13/19/658821319.db2.gz YWUXIXFDGPKGTG-LSCVPOLPSA-N 1 1 305.338 0.187 20 5 DCBDMO Cn1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000983652409 661997641 /nfs/dbraw/zinc/99/76/41/661997641.db2.gz CEVBVQFZGMQYFQ-OJAKKHQRSA-N 1 1 307.354 0.070 20 5 DCBDMO C[C@H]1[C@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC[N@H+]1C ZINC000895738690 662211774 /nfs/dbraw/zinc/21/17/74/662211774.db2.gz YALYMNYAXLHRPA-WDEREUQCSA-N 1 1 322.369 0.726 20 5 DCBDMO CN(Cc1cnon1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985425333 662438443 /nfs/dbraw/zinc/43/84/43/662438443.db2.gz GCWHMIBLFAHBOQ-VXGBXAGGSA-N 1 1 309.326 0.158 20 5 DCBDMO C[N@@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000899729901 663183615 /nfs/dbraw/zinc/18/36/15/663183615.db2.gz QDWRJTNCFFTOGH-UHFFFAOYSA-N 1 1 301.730 0.902 20 5 DCBDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000900859326 663288477 /nfs/dbraw/zinc/28/84/77/663288477.db2.gz YYKQURYXHYCRMB-DOMZBBRYSA-N 1 1 307.350 0.709 20 5 DCBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@@H+](C)CCO ZINC000912610150 664194635 /nfs/dbraw/zinc/19/46/35/664194635.db2.gz FBFDXWRHDLLZCA-UHFFFAOYSA-N 1 1 324.381 0.657 20 5 DCBDMO C[N@@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@H](CO)C1 ZINC000912742823 664218183 /nfs/dbraw/zinc/21/81/83/664218183.db2.gz JARJTEXLYNTMIB-AWEZNQCLSA-N 1 1 307.350 0.662 20 5 DCBDMO C[N@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@H](CO)C1 ZINC000912742823 664218186 /nfs/dbraw/zinc/21/81/86/664218186.db2.gz JARJTEXLYNTMIB-AWEZNQCLSA-N 1 1 307.350 0.662 20 5 DCBDMO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000921413311 665301987 /nfs/dbraw/zinc/30/19/87/665301987.db2.gz JINZLURGUVTSMW-CYBMUJFWSA-N 1 1 313.379 0.761 20 5 DCBDMO C[N@H+]1CC[C@@H]1CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000921413311 665301988 /nfs/dbraw/zinc/30/19/88/665301988.db2.gz JINZLURGUVTSMW-CYBMUJFWSA-N 1 1 313.379 0.761 20 5 DCBDMO CO[C@H]1C[N@@H+](C)[C@](C)(COC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000861345410 666920213 /nfs/dbraw/zinc/92/02/13/666920213.db2.gz TZNXCEBKFKRRRJ-MFKMUULPSA-N 1 1 312.326 0.444 20 5 DCBDMO Nc1ccc(C(=O)NC2CC([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000862103673 667017816 /nfs/dbraw/zinc/01/78/16/667017816.db2.gz QXQILXFKQGIPEF-UHFFFAOYSA-N 1 1 320.349 0.770 20 5 DCBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000863830103 667187583 /nfs/dbraw/zinc/18/75/83/667187583.db2.gz PJCNGDKQQHEMAU-LBPRGKRZSA-N 1 1 322.365 0.457 20 5 DCBDMO COCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001035186945 667268118 /nfs/dbraw/zinc/26/81/18/667268118.db2.gz MSLXMOPYVNENEB-CHWSQXEVSA-N 1 1 311.382 0.613 20 5 DCBDMO COCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001035186945 667268120 /nfs/dbraw/zinc/26/81/20/667268120.db2.gz MSLXMOPYVNENEB-CHWSQXEVSA-N 1 1 311.382 0.613 20 5 DCBDMO COCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC001035186945 667268121 /nfs/dbraw/zinc/26/81/21/667268121.db2.gz MSLXMOPYVNENEB-CHWSQXEVSA-N 1 1 311.382 0.613 20 5 DCBDMO COCC[N@@H+](C)CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865123514 667307223 /nfs/dbraw/zinc/30/72/23/667307223.db2.gz LYZKSYMXFWANQQ-UHFFFAOYSA-N 1 1 313.329 0.971 20 5 DCBDMO C[N@H+]1CCC[C@@H](N2CCN(Cn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000738209543 667660866 /nfs/dbraw/zinc/66/08/66/667660866.db2.gz COCLVONXTPKVOU-CYBMUJFWSA-N 1 1 308.386 0.461 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889764667 667993820 /nfs/dbraw/zinc/99/38/20/667993820.db2.gz SUPCNPSILUWLSP-UONOGXRCSA-N 1 1 320.349 0.661 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)CC[NH+]1CCOCC1 ZINC000751349332 667999930 /nfs/dbraw/zinc/99/99/30/667999930.db2.gz HAGIAUKZYVBYHK-UHFFFAOYSA-N 1 1 323.349 0.942 20 5 DCBDMO C[NH+](C)CCOc1ccc(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839655945 668129209 /nfs/dbraw/zinc/12/92/09/668129209.db2.gz LCFBMYCPMFIUDZ-HUUCEWRRSA-N 1 1 321.377 0.951 20 5 DCBDMO C[NH+](C)C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])Cc2ccccc2C1 ZINC000839689749 668130975 /nfs/dbraw/zinc/13/09/75/668130975.db2.gz RVTSBSHCFGWYBV-ZIAGYGMSSA-N 1 1 303.362 0.867 20 5 DCBDMO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC000926140541 668377366 /nfs/dbraw/zinc/37/73/66/668377366.db2.gz CPZXFKYOGGUZPD-BQVODAHPSA-N 1 1 311.382 0.248 20 5 DCBDMO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000926140541 668377370 /nfs/dbraw/zinc/37/73/70/668377370.db2.gz CPZXFKYOGGUZPD-BQVODAHPSA-N 1 1 311.382 0.248 20 5 DCBDMO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000926140541 668377372 /nfs/dbraw/zinc/37/73/72/668377372.db2.gz CPZXFKYOGGUZPD-BQVODAHPSA-N 1 1 311.382 0.248 20 5 DCBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)C1(O)CCOCC1 ZINC000929163766 668659517 /nfs/dbraw/zinc/65/95/17/668659517.db2.gz CMDAOYPODWAFGY-CQSZACIVSA-N 1 1 310.350 0.929 20 5 DCBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)C1(O)CCOCC1 ZINC000929163766 668659520 /nfs/dbraw/zinc/65/95/20/668659520.db2.gz CMDAOYPODWAFGY-CQSZACIVSA-N 1 1 310.350 0.929 20 5 DCBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000930353365 669000337 /nfs/dbraw/zinc/00/03/37/669000337.db2.gz JGICEFKNMRRUTE-HOTGVXAUSA-N 1 1 324.377 0.972 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000930368537 669002180 /nfs/dbraw/zinc/00/21/80/669002180.db2.gz USGCOVGXEAHYRC-LLVKDONJSA-N 1 1 307.354 0.700 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000879573506 669065625 /nfs/dbraw/zinc/06/56/25/669065625.db2.gz OYCHQGMXAHRLJN-KWCYVHTRSA-N 1 1 309.370 0.178 20 5 DCBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000930874160 669098381 /nfs/dbraw/zinc/09/83/81/669098381.db2.gz FDYQAOSOKPPRMJ-CMPLNLGQSA-N 1 1 305.338 0.888 20 5 DCBDMO CN1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000880131193 669162590 /nfs/dbraw/zinc/16/25/90/669162590.db2.gz IBQOXTKYINJHHK-MGPQQGTHSA-N 1 1 309.370 0.321 20 5 DCBDMO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000880131193 669162593 /nfs/dbraw/zinc/16/25/93/669162593.db2.gz IBQOXTKYINJHHK-MGPQQGTHSA-N 1 1 309.370 0.321 20 5 DCBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000880131193 669162594 /nfs/dbraw/zinc/16/25/94/669162594.db2.gz IBQOXTKYINJHHK-MGPQQGTHSA-N 1 1 309.370 0.321 20 5 DCBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)n1 ZINC000880582632 669243407 /nfs/dbraw/zinc/24/34/07/669243407.db2.gz ALDGSLZINJZVAO-LBPRGKRZSA-N 1 1 310.354 0.655 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000934572510 669616668 /nfs/dbraw/zinc/61/66/68/669616668.db2.gz AXSHXDZDADUSHS-SKDRFNHKSA-N 1 1 307.354 0.699 20 5 DCBDMO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000794970550 669869581 /nfs/dbraw/zinc/86/95/81/669869581.db2.gz MNAZNKVOWPRQAX-PJXYFTJBSA-N 1 1 319.317 0.545 20 5 DCBDMO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000794970550 669869583 /nfs/dbraw/zinc/86/95/83/669869583.db2.gz MNAZNKVOWPRQAX-PJXYFTJBSA-N 1 1 319.317 0.545 20 5 DCBDMO CCc1[nH]nc(C(=O)OCCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000795612171 669903088 /nfs/dbraw/zinc/90/30/88/669903088.db2.gz MUNVGRNFZASZKC-UHFFFAOYSA-N 1 1 312.326 0.759 20 5 DCBDMO Nc1ccc(C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000808157407 670393529 /nfs/dbraw/zinc/39/35/29/670393529.db2.gz WKTJCWHRKVVIGI-RYUDHWBXSA-N 1 1 320.349 0.458 20 5 DCBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CCOC2CCC2)C1 ZINC000950055661 670489168 /nfs/dbraw/zinc/48/91/68/670489168.db2.gz JUSXYSVWSKGNOS-ZIAGYGMSSA-N 1 1 311.382 0.753 20 5 DCBDMO CC(C)(CCC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)[N+](=O)[O-] ZINC000856257722 670798269 /nfs/dbraw/zinc/79/82/69/670798269.db2.gz YBKJCYALFWIUFB-CYBMUJFWSA-N 1 1 313.398 0.880 20 5 DCBDMO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000856411810 670816079 /nfs/dbraw/zinc/81/60/79/670816079.db2.gz ANDDKSOGBHZFEK-YNEHKIRRSA-N 1 1 311.382 0.753 20 5 DCBDMO O=C1OCCN1[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000852436725 671130103 /nfs/dbraw/zinc/13/01/03/671130103.db2.gz MOGJRAWSCGVLGU-NSHDSACASA-N 1 1 322.321 0.283 20 5 DCBDMO CC[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])nc1Br ZINC000853065517 671205830 /nfs/dbraw/zinc/20/58/30/671205830.db2.gz UTQCUTZLUCPFOW-SSDOTTSWSA-N 1 1 307.148 0.866 20 5 DCBDMO C[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000825979059 671476407 /nfs/dbraw/zinc/47/64/07/671476407.db2.gz ZDJBELBICQSUAG-LBPRGKRZSA-N 1 1 301.387 0.906 20 5 DCBDMO Cc1nn(C)c(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000827340088 671523721 /nfs/dbraw/zinc/52/37/21/671523721.db2.gz XMGVKGMWFYTQLO-MNOVXSKESA-N 1 1 307.354 0.803 20 5 DCBDMO C[NH+]1CCN(C(=O)CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000827551803 671531288 /nfs/dbraw/zinc/53/12/88/671531288.db2.gz PPJVILGTDZTUHP-UHFFFAOYSA-N 1 1 318.337 0.657 20 5 DCBDMO Cc1noc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020139154 693709589 /nfs/dbraw/zinc/70/95/89/693709589.db2.gz UCQQJLMVLVGTFO-PRULPYPASA-N 1 1 308.338 0.693 20 5 DCBDMO COc1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)ccn1 ZINC001020139002 693709794 /nfs/dbraw/zinc/70/97/94/693709794.db2.gz MAGDBNJWDVDMRU-FDYHWXHSSA-N 1 1 320.349 0.492 20 5 DCBDMO NC(=O)C(=O)N1CC2(C1)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001072934417 694685662 /nfs/dbraw/zinc/68/56/62/694685662.db2.gz CLBFVEIXEAOHGI-UHFFFAOYSA-N 1 1 318.333 0.114 20 5 DCBDMO CCOCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001571036138 1162669063 /nfs/dbraw/zinc/66/90/63/1162669063.db2.gz SFMSMORWQQMRRG-CHWSQXEVSA-N 1 1 311.382 0.613 20 5 DCBDMO CCOCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001571036138 1162669067 /nfs/dbraw/zinc/66/90/67/1162669067.db2.gz SFMSMORWQQMRRG-CHWSQXEVSA-N 1 1 311.382 0.613 20 5 DCBDMO CCOCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001571036138 1162669070 /nfs/dbraw/zinc/66/90/70/1162669070.db2.gz SFMSMORWQQMRRG-CHWSQXEVSA-N 1 1 311.382 0.613 20 5 DCBDMO Cc1[nH]nc(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001579514617 1165335029 /nfs/dbraw/zinc/33/50/29/1165335029.db2.gz SJIXTEPVSOXVIS-PHDIDXHHSA-N 1 1 307.232 0.588 20 5 DCBDMO O=[N+]([O-])c1cnc(NCC[N@@H+]2CC=CCC2)c(-c2nn[nH]n2)c1 ZINC001593485092 1167867442 /nfs/dbraw/zinc/86/74/42/1167867442.db2.gz QOZSVYIMJYCTMH-UHFFFAOYSA-N 1 1 316.325 0.844 20 5 DCBDMO C[C@H]1[C@@H](CO)CC[N@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001603834356 1169407457 /nfs/dbraw/zinc/40/74/57/1169407457.db2.gz JTOWBUVERNLOQC-VHSXEESVSA-N 1 1 318.337 0.978 20 5 DCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(O)CC1 ZINC001607076998 1170382692 /nfs/dbraw/zinc/38/26/92/1170382692.db2.gz FAFBQQWYIJNMPR-UHFFFAOYSA-N 1 1 304.310 0.732 20 5 DCBDMO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC001609278603 1170909563 /nfs/dbraw/zinc/90/95/63/1170909563.db2.gz QAXVCVYNJKUFQB-CYBMUJFWSA-N 1 1 318.337 0.978 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC001618432951 1171397077 /nfs/dbraw/zinc/39/70/77/1171397077.db2.gz GONXCCBKEKKANF-UHFFFAOYSA-N 1 1 319.325 0.172 20 5 DCBDMO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1CS(N)(=O)=O ZINC001620627257 1171405172 /nfs/dbraw/zinc/40/51/72/1171405172.db2.gz QALKZHFCVPQVEA-PWSUYJOCSA-N 1 1 313.379 0.951 20 5 DCBDMO Cc1[nH+]c2c(n1CCO)CC[C@@H](Nc1c([N+](=O)[O-])ncn1C)C2 ZINC001640110499 1171865318 /nfs/dbraw/zinc/86/53/18/1171865318.db2.gz VLBWZWVWOFGQAF-SNVBAGLBSA-N 1 1 320.353 0.795 20 5 DCBDMO CCc1n[nH]c(C(=O)NCC[NH+]2CCC(O)CC2)c1[N+](=O)[O-] ZINC001640857684 1171896533 /nfs/dbraw/zinc/89/65/33/1171896533.db2.gz QCJIHJOVPLWWRH-UHFFFAOYSA-N 1 1 311.342 0.067 20 5 DCBDMO CN(C(=O)C[NH2+][C@@H]1C(=O)NCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001644360397 1172005412 /nfs/dbraw/zinc/00/54/12/1172005412.db2.gz VJPQRMKMNLDWTM-CYBMUJFWSA-N 1 1 320.349 0.672 20 5 DCBDMO CN(C(=O)C[NH2+][C@H]1C(=O)NCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001644360398 1172006758 /nfs/dbraw/zinc/00/67/58/1172006758.db2.gz VJPQRMKMNLDWTM-ZDUSSCGKSA-N 1 1 320.349 0.672 20 5 DCBDMO C[N@@H+](CCO)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001644751217 1172020782 /nfs/dbraw/zinc/02/07/82/1172020782.db2.gz OXDQNQZOQWVKCN-UHFFFAOYSA-N 1 1 307.306 0.995 20 5 DCBDMO C[N@H+]1CC[C@H]1CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001645082127 1172027672 /nfs/dbraw/zinc/02/76/72/1172027672.db2.gz LCJFRMUPASAAOG-LBPRGKRZSA-N 1 1 321.337 0.537 20 5 DCBDMO CCCc1[nH]nc(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001647773442 1173054984 /nfs/dbraw/zinc/05/49/84/1173054984.db2.gz UIEAXJLCZVZSRL-VIFPVBQESA-N 1 1 323.353 0.473 20 5 DCBDMO CC(C)c1[nH]nc(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001647773122 1173055384 /nfs/dbraw/zinc/05/53/84/1173055384.db2.gz NZGHOZSEZCCGKD-VIFPVBQESA-N 1 1 323.353 0.644 20 5 DCBDMO C[N@H+]1C[C@@]2(C)CN(c3nccc(C(N)=O)c3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001651301468 1173746155 /nfs/dbraw/zinc/74/61/55/1173746155.db2.gz HNTOPHQAGQXNJC-GASCZTMLSA-N 1 1 319.365 0.867 20 5 DCBDMO COc1c(O)ccc(C[NH2+][C@@H](C)C(=O)NCCF)c1[N+](=O)[O-] ZINC001652296043 1173767396 /nfs/dbraw/zinc/76/73/96/1173767396.db2.gz VELROGIDNWNLNT-QMMMGPOBSA-N 1 1 315.301 0.873 20 5 DCBDMO CC(C)C[C@@H](C(N)=O)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC001654612139 1173807816 /nfs/dbraw/zinc/80/78/16/1173807816.db2.gz BMCLDVLMKHCZIJ-LBPRGKRZSA-N 1 1 310.354 0.588 20 5 DCBDMO CC(C)C[C@@H](C(N)=O)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC001654612139 1173807821 /nfs/dbraw/zinc/80/78/21/1173807821.db2.gz BMCLDVLMKHCZIJ-LBPRGKRZSA-N 1 1 310.354 0.588 20 5 DCBDMO C[C@](Cn1cccn1)([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C(N)=O ZINC001656457372 1173863871 /nfs/dbraw/zinc/86/38/71/1173863871.db2.gz XZRQQXLDQQBPDV-CQSZACIVSA-N 1 1 321.312 0.964 20 5 DCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](CCOCC3CC3)C[C@@H]2C1 ZINC001672416235 1175106814 /nfs/dbraw/zinc/10/68/14/1175106814.db2.gz GQOQSUPLBOOUBK-LXTVHRRPSA-N 1 1 323.393 0.468 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CCOCC3CC3)C[C@@H]2C1 ZINC001672416235 1175106821 /nfs/dbraw/zinc/10/68/21/1175106821.db2.gz GQOQSUPLBOOUBK-LXTVHRRPSA-N 1 1 323.393 0.468 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@H+](CCOCC3CC3)C[C@@H]2C1 ZINC001672416235 1175106823 /nfs/dbraw/zinc/10/68/23/1175106823.db2.gz GQOQSUPLBOOUBK-LXTVHRRPSA-N 1 1 323.393 0.468 20 5 DCBDMO COC(=O)NCC(=O)NCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001753043416 1185160334 /nfs/dbraw/zinc/16/03/34/1185160334.db2.gz ZCMRNQMHFJVGML-UHFFFAOYSA-N 1 1 324.337 0.499 20 5 DCBDMO COC(=O)NCC(=O)NCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001753043416 1185160336 /nfs/dbraw/zinc/16/03/36/1185160336.db2.gz ZCMRNQMHFJVGML-UHFFFAOYSA-N 1 1 324.337 0.499 20 5 DCBDMO CC(C)[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cncn1C ZINC001732008850 1185632387 /nfs/dbraw/zinc/63/23/87/1185632387.db2.gz XIJHNNQJCWXCFR-ZIAGYGMSSA-N 1 1 323.397 0.802 20 5 DCBDMO CC(C)[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cncn1C ZINC001732008850 1185632391 /nfs/dbraw/zinc/63/23/91/1185632391.db2.gz XIJHNNQJCWXCFR-ZIAGYGMSSA-N 1 1 323.397 0.802 20 5 DCBDMO CC(C)[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cncn1C ZINC001732008850 1185632394 /nfs/dbraw/zinc/63/23/94/1185632394.db2.gz XIJHNNQJCWXCFR-ZIAGYGMSSA-N 1 1 323.397 0.802 20 5 DCBDMO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1ncn[nH]1 ZINC001733256456 1186205098 /nfs/dbraw/zinc/20/50/98/1186205098.db2.gz DQWWBYJOFOFWHY-UHFFFAOYSA-N 1 1 316.321 0.765 20 5 DCBDMO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1nc[nH]n1 ZINC001733256456 1186205103 /nfs/dbraw/zinc/20/51/03/1186205103.db2.gz DQWWBYJOFOFWHY-UHFFFAOYSA-N 1 1 316.321 0.765 20 5 DCBDMO CN(CC(C)(C)C[NH2+]Cc1nncn1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001734017447 1186522336 /nfs/dbraw/zinc/52/23/36/1186522336.db2.gz MFMSZVMABFBOLO-GHMZBOCLSA-N 1 1 324.385 0.055 20 5 DCBDMO C[C@@H]1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)[C@H](C)CN1C ZINC001164636496 719258432 /nfs/dbraw/zinc/25/84/32/719258432.db2.gz TYIOLQJKBUAANP-NXEZZACHSA-N 1 1 306.370 0.600 20 5 DCBDMO COc1cc(C)nc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC001164666510 719390168 /nfs/dbraw/zinc/39/01/68/719390168.db2.gz KSJYYYDXNSITLM-JQWIXIFHSA-N 1 1 308.338 0.826 20 5 DCBDMO COc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC001164665045 719394027 /nfs/dbraw/zinc/39/40/27/719394027.db2.gz FKLBZXZUSYWPEQ-UWVGGRQHSA-N 1 1 309.326 0.221 20 5 DCBDMO C[N@@H+]1CCc2c(-n3cnc(CN)cc3=N)ccc([N+](=O)[O-])c2C1 ZINC001167362284 747134851 /nfs/dbraw/zinc/13/48/51/747134851.db2.gz SJOYOKZESBOWIO-UHFFFAOYSA-N 1 1 314.349 0.707 20 5 DCBDMO C[N@H+]1CCc2c(-n3cnc(CN)cc3=N)ccc([N+](=O)[O-])c2C1 ZINC001167362284 747134856 /nfs/dbraw/zinc/13/48/56/747134856.db2.gz SJOYOKZESBOWIO-UHFFFAOYSA-N 1 1 314.349 0.707 20 5 DCBDMO C[N@@H+]1CCc2c(N[C@@H]3CCC(=O)NC3=O)ccc([N+](=O)[O-])c2C1 ZINC001167579231 747403275 /nfs/dbraw/zinc/40/32/75/747403275.db2.gz YAEXJKAEEKAWEC-GFCCVEGCSA-N 1 1 318.333 0.800 20 5 DCBDMO C[N@H+]1CCc2c(N[C@@H]3CCC(=O)NC3=O)ccc([N+](=O)[O-])c2C1 ZINC001167579231 747403280 /nfs/dbraw/zinc/40/32/80/747403280.db2.gz YAEXJKAEEKAWEC-GFCCVEGCSA-N 1 1 318.333 0.800 20 5 DCBDMO COc1ccc(C)cc1C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126943065 750155652 /nfs/dbraw/zinc/15/56/52/750155652.db2.gz JIYMVZQUJVYHTK-CHWSQXEVSA-N 1 1 307.350 0.875 20 5 DCBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@H](O)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170334051 762612278 /nfs/dbraw/zinc/61/22/78/762612278.db2.gz AGYGMRIWDFERSY-NVBFEUDRSA-N 1 1 310.350 0.819 20 5 DCBDMO Cc1oncc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086083172 759692524 /nfs/dbraw/zinc/69/25/24/759692524.db2.gz QAAOWLDKMXRZFU-GWNIPJSYSA-N 1 1 308.338 0.633 20 5 DCBDMO O=C1NC(=O)C2(C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CC[C@@H](C[N+](=O)[O-])C2)N1 ZINC001169048962 760563662 /nfs/dbraw/zinc/56/36/62/760563662.db2.gz VQYRSPQGQXRPIM-HSYFBALKSA-N 1 1 322.365 0.637 20 5 DCBDMO CN1CC(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])=NC1=O ZINC001133335041 764929924 /nfs/dbraw/zinc/92/99/24/764929924.db2.gz ISQFBOSZKGTOPF-UHFFFAOYSA-N 1 1 319.321 0.554 20 5 DCBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001116342075 765862777 /nfs/dbraw/zinc/86/27/77/765862777.db2.gz MDLCTYPERCGVPC-NWDGAFQWSA-N 1 1 322.365 0.555 20 5 DCBDMO CCc1ocnc1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001125109553 768356278 /nfs/dbraw/zinc/35/62/78/768356278.db2.gz SVJHWNDBSDQLLG-UHFFFAOYSA-N 1 1 322.325 0.398 20 5 DCBDMO C[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@@H]1CN(C)CCN1C ZINC001120873072 767283078 /nfs/dbraw/zinc/28/30/78/767283078.db2.gz CJMGSGXKCGVPLM-MNOVXSKESA-N 1 1 319.369 0.684 20 5 DCBDMO C[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001120873072 767283081 /nfs/dbraw/zinc/28/30/81/767283081.db2.gz CJMGSGXKCGVPLM-MNOVXSKESA-N 1 1 319.369 0.684 20 5 DCBDMO C[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@@H]1CN(C)CC[N@H+]1C ZINC001120873072 767283084 /nfs/dbraw/zinc/28/30/84/767283084.db2.gz CJMGSGXKCGVPLM-MNOVXSKESA-N 1 1 319.369 0.684 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)n1 ZINC001147352420 767721865 /nfs/dbraw/zinc/72/18/65/767721865.db2.gz LLKAQUIBFHBNLY-FZMZJTMJSA-N 1 1 321.381 0.662 20 5 DCBDMO CC(C)[N@@H+](C)CC(=O)NCCNc1ncc([N+](=O)[O-])cc1F ZINC001093674003 768687996 /nfs/dbraw/zinc/68/79/96/768687996.db2.gz IKJMCYATULONSB-UHFFFAOYSA-N 1 1 313.333 0.997 20 5 DCBDMO Cn1nncc1C[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178458619 770759907 /nfs/dbraw/zinc/75/99/07/770759907.db2.gz OUTMJGYHXAXTOY-CHWSQXEVSA-N 1 1 324.385 0.247 20 5 DCBDMO C[N@@H+]1CC[C@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC001187677142 772209286 /nfs/dbraw/zinc/20/92/86/772209286.db2.gz JNRAVMINZXDELL-QMMMGPOBSA-N 1 1 300.340 0.358 20 5 DCBDMO C[N@H+]1CC[C@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC001187677142 772209288 /nfs/dbraw/zinc/20/92/88/772209288.db2.gz JNRAVMINZXDELL-QMMMGPOBSA-N 1 1 300.340 0.358 20 5 DCBDMO C[N@@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])c3c2CNC3=O)C1 ZINC001162693161 772408404 /nfs/dbraw/zinc/40/84/04/772408404.db2.gz BLRDQTOIHXRPCR-SECBINFHSA-N 1 1 306.322 0.581 20 5 DCBDMO C[N@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])c3c2CNC3=O)C1 ZINC001162693161 772408408 /nfs/dbraw/zinc/40/84/08/772408408.db2.gz BLRDQTOIHXRPCR-SECBINFHSA-N 1 1 306.322 0.581 20 5 DCBDMO CC[N@H+]1CCCN(c2nc(OC)c([N+](=O)[O-])c(OC)n2)CC1 ZINC001163773481 772569498 /nfs/dbraw/zinc/56/94/98/772569498.db2.gz CYPQEJTUKZUIDK-UHFFFAOYSA-N 1 1 311.342 0.934 20 5 DCBDMO Nc1nc(N[C@H]2CCC[N@H+]3CCSC[C@@H]23)ncc1[N+](=O)[O-] ZINC001164124251 772614236 /nfs/dbraw/zinc/61/42/36/772614236.db2.gz GUKIZXQROBOBSA-WPRPVWTQSA-N 1 1 310.383 0.959 20 5 DCBDMO COC(=O)c1cnc(N2CCC(F)(F)[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001164319905 772646149 /nfs/dbraw/zinc/64/61/49/772646149.db2.gz SLZRODADIDUUNP-VIFPVBQESA-N 1 1 316.264 0.949 20 5 DCBDMO NC(=O)[C@@H]1CN(c2ccc3cccc([N+](=O)[O-])c3n2)CC[NH2+]1 ZINC001166725769 772851738 /nfs/dbraw/zinc/85/17/38/772851738.db2.gz SRURVVJZQNGGAN-JTQLQIEISA-N 1 1 301.306 0.407 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)c1 ZINC001196083389 773536893 /nfs/dbraw/zinc/53/68/93/773536893.db2.gz MHXPOGXMYKCXEO-WVWOOGAGSA-N 1 1 310.354 0.245 20 5 DCBDMO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001227745798 776004230 /nfs/dbraw/zinc/00/42/30/776004230.db2.gz OKPGWNKZXWADMV-SNVBAGLBSA-N 1 1 323.329 0.834 20 5 DCBDMO Cn1ncc(C(=O)NCC[N@H+](C)Cc2cccc([N+](=O)[O-])c2)n1 ZINC001267221488 939392479 /nfs/dbraw/zinc/39/24/79/939392479.db2.gz KQDJAPWUMKRONP-UHFFFAOYSA-N 1 1 318.337 0.585 20 5 DCBDMO Cn1ncc(C(=O)NCC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)n1 ZINC001267221488 939392482 /nfs/dbraw/zinc/39/24/82/939392482.db2.gz KQDJAPWUMKRONP-UHFFFAOYSA-N 1 1 318.337 0.585 20 5 DCBDMO C[N@H+]1CCC[C@H](CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001319375870 945571472 /nfs/dbraw/zinc/57/14/72/945571472.db2.gz LLMZBBCMVUCXSA-LLVKDONJSA-N 1 1 308.338 0.215 20 5 DCBDMO O=C1CC[NH2+]C[C@H]1c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001249187674 945624730 /nfs/dbraw/zinc/62/47/30/945624730.db2.gz SHQYTALXYZJIGT-SSDOTTSWSA-N 1 1 307.241 0.825 20 5 DCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC001322625632 946751189 /nfs/dbraw/zinc/75/11/89/946751189.db2.gz HYICWISVENWIJG-UHFFFAOYSA-N 1 1 324.385 0.084 20 5 DCBDMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCc1ccccc1[N+](=O)[O-] ZINC001263709189 948737084 /nfs/dbraw/zinc/73/70/84/948737084.db2.gz KGHPQTJQZMDIGY-FZMZJTMJSA-N 1 1 304.350 0.599 20 5 DCBDMO COCC[NH+](CCOC)C1CN(c2ncccc2[N+](=O)[O-])C1 ZINC001329387702 949548752 /nfs/dbraw/zinc/54/87/52/949548752.db2.gz LIROJMWNAYROIO-UHFFFAOYSA-N 1 1 310.354 0.773 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2C[C@@H]([NH+]3CCCC3)C2)c1 ZINC001357240608 957236956 /nfs/dbraw/zinc/23/69/56/957236956.db2.gz BXXUXCJKNJWYAG-SCRDCRAPSA-N 1 1 309.370 0.369 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)n1 ZINC001296814559 958053699 /nfs/dbraw/zinc/05/36/99/958053699.db2.gz QHPIFQMDZIATRP-NWDGAFQWSA-N 1 1 322.365 0.825 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)n1 ZINC001296814559 958053711 /nfs/dbraw/zinc/05/37/11/958053711.db2.gz QHPIFQMDZIATRP-NWDGAFQWSA-N 1 1 322.365 0.825 20 5 DCBDMO Cc1ccc(NC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)c(N)c1[N+](=O)[O-] ZINC001304496938 960087677 /nfs/dbraw/zinc/08/76/77/960087677.db2.gz DYHNNAMOHIVKKW-OTYXRUKQSA-N 1 1 308.338 0.879 20 5 DCBDMO Cc1ccc(NC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)c(N)c1[N+](=O)[O-] ZINC001304496938 960087688 /nfs/dbraw/zinc/08/76/88/960087688.db2.gz DYHNNAMOHIVKKW-OTYXRUKQSA-N 1 1 308.338 0.879 20 5 DCBDMO CC[N@H+]1CC[C@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC001559265402 1012412916 /nfs/dbraw/zinc/41/29/16/1012412916.db2.gz OGMRMZQVIWIYRH-VIFPVBQESA-N 1 1 314.367 0.748 20 5 DCBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@H](O)C3(O)CCC3)C2)nc1 ZINC001459701279 1012819791 /nfs/dbraw/zinc/81/97/91/1012819791.db2.gz SRMTZGMPASOMDQ-AAEUAGOBSA-N 1 1 322.365 0.752 20 5 DCBDMO Cn1nccc1[C@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001460848218 1012976769 /nfs/dbraw/zinc/97/67/69/1012976769.db2.gz WVYQCYBMTGUZJQ-GXTWGEPZSA-N 1 1 320.353 0.723 20 5 DCBDMO COC(=O)[C@]1(C)CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090552372 185302949 /nfs/dbraw/zinc/30/29/49/185302949.db2.gz VQOIQCWUYLVJBI-CQSZACIVSA-N 1 1 309.322 0.642 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCCC[NH+]2CCOCC2)n1 ZINC000286890657 219212672 /nfs/dbraw/zinc/21/26/72/219212672.db2.gz JBAAKMKALXUQKY-UHFFFAOYSA-N 1 1 324.337 0.911 20 5 DCBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174501272 198343154 /nfs/dbraw/zinc/34/31/54/198343154.db2.gz YYLKCWRNRKXQST-LBPRGKRZSA-N 1 1 309.370 0.982 20 5 DCBDMO C[N@H+](CCNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000316698484 291254610 /nfs/dbraw/zinc/25/46/10/291254610.db2.gz PLSKCOMDKPQRKQ-AWEZNQCLSA-N 1 1 311.386 0.616 20 5 DCBDMO C[N@@H+](CCNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000316698484 291254611 /nfs/dbraw/zinc/25/46/11/291254611.db2.gz PLSKCOMDKPQRKQ-AWEZNQCLSA-N 1 1 311.386 0.616 20 5 DCBDMO C[C@@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000420419735 240025312 /nfs/dbraw/zinc/02/53/12/240025312.db2.gz JJCKHPBYOIGIFD-LLVKDONJSA-N 1 1 313.379 0.761 20 5 DCBDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H](C)C1 ZINC000346154017 254016083 /nfs/dbraw/zinc/01/60/83/254016083.db2.gz ILBAIENOAIZIOQ-RWMBFGLXSA-N 1 1 321.381 0.980 20 5 DCBDMO C[C@@H](CO)[N@H+]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000346641136 254077251 /nfs/dbraw/zinc/07/72/51/254077251.db2.gz LCHYRTICGYUUOT-ZDUSSCGKSA-N 1 1 324.381 0.145 20 5 DCBDMO COC(=O)C1(O)CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000271447000 208920168 /nfs/dbraw/zinc/92/01/68/208920168.db2.gz RSATZRKNGIMWLX-ZDUSSCGKSA-N 1 1 324.333 0.628 20 5 DCBDMO COC(=O)CC[N@@H+]1CCN(c2ncc([N+](=O)[O-])c(C)n2)[C@@H](C)C1 ZINC000294824223 533428140 /nfs/dbraw/zinc/42/81/40/533428140.db2.gz ACSODXHSEURZKL-JTQLQIEISA-N 1 1 323.353 0.767 20 5 DCBDMO COC(=O)CC[N@H+]1CCN(c2ncc([N+](=O)[O-])c(C)n2)[C@@H](C)C1 ZINC000294824223 533428143 /nfs/dbraw/zinc/42/81/43/533428143.db2.gz ACSODXHSEURZKL-JTQLQIEISA-N 1 1 323.353 0.767 20 5 DCBDMO NC(=O)c1cc([N+](=O)[O-])cn(Cc2cn3ccccc3[nH+]2)c1=O ZINC000031813210 395708488 /nfs/dbraw/zinc/70/84/88/395708488.db2.gz GVTBOLCFMMUAGS-UHFFFAOYSA-N 1 1 313.273 0.551 20 5 DCBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCO)CC1 ZINC000031946041 395709055 /nfs/dbraw/zinc/70/90/55/395709055.db2.gz SGRFZRPSWNPNSP-ZZXKWVIFSA-N 1 1 305.334 0.745 20 5 DCBDMO C[C@@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000089307111 395710093 /nfs/dbraw/zinc/71/00/93/395710093.db2.gz ZSBDTGZAXXDNEC-ZDUSSCGKSA-N 1 1 320.393 0.889 20 5 DCBDMO C[N@H+]1CCC[C@@H]1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000194724838 395805686 /nfs/dbraw/zinc/80/56/86/395805686.db2.gz LEYXXZICRYHXMC-CYBMUJFWSA-N 1 1 320.349 0.535 20 5 DCBDMO C[NH+]1CCN(CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000274580612 395959606 /nfs/dbraw/zinc/95/96/06/395959606.db2.gz HAECYPKHVDFDJC-UHFFFAOYSA-N 1 1 308.338 0.278 20 5 DCBDMO C[C@H]1C[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C[N@H+]1C1CC1 ZINC000151323106 395983796 /nfs/dbraw/zinc/98/37/96/395983796.db2.gz KHPYNHOYUWJOQD-WDEREUQCSA-N 1 1 322.369 0.716 20 5 DCBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000153872165 396027279 /nfs/dbraw/zinc/02/72/79/396027279.db2.gz KSBDLGFAZUXNRK-CYBMUJFWSA-N 1 1 309.370 0.980 20 5 DCBDMO COCC[N@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000155496621 396052659 /nfs/dbraw/zinc/05/26/59/396052659.db2.gz CPXOVFWXDZCXRK-UHFFFAOYSA-N 1 1 317.367 0.451 20 5 DCBDMO COCC[N@@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000155496621 396052661 /nfs/dbraw/zinc/05/26/61/396052661.db2.gz CPXOVFWXDZCXRK-UHFFFAOYSA-N 1 1 317.367 0.451 20 5 DCBDMO C[C@H](O)C[N@H+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000249122841 396002757 /nfs/dbraw/zinc/00/27/57/396002757.db2.gz ZPHNVGWSRXTIKF-STQMWFEESA-N 1 1 324.381 0.143 20 5 DCBDMO CC[N@@H+](C)CCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000073094186 396141446 /nfs/dbraw/zinc/14/14/46/396141446.db2.gz NXEVURUCGYSAAM-UHFFFAOYSA-N 1 1 323.349 0.976 20 5 DCBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3cnccn3)CC2)n1 ZINC000176205473 396151581 /nfs/dbraw/zinc/15/15/81/396151581.db2.gz ZHNOEJOVMHUEQQ-UHFFFAOYSA-N 1 1 303.326 0.404 20 5 DCBDMO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176243863 396152995 /nfs/dbraw/zinc/15/29/95/396152995.db2.gz AGUUZRXGUJYYQD-ZJUUUORDSA-N 1 1 304.372 0.545 20 5 DCBDMO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176243863 396152996 /nfs/dbraw/zinc/15/29/96/396152996.db2.gz AGUUZRXGUJYYQD-ZJUUUORDSA-N 1 1 304.372 0.545 20 5 DCBDMO CCN1CC[NH+](C[C@H](C)CNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000076921896 396209921 /nfs/dbraw/zinc/20/99/21/396209921.db2.gz FLIMCFGOQGRVGX-LLVKDONJSA-N 1 1 323.401 0.653 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000073997155 396154966 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320.349 0.357 20 5 DCBDMO C[C@@H](O)C[NH+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000186816978 396358726 /nfs/dbraw/zinc/35/87/26/396358726.db2.gz YZDBYJYJKAGCBD-GFCCVEGCSA-N 1 1 323.349 0.499 20 5 DCBDMO Cc1[nH+]ccn1CCNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000269025864 396381630 /nfs/dbraw/zinc/38/16/30/396381630.db2.gz HDRYJRVCLSIWBY-UHFFFAOYSA-N 1 1 307.314 0.296 20 5 DCBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000269047693 396382958 /nfs/dbraw/zinc/38/29/58/396382958.db2.gz PFOBWPLDRNJFGF-GXFFZTMASA-N 1 1 322.369 0.573 20 5 DCBDMO O=C1NC(=O)[C@@]2(CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)N1 ZINC000192637931 396433775 /nfs/dbraw/zinc/43/37/75/396433775.db2.gz JSIMWHKQFKKAKV-AWEZNQCLSA-N 1 1 304.306 0.769 20 5 DCBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000291551932 396498167 /nfs/dbraw/zinc/49/81/67/396498167.db2.gz MWMXKBKQGFDUOI-GFCCVEGCSA-N 1 1 324.381 0.993 20 5 DCBDMO Cc1noc(C[NH+]2CCC3(CNC(=O)N3C)CC2)c1[N+](=O)[O-] ZINC000595553794 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ZINC000051102465 158012825 /nfs/dbraw/zinc/01/28/25/158012825.db2.gz STEIVEOAXANRSF-CYBMUJFWSA-N 1 1 309.322 0.550 20 5 DCBDMO NC(=O)[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000051102465 158012830 /nfs/dbraw/zinc/01/28/30/158012830.db2.gz STEIVEOAXANRSF-CYBMUJFWSA-N 1 1 309.322 0.550 20 5 DCBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)CN1CC[NH+](C)CC1 ZINC000330534582 159187740 /nfs/dbraw/zinc/18/77/40/159187740.db2.gz INMFKRLBTUCPDS-LBPRGKRZSA-N 1 1 323.397 0.547 20 5 DCBDMO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000368050085 159372124 /nfs/dbraw/zinc/37/21/24/159372124.db2.gz YPOHUGKVNFLIHK-QWRGUYRKSA-N 1 1 320.349 0.770 20 5 DCBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC[C@H]21 ZINC000408350114 160089821 /nfs/dbraw/zinc/08/98/21/160089821.db2.gz XYBLTODZLJDTKB-GHMZBOCLSA-N 1 1 308.342 0.129 20 5 DCBDMO COCC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@@H]1C ZINC000357054636 287203207 /nfs/dbraw/zinc/20/32/07/287203207.db2.gz UPJJYKYYPSVCIL-JTQLQIEISA-N 1 1 311.342 0.121 20 5 DCBDMO COCC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@@H]1C ZINC000357054636 287203209 /nfs/dbraw/zinc/20/32/09/287203209.db2.gz UPJJYKYYPSVCIL-JTQLQIEISA-N 1 1 311.342 0.121 20 5 DCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCC(N)=O ZINC000286499942 415629811 /nfs/dbraw/zinc/62/98/11/415629811.db2.gz POHAYZVJUXQDKH-UHFFFAOYSA-N 1 1 310.310 0.349 20 5 DCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCC(N)=O ZINC000286499942 415629819 /nfs/dbraw/zinc/62/98/19/415629819.db2.gz POHAYZVJUXQDKH-UHFFFAOYSA-N 1 1 310.310 0.349 20 5 DCBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1CC[NH2+]CC1(F)F ZINC000343875715 415763415 /nfs/dbraw/zinc/76/34/15/415763415.db2.gz NWDZFIOVXXWJEC-SECBINFHSA-N 1 1 303.269 0.152 20 5 DCBDMO CN(C)CC[N@@H+](C)CCCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000290378948 415798118 /nfs/dbraw/zinc/79/81/18/415798118.db2.gz BZLAPFZGFVKOLZ-UHFFFAOYSA-N 1 1 323.397 0.790 20 5 DCBDMO CN(CCCNC(=O)c1cccc([N+](=O)[O-])c1N)CC[NH+](C)C ZINC000290378948 415798122 /nfs/dbraw/zinc/79/81/22/415798122.db2.gz BZLAPFZGFVKOLZ-UHFFFAOYSA-N 1 1 323.397 0.790 20 5 DCBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCOCCO ZINC000337489169 415968039 /nfs/dbraw/zinc/96/80/39/415968039.db2.gz LGMCHXBBEFZTRS-LLVKDONJSA-N 1 1 311.338 0.863 20 5 DCBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCOCCO ZINC000337489169 415968041 /nfs/dbraw/zinc/96/80/41/415968041.db2.gz LGMCHXBBEFZTRS-LLVKDONJSA-N 1 1 311.338 0.863 20 5 DCBDMO CC[N@H+]1CCC[C@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000153037527 415974801 /nfs/dbraw/zinc/97/48/01/415974801.db2.gz UUBSYFPBWQZHHV-NSHDSACASA-N 1 1 310.358 0.575 20 5 DCBDMO CC[N@H+]1CCC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000338079094 416042799 /nfs/dbraw/zinc/04/27/99/416042799.db2.gz JSEFCZUWRITWDS-LBPRGKRZSA-N 1 1 322.365 0.605 20 5 DCBDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2c2ncccc2[N+](=O)[O-])CC1 ZINC000301305511 416079758 /nfs/dbraw/zinc/07/97/58/416079758.db2.gz ZRFCVPZWVFPSGD-CYBMUJFWSA-N 1 1 319.365 0.733 20 5 DCBDMO Cc1nn(C)c(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000299147560 416055106 /nfs/dbraw/zinc/05/51/06/416055106.db2.gz JXKAQWNDYFPYMR-WDEREUQCSA-N 1 1 307.354 0.993 20 5 DCBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC(N)=O ZINC000298467891 416009254 /nfs/dbraw/zinc/00/92/54/416009254.db2.gz IODDAHMOJHCXGZ-UHFFFAOYSA-N 1 1 324.337 0.739 20 5 DCBDMO CNC(=O)CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000170791873 416032556 /nfs/dbraw/zinc/03/25/56/416032556.db2.gz RIWRXDOIJOKIJI-SNVBAGLBSA-N 1 1 308.338 0.990 20 5 DCBDMO C[N@@H+](CCCO)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176246279 416121346 /nfs/dbraw/zinc/12/13/46/416121346.db2.gz MZBFEAVHXPSGDB-UHFFFAOYSA-N 1 1 311.386 0.570 20 5 DCBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](CN3CCOCC3)C2)n1 ZINC000176240515 416122530 /nfs/dbraw/zinc/12/25/30/416122530.db2.gz HBIRPULHEXHXID-AWEZNQCLSA-N 1 1 323.397 0.836 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000358039550 416174439 /nfs/dbraw/zinc/17/44/39/416174439.db2.gz CLFCRJXIZQEPQZ-ZDUSSCGKSA-N 1 1 312.301 0.113 20 5 DCBDMO COc1cc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000358059550 416183958 /nfs/dbraw/zinc/18/39/58/416183958.db2.gz RRONHFFVRVOIJL-AWEZNQCLSA-N 1 1 309.322 0.400 20 5 DCBDMO C[N@H+]1CC[C@@](O)(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000358140920 416201394 /nfs/dbraw/zinc/20/13/94/416201394.db2.gz PHVWSHXXCZHQSZ-CYBMUJFWSA-N 1 1 312.301 0.922 20 5 DCBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000189447534 416266322 /nfs/dbraw/zinc/26/63/22/416266322.db2.gz OEXQTXIMGSBAIQ-UHFFFAOYSA-N 1 1 309.326 0.024 20 5 DCBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCCOCC1 ZINC000189447534 416266325 /nfs/dbraw/zinc/26/63/25/416266325.db2.gz OEXQTXIMGSBAIQ-UHFFFAOYSA-N 1 1 309.326 0.024 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000342046825 416272829 /nfs/dbraw/zinc/27/28/29/416272829.db2.gz KOIJAQILIDXZOS-HZSPNIEDSA-N 1 1 310.354 0.796 20 5 DCBDMO Cn1c(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000359459782 416346774 /nfs/dbraw/zinc/34/67/74/416346774.db2.gz MGIJHPZWLFIOLS-GFCCVEGCSA-N 1 1 322.365 0.728 20 5 DCBDMO Cc1cc(OCC(=O)NC[C@]2(O)CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000435819066 416538485 /nfs/dbraw/zinc/53/84/85/416538485.db2.gz PAPFPTXHGMHZPS-OAHLLOKOSA-N 1 1 323.349 0.465 20 5 DCBDMO CCC[N@H+]1CC[C@H](NC(=O)c2ccnc(NC)c2[N+](=O)[O-])C1 ZINC000598341890 416602208 /nfs/dbraw/zinc/60/22/08/416602208.db2.gz HVAHZFMLYMUGRS-JTQLQIEISA-N 1 1 307.354 1.246 20 5 DCBDMO Nc1nc(NC[C@@H]2CC[N@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000596559144 416584952 /nfs/dbraw/zinc/58/49/52/416584952.db2.gz XHBYOKZLOJAKBV-LBPRGKRZSA-N 1 1 314.349 1.075 20 5 DCBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])cnc3N)[C@@H]2C1 ZINC000425063711 416682257 /nfs/dbraw/zinc/68/22/57/416682257.db2.gz GBGGYMUHSMPXKU-JOYOIKCWSA-N 1 1 305.338 0.738 20 5 DCBDMO [NH3+]Cc1cn([C@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)C2)nn1 ZINC000521252239 416999181 /nfs/dbraw/zinc/99/91/81/416999181.db2.gz DDIXRUJZBQODDI-LBPRGKRZSA-N 1 1 320.357 0.179 20 5 DCBDMO CO[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000451748619 417390513 /nfs/dbraw/zinc/39/05/13/417390513.db2.gz JFQDDJHDYINYOF-IACUBPJLSA-N 1 1 312.322 0.026 20 5 DCBDMO Cn1c(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000452353244 417470564 /nfs/dbraw/zinc/47/05/64/417470564.db2.gz UCXUCLKISWCSEQ-NSHDSACASA-N 1 1 310.354 0.510 20 5 DCBDMO COCC[NH+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000439097116 287381040 /nfs/dbraw/zinc/38/10/40/287381040.db2.gz LAWPHWKMKCORFC-UHFFFAOYSA-N 1 1 308.338 0.462 20 5 DCBDMO CC[N@@H+](C)C[C@H](O)CN1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000576766910 417634481 /nfs/dbraw/zinc/63/44/81/417634481.db2.gz AOPGJCNOBJHVMK-ZDUSSCGKSA-N 1 1 309.366 0.970 20 5 DCBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000578950035 417688981 /nfs/dbraw/zinc/68/89/81/417688981.db2.gz PPQQGCBFIGTJPB-KCJUWKMLSA-N 1 1 305.338 0.785 20 5 DCBDMO CNc1nccc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000579255322 417689385 /nfs/dbraw/zinc/68/93/85/417689385.db2.gz BRIFVTSMJPMIME-PWSUYJOCSA-N 1 1 321.381 1.444 20 5 DCBDMO CNc1nccc(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000577864906 417680962 /nfs/dbraw/zinc/68/09/62/417680962.db2.gz YFGMULIGMGWEJJ-HNNXBMFYSA-N 1 1 319.365 1.199 20 5 DCBDMO CN1CCC[C@H](C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304321524 261173694 /nfs/dbraw/zinc/17/36/94/261173694.db2.gz QMYFTYLABOJWKZ-GXTWGEPZSA-N 1 1 311.386 0.426 20 5 DCBDMO CN1CCC[C@H](C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304321524 261173697 /nfs/dbraw/zinc/17/36/97/261173697.db2.gz QMYFTYLABOJWKZ-GXTWGEPZSA-N 1 1 311.386 0.426 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000362135772 262003341 /nfs/dbraw/zinc/00/33/41/262003341.db2.gz JNNJSXZVPUFHIY-NSHDSACASA-N 1 1 305.342 0.832 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000362135772 262003343 /nfs/dbraw/zinc/00/33/43/262003343.db2.gz JNNJSXZVPUFHIY-NSHDSACASA-N 1 1 305.342 0.832 20 5 DCBDMO CC[C@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1N1CCOCC1 ZINC000363447868 271188460 /nfs/dbraw/zinc/18/84/60/271188460.db2.gz CZLMZSJHGDMGRW-STQMWFEESA-N 1 1 323.397 0.871 20 5 DCBDMO CC[C@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1N1CCOCC1 ZINC000363447868 271188462 /nfs/dbraw/zinc/18/84/62/271188462.db2.gz CZLMZSJHGDMGRW-STQMWFEESA-N 1 1 323.397 0.871 20 5 DCBDMO CC[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1[NH+]1CCOCC1 ZINC000363447868 271188464 /nfs/dbraw/zinc/18/84/64/271188464.db2.gz CZLMZSJHGDMGRW-STQMWFEESA-N 1 1 323.397 0.871 20 5 DCBDMO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000420010071 271350601 /nfs/dbraw/zinc/35/06/01/271350601.db2.gz GILSLNWUDIZFIT-AWEZNQCLSA-N 1 1 311.338 0.733 20 5 DCBDMO C[N@H+]1CC[C@@](O)(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000492557673 272135368 /nfs/dbraw/zinc/13/53/68/272135368.db2.gz DBGKVTULNMSUIN-NFBGWVBBSA-N 1 1 305.334 0.791 20 5 DCBDMO O=C1OCCN1C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000495910887 272281749 /nfs/dbraw/zinc/28/17/49/272281749.db2.gz BZZBRJLLRJRUKM-NSHDSACASA-N 1 1 309.326 0.565 20 5 DCBDMO CNC(=O)c1ccc(N2CC[NH+](C[C@@H](C)O)CC2)c([N+](=O)[O-])c1 ZINC000275876877 277017441 /nfs/dbraw/zinc/01/74/41/277017441.db2.gz WHANWZWHZXAWSC-LLVKDONJSA-N 1 1 322.365 0.457 20 5 DCBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000157303687 277182350 /nfs/dbraw/zinc/18/23/50/277182350.db2.gz CGIIPCOTCIJTRW-NEPJUHHUSA-N 1 1 307.354 0.734 20 5 DCBDMO CCN1CC[NH+](C[C@H](C)CNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000547764225 288076724 /nfs/dbraw/zinc/07/67/24/288076724.db2.gz JALAMVPPVQDYNX-LLVKDONJSA-N 1 1 324.385 0.321 20 5 DCBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000548050786 288106180 /nfs/dbraw/zinc/10/61/80/288106180.db2.gz BEBBAIHCFPPHKW-LLVKDONJSA-N 1 1 324.381 0.851 20 5 DCBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1c[nH]nc1[N+](=O)[O-] ZINC000548950548 288188559 /nfs/dbraw/zinc/18/85/59/288188559.db2.gz FJECSWFZGQDPFF-SNVBAGLBSA-N 1 1 311.342 0.285 20 5 DCBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000331022759 533913199 /nfs/dbraw/zinc/91/31/99/533913199.db2.gz ZMWBPZQFBDYPNB-LLVKDONJSA-N 1 1 309.370 0.679 20 5 DCBDMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000188561020 523934146 /nfs/dbraw/zinc/93/41/46/523934146.db2.gz XYUASHKIKRKNIJ-CQSZACIVSA-N 1 1 321.333 0.515 20 5 DCBDMO C[N@H+]1CCO[C@@H](C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000188561020 523934151 /nfs/dbraw/zinc/93/41/51/523934151.db2.gz XYUASHKIKRKNIJ-CQSZACIVSA-N 1 1 321.333 0.515 20 5 DCBDMO Cn1cc[nH+]c1N1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000331857991 534791860 /nfs/dbraw/zinc/79/18/60/534791860.db2.gz BYCRSPYFJAEZCZ-UHFFFAOYSA-N 1 1 319.325 0.024 20 5 DCBDMO Cc1[nH+]ccn1CCCCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000265972240 527402058 /nfs/dbraw/zinc/40/20/58/527402058.db2.gz LELQNZSOYXFCOM-UHFFFAOYSA-N 1 1 306.326 0.893 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](CCO)Cc2cccnc2)c1 ZINC000156796991 527415993 /nfs/dbraw/zinc/41/59/93/527415993.db2.gz FOFKXHSEOVBVTK-AWEZNQCLSA-N 1 1 321.337 0.042 20 5 DCBDMO Cn1cc(CC[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC000981137115 661084882 /nfs/dbraw/zinc/08/48/82/661084882.db2.gz NFYLVTZVIULHJZ-ZIAGYGMSSA-N 1 1 321.381 0.162 20 5 DCBDMO Cn1cc(CC[N@@H+]2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC000981137115 661084885 /nfs/dbraw/zinc/08/48/85/661084885.db2.gz NFYLVTZVIULHJZ-ZIAGYGMSSA-N 1 1 321.381 0.162 20 5 DCBDMO Cn1cc(CC[N@H+]2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC000981137115 661084887 /nfs/dbraw/zinc/08/48/87/661084887.db2.gz NFYLVTZVIULHJZ-ZIAGYGMSSA-N 1 1 321.381 0.162 20 5 DCBDMO Cc1noc(CN2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC000934271274 658264873 /nfs/dbraw/zinc/26/48/73/658264873.db2.gz GFEPIFBPIWPTSO-NEPJUHHUSA-N 1 1 310.354 0.922 20 5 DCBDMO CCc1nocc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001022063699 658815691 /nfs/dbraw/zinc/81/56/91/658815691.db2.gz HYDWDRMSCGZYLU-LSCVPOLPSA-N 1 1 308.338 0.639 20 5 DCBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@H]1C[NH2+]CCO1 ZINC000261668299 661375370 /nfs/dbraw/zinc/37/53/70/661375370.db2.gz LCIDLFJVFAFMQJ-MRVPVSSYSA-N 1 1 319.314 0.001 20 5 DCBDMO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cncs2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983657153 662002075 /nfs/dbraw/zinc/00/20/75/662002075.db2.gz IKAYCIJOCBHBHP-CNVPUSNMSA-N 1 1 310.379 0.793 20 5 DCBDMO Cn1cc(C[N@@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC001000672601 665914152 /nfs/dbraw/zinc/91/41/52/665914152.db2.gz YJVKIWFYSAOJDG-ZIAGYGMSSA-N 1 1 319.365 0.334 20 5 DCBDMO O=C1N[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C(=O)N1CC[N+](=O)[O-] ZINC000899880851 663196998 /nfs/dbraw/zinc/19/69/98/663196998.db2.gz AWZIQHNZJAZQGS-OAHLLOKOSA-N 1 1 318.333 0.460 20 5 DCBDMO C[N@@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000913552076 664353361 /nfs/dbraw/zinc/35/33/61/664353361.db2.gz FGZIFLFDKNOKCS-LLVKDONJSA-N 1 1 308.338 0.142 20 5 DCBDMO C[N@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000913552076 664353364 /nfs/dbraw/zinc/35/33/64/664353364.db2.gz FGZIFLFDKNOKCS-LLVKDONJSA-N 1 1 308.338 0.142 20 5 DCBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000863834324 667188754 /nfs/dbraw/zinc/18/87/54/667188754.db2.gz HFJSXCCQYCSQQO-JTQLQIEISA-N 1 1 311.313 0.839 20 5 DCBDMO COCC[NH+]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865422674 667324485 /nfs/dbraw/zinc/32/44/85/667324485.db2.gz SDJBBSALRZVNCM-UHFFFAOYSA-N 1 1 313.329 0.995 20 5 DCBDMO C[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000134982763 667561010 /nfs/dbraw/zinc/56/10/10/667561010.db2.gz USNGGAWJHKBLRJ-TVQRCGJNSA-N 1 1 308.338 0.626 20 5 DCBDMO C[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000134982763 667561012 /nfs/dbraw/zinc/56/10/12/667561012.db2.gz USNGGAWJHKBLRJ-TVQRCGJNSA-N 1 1 308.338 0.626 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000868422570 667570903 /nfs/dbraw/zinc/57/09/03/667570903.db2.gz SVSIYQZOCWUVNA-DGCLKSJQSA-N 1 1 322.369 0.527 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCc3ccccc3C2)n1 ZINC000871986138 667862789 /nfs/dbraw/zinc/86/27/89/667862789.db2.gz CVJDNGCPVMOTOG-CYBMUJFWSA-N 1 1 303.322 0.606 20 5 DCBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCN3CCOC[C@H]3C2)cc1 ZINC000755207587 668058011 /nfs/dbraw/zinc/05/80/11/668058011.db2.gz ITUVLZFTPPBMKU-HUUCEWRRSA-N 1 1 307.350 0.645 20 5 DCBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCN3CCOC[C@H]3C2)cc1 ZINC000755207587 668058013 /nfs/dbraw/zinc/05/80/13/668058013.db2.gz ITUVLZFTPPBMKU-HUUCEWRRSA-N 1 1 307.350 0.645 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000839704024 668135651 /nfs/dbraw/zinc/13/56/51/668135651.db2.gz RXNMVGKJINTETD-BFHYXJOUSA-N 1 1 311.382 0.755 20 5 DCBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000874837027 668224991 /nfs/dbraw/zinc/22/49/91/668224991.db2.gz GADRMWZXBDZXFM-STQMWFEESA-N 1 1 320.349 0.452 20 5 DCBDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000126518519 668616409 /nfs/dbraw/zinc/61/64/09/668616409.db2.gz JBPZMJRHNOCHIJ-VIFPVBQESA-N 1 1 317.342 0.964 20 5 DCBDMO Cc1cccc(NCCNC(=O)c2nn(C)cc2[N+](=O)[O-])[nH+]1 ZINC000772917183 668788843 /nfs/dbraw/zinc/78/88/43/668788843.db2.gz QSYNGJVOHMDNHK-UHFFFAOYSA-N 1 1 304.310 0.874 20 5 DCBDMO C[C@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000778356411 668898432 /nfs/dbraw/zinc/89/84/32/668898432.db2.gz NLYUMSWQIBKVRF-WFASDCNBSA-N 1 1 309.366 0.627 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000878917219 668950807 /nfs/dbraw/zinc/95/08/07/668950807.db2.gz DOTQZTNXKBVNNA-LLVKDONJSA-N 1 1 309.326 0.626 20 5 DCBDMO C[C@@H]([NH2+]CC[N+](=O)[O-])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000930213195 668977729 /nfs/dbraw/zinc/97/77/29/668977729.db2.gz KZVOADLXMZEHMY-SNVBAGLBSA-N 1 1 301.368 0.864 20 5 DCBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)C[C@]1(O)CCOC1 ZINC000930353367 669000360 /nfs/dbraw/zinc/00/03/60/669000360.db2.gz JGICEFKNMRRUTE-HZPDHXFCSA-N 1 1 324.377 0.972 20 5 DCBDMO CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)CC[N+](=O)[O-])CC1 ZINC000930496244 669030064 /nfs/dbraw/zinc/03/00/64/669030064.db2.gz ARMSCTQFBHBUEJ-LLVKDONJSA-N 1 1 307.416 0.645 20 5 DCBDMO CC[N@H+]1CCC[C@@H](CNC(=O)Cn2c(C)ncc2[N+](=O)[O-])C1 ZINC000931125434 669137575 /nfs/dbraw/zinc/13/75/75/669137575.db2.gz HXQXBZIEJAXWLA-LBPRGKRZSA-N 1 1 309.370 0.948 20 5 DCBDMO CC(C)(CO)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000787154145 669353784 /nfs/dbraw/zinc/35/37/84/669353784.db2.gz GEDDJJLZVIOMKK-UHFFFAOYSA-N 1 1 322.365 0.706 20 5 DCBDMO O=[N+]([O-])c1ccn(CCN2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)n1 ZINC000934265118 669588455 /nfs/dbraw/zinc/58/84/55/669588455.db2.gz XIECKKBJPMJNSA-STQMWFEESA-N 1 1 309.370 0.322 20 5 DCBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H]3[C@@H]2CCCN3CCO)n1 ZINC000934265118 669588458 /nfs/dbraw/zinc/58/84/58/669588458.db2.gz XIECKKBJPMJNSA-STQMWFEESA-N 1 1 309.370 0.322 20 5 DCBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H]3[C@@H]2CCCN3CCO)n1 ZINC000934265118 669588461 /nfs/dbraw/zinc/58/84/61/669588461.db2.gz XIECKKBJPMJNSA-STQMWFEESA-N 1 1 309.370 0.322 20 5 DCBDMO CN1C(=O)CN(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000800865782 670102892 /nfs/dbraw/zinc/10/28/92/670102892.db2.gz JWVAYIHODMEIMQ-UHFFFAOYSA-N 1 1 306.322 0.921 20 5 DCBDMO CN1C(=O)CN(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000800865782 670102895 /nfs/dbraw/zinc/10/28/95/670102895.db2.gz JWVAYIHODMEIMQ-UHFFFAOYSA-N 1 1 306.322 0.921 20 5 DCBDMO CNc1nccc(C(=O)OCCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000848792240 670728521 /nfs/dbraw/zinc/72/85/21/670728521.db2.gz YFRVVBYSEQUTBK-UHFFFAOYSA-N 1 1 324.337 0.911 20 5 DCBDMO Nc1ccc(NC(=O)N2CC[NH+](CCO)CC2)cc1[N+](=O)[O-] ZINC000823979811 671414922 /nfs/dbraw/zinc/41/49/22/671414922.db2.gz DGWRQRNNZAVCLU-UHFFFAOYSA-N 1 1 309.326 0.319 20 5 DCBDMO C[N@@H+](CCO)CCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000829750682 671587388 /nfs/dbraw/zinc/58/73/88/671587388.db2.gz TVXZOFIHNHJAEF-KGLIPLIRSA-N 1 1 307.350 0.739 20 5 DCBDMO C[N@@H+](CCO)CCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000829750666 671587861 /nfs/dbraw/zinc/58/78/61/671587861.db2.gz TVXZOFIHNHJAEF-KBPBESRZSA-N 1 1 307.350 0.739 20 5 DCBDMO Nc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000833566162 671748386 /nfs/dbraw/zinc/74/83/86/671748386.db2.gz RUXZFEUPMXOHQX-GFCCVEGCSA-N 1 1 322.365 0.754 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000836847679 671834470 /nfs/dbraw/zinc/83/44/70/671834470.db2.gz AFSOZXYOHIVKOM-XBFCOCLRSA-N 1 1 305.334 0.791 20 5 DCBDMO O=[N+]([O-])c1ccc([C@H](O)CN[C@H](CO)C[NH+]2CCCC2)cc1 ZINC000843114105 672062997 /nfs/dbraw/zinc/06/29/97/672062997.db2.gz CZKJZYLXKNPIDF-DZGCQCFKSA-N 1 1 309.366 0.675 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1-c1noc(C[NH2+]C[C@@H]2CCCO2)n1 ZINC000843222855 672072261 /nfs/dbraw/zinc/07/22/61/672072261.db2.gz LIHVREFDMNWUIV-QMMMGPOBSA-N 1 1 308.298 0.647 20 5 DCBDMO CCOCC[NH2+]CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001753569307 1158042038 /nfs/dbraw/zinc/04/20/38/1158042038.db2.gz RJHHMAWXBROFGR-ZIAGYGMSSA-N 1 1 313.398 0.906 20 5 DCBDMO CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cc(C)ncn1 ZINC001567425388 1160361275 /nfs/dbraw/zinc/36/12/75/1160361275.db2.gz MXYLJZLQDYYRHN-ZIAGYGMSSA-N 1 1 321.381 0.778 20 5 DCBDMO CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cc(C)ncn1 ZINC001567425388 1160361280 /nfs/dbraw/zinc/36/12/80/1160361280.db2.gz MXYLJZLQDYYRHN-ZIAGYGMSSA-N 1 1 321.381 0.778 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CCCC[N@H+]2CCO)n1 ZINC001569435474 1161057611 /nfs/dbraw/zinc/05/76/11/1161057611.db2.gz JWVDKWVLTSSTPQ-GFCCVEGCSA-N 1 1 322.365 0.875 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N(CCO)CC[NH2+]CC1CCCCC1 ZINC001569932960 1161328995 /nfs/dbraw/zinc/32/89/95/1161328995.db2.gz JESAYQGQEBQRHN-ZIAGYGMSSA-N 1 1 313.398 0.642 20 5 DCBDMO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)CC[N@H+]1C ZINC001590175198 1166801246 /nfs/dbraw/zinc/80/12/46/1166801246.db2.gz MPVRDMRYINGRAF-HTQZYQBOSA-N 1 1 318.341 0.862 20 5 DCBDMO CC[N@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1 ZINC001590731472 1166990088 /nfs/dbraw/zinc/99/00/88/1166990088.db2.gz UEJCKWYOVAKIAQ-MRVPVSSYSA-N 1 1 318.341 0.863 20 5 DCBDMO Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001626175164 1169593621 /nfs/dbraw/zinc/59/36/21/1169593621.db2.gz RPDOYKXKXLDEGB-NWDGAFQWSA-N 1 1 320.349 0.770 20 5 DCBDMO Cn1cc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC001611958669 1171360625 /nfs/dbraw/zinc/36/06/25/1171360625.db2.gz PLUDVWBXAMHCIY-NSHDSACASA-N 1 1 308.386 0.909 20 5 DCBDMO Cn1cc([N+](=O)[O-])c(N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)n1 ZINC001611958669 1171360633 /nfs/dbraw/zinc/36/06/33/1171360633.db2.gz PLUDVWBXAMHCIY-NSHDSACASA-N 1 1 308.386 0.909 20 5 DCBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC001623518092 1171439608 /nfs/dbraw/zinc/43/96/08/1171439608.db2.gz XHJYIMWSZPAPCX-JQWIXIFHSA-N 1 1 323.353 0.561 20 5 DCBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC001623518092 1171439614 /nfs/dbraw/zinc/43/96/14/1171439614.db2.gz XHJYIMWSZPAPCX-JQWIXIFHSA-N 1 1 323.353 0.561 20 5 DCBDMO COCCC[N@@H+](C)CCNC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC001630301382 1171568339 /nfs/dbraw/zinc/56/83/39/1171568339.db2.gz JOYRUXUBNUVYOX-UHFFFAOYSA-N 1 1 313.358 0.184 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC1CC([NH+]2CCOCC2)C1 ZINC001630752394 1171578611 /nfs/dbraw/zinc/57/86/11/1171578611.db2.gz SKTBMEUKUUMMDT-UHFFFAOYSA-N 1 1 323.353 0.079 20 5 DCBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001639675253 1171847211 /nfs/dbraw/zinc/84/72/11/1171847211.db2.gz IOLHTDOWDHTGMB-UHFFFAOYSA-N 1 1 307.306 0.416 20 5 DCBDMO C[NH+](C)CC1(O)CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC001642676501 1171953390 /nfs/dbraw/zinc/95/33/90/1171953390.db2.gz QQNSVHSLWGSKHL-UHFFFAOYSA-N 1 1 323.349 0.829 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001645771543 1172133578 /nfs/dbraw/zinc/13/35/78/1172133578.db2.gz SQQIGPSPJBHFCA-UHFFFAOYSA-N 1 1 307.306 0.416 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[N@H+](C)CC1(C)C ZINC001646378307 1172357460 /nfs/dbraw/zinc/35/74/60/1172357460.db2.gz DUKGDNOHRKWYJR-LLVKDONJSA-N 1 1 309.370 0.946 20 5 DCBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC001648588543 1173077316 /nfs/dbraw/zinc/07/73/16/1173077316.db2.gz KKPCWHKEPJECTP-JTQLQIEISA-N 1 1 324.337 0.270 20 5 DCBDMO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@]1(CO)COCC[NH2+]1 ZINC001652189345 1173765462 /nfs/dbraw/zinc/76/54/62/1173765462.db2.gz VDLYMQOWOOVAIC-LLVKDONJSA-N 1 1 302.718 0.406 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001653845580 1173795612 /nfs/dbraw/zinc/79/56/12/1173795612.db2.gz VTVJMKALWWBARG-RISCZKNCSA-N 1 1 323.349 0.517 20 5 DCBDMO COc1c(O)ccc(C[N@H+]2C[C@@H]3C(=O)OC[C@@H]3C2)c1[N+](=O)[O-] ZINC001660418983 1173992343 /nfs/dbraw/zinc/99/23/43/1173992343.db2.gz NLBXHHOXFUEIHD-UWVGGRQHSA-N 1 1 308.290 0.914 20 5 DCBDMO COc1c(O)ccc(C[N@@H+]2C[C@@H]3C(=O)OC[C@@H]3C2)c1[N+](=O)[O-] ZINC001660418983 1173992347 /nfs/dbraw/zinc/99/23/47/1173992347.db2.gz NLBXHHOXFUEIHD-UWVGGRQHSA-N 1 1 308.290 0.914 20 5 DCBDMO COc1cncc(C[NH2+]CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001670091330 1174980861 /nfs/dbraw/zinc/98/08/61/1174980861.db2.gz XAPZSDDTXMILMT-VXGBXAGGSA-N 1 1 323.353 0.089 20 5 DCBDMO CCOCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001671839603 1175039191 /nfs/dbraw/zinc/03/91/91/1175039191.db2.gz NTXORFQCECTERQ-CHWSQXEVSA-N 1 1 313.398 0.906 20 5 DCBDMO C[N@@H+](CCO)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001672924998 1175162275 /nfs/dbraw/zinc/16/22/75/1175162275.db2.gz MUELDGDTRRIXRP-ZIAGYGMSSA-N 1 1 307.350 0.392 20 5 DCBDMO C[N@H+](CCO)Cc1ccccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001672924998 1175162283 /nfs/dbraw/zinc/16/22/83/1175162283.db2.gz MUELDGDTRRIXRP-ZIAGYGMSSA-N 1 1 307.350 0.392 20 5 DCBDMO C[N@@H+](CCO)Cc1ccccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001672924998 1175162285 /nfs/dbraw/zinc/16/22/85/1175162285.db2.gz MUELDGDTRRIXRP-ZIAGYGMSSA-N 1 1 307.350 0.392 20 5 DCBDMO CN(CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)CC(N)=O ZINC001698986589 1177750159 /nfs/dbraw/zinc/75/01/59/1177750159.db2.gz NEPZWFONHHTALM-UHFFFAOYSA-N 1 1 308.338 0.360 20 5 DCBDMO CN(CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)CC(N)=O ZINC001698986589 1177750166 /nfs/dbraw/zinc/75/01/66/1177750166.db2.gz NEPZWFONHHTALM-UHFFFAOYSA-N 1 1 308.338 0.360 20 5 DCBDMO O=C(NC1(CO)CC[NH+](CC2CCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001700335841 1178585413 /nfs/dbraw/zinc/58/54/13/1178585413.db2.gz DEGSCAQYBZRGLF-CHWSQXEVSA-N 1 1 311.382 0.395 20 5 DCBDMO C[C@H]1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)[C@@H](C)CN1C ZINC001164636504 719258122 /nfs/dbraw/zinc/25/81/22/719258122.db2.gz TYIOLQJKBUAANP-UWVGGRQHSA-N 1 1 306.370 0.600 20 5 DCBDMO Cc1ncc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)s1 ZINC001124538909 751668857 /nfs/dbraw/zinc/66/88/57/751668857.db2.gz FSBSWFRAJLFKKL-UHFFFAOYSA-N 1 1 324.366 0.613 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1cncc(F)c1 ZINC001125577239 747349819 /nfs/dbraw/zinc/34/98/19/747349819.db2.gz IIKBITITXMKMDV-UHFFFAOYSA-N 1 1 322.300 0.382 20 5 DCBDMO Cc1cnccc1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001126782362 749881206 /nfs/dbraw/zinc/88/12/06/749881206.db2.gz QITGKMQEOPBEEC-UHFFFAOYSA-N 1 1 318.337 0.551 20 5 DCBDMO Cc1ccc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001126932365 750143966 /nfs/dbraw/zinc/14/39/66/750143966.db2.gz URJZTVKEQANDFH-CHWSQXEVSA-N 1 1 320.349 0.305 20 5 DCBDMO CC(C)(C)n1cc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001126936407 750149704 /nfs/dbraw/zinc/14/97/04/750149704.db2.gz GINCELLUOVUKRD-VXGBXAGGSA-N 1 1 309.370 0.509 20 5 DCBDMO Cc1cccc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001126943099 750156097 /nfs/dbraw/zinc/15/60/97/750156097.db2.gz KZGPYLVKIOAOBY-CHWSQXEVSA-N 1 1 320.349 0.305 20 5 DCBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1C[N@@H+](C)CCN1C ZINC000823784653 758273980 /nfs/dbraw/zinc/27/39/80/758273980.db2.gz OFMGAWUKSYROII-ZWNOBZJWSA-N 1 1 307.354 0.354 20 5 DCBDMO COC(=O)[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCOCC1 ZINC001168967894 760534612 /nfs/dbraw/zinc/53/46/12/760534612.db2.gz UKAAWMCTUPPXDO-RAIGVLPGSA-N 1 1 300.355 0.990 20 5 DCBDMO O=C1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1C1CCOCC1 ZINC001169036528 760554855 /nfs/dbraw/zinc/55/48/55/760554855.db2.gz PCOLQKZHGCNTPW-GXTWGEPZSA-N 1 1 311.382 0.755 20 5 DCBDMO O=C1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1C1CCOCC1 ZINC001169036528 760554859 /nfs/dbraw/zinc/55/48/59/760554859.db2.gz PCOLQKZHGCNTPW-GXTWGEPZSA-N 1 1 311.382 0.755 20 5 DCBDMO Cc1cocc1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001132482771 764476750 /nfs/dbraw/zinc/47/67/50/764476750.db2.gz GOVBYKVUOUIXNX-UHFFFAOYSA-N 1 1 307.310 0.749 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1ccc(F)nc1 ZINC001124936226 768326975 /nfs/dbraw/zinc/32/69/75/768326975.db2.gz ANGCPBQOZDPDQG-UHFFFAOYSA-N 1 1 322.300 0.382 20 5 DCBDMO Cn1cc(C[NH+]2CCC3(CNC(=O)N3C)CC2)c([N+](=O)[O-])n1 ZINC001119306597 766630124 /nfs/dbraw/zinc/63/01/24/766630124.db2.gz RIXCJPIAKSTNNO-UHFFFAOYSA-N 1 1 308.342 0.318 20 5 DCBDMO Cc1nnc([C@H]2CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)[nH]1 ZINC001171217223 767020748 /nfs/dbraw/zinc/02/07/48/767020748.db2.gz OMNOKEQARICQHV-CMPLNLGQSA-N 1 1 321.341 0.068 20 5 DCBDMO Cc1n[nH]c([C@H]2CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC001171217223 767020758 /nfs/dbraw/zinc/02/07/58/767020758.db2.gz OMNOKEQARICQHV-CMPLNLGQSA-N 1 1 321.341 0.068 20 5 DCBDMO Cc1n[nH]c([C@H]2CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC001171217223 767020769 /nfs/dbraw/zinc/02/07/69/767020769.db2.gz OMNOKEQARICQHV-CMPLNLGQSA-N 1 1 321.341 0.068 20 5 DCBDMO Cc1nc([C@H]2CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC001171217223 767020781 /nfs/dbraw/zinc/02/07/81/767020781.db2.gz OMNOKEQARICQHV-CMPLNLGQSA-N 1 1 321.341 0.068 20 5 DCBDMO Cc1nc([C@H]2CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC001171217223 767020792 /nfs/dbraw/zinc/02/07/92/767020792.db2.gz OMNOKEQARICQHV-CMPLNLGQSA-N 1 1 321.341 0.068 20 5 DCBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])cnc3N)CC[C@@H]21 ZINC001171814596 769382844 /nfs/dbraw/zinc/38/28/44/769382844.db2.gz KHFHIZLMXDNCOI-CABZTGNLSA-N 1 1 305.338 0.738 20 5 DCBDMO CN(C)C1(CNc2cc([N+](=O)[O-])cc[n+]2[O-])CC[NH+](C)CC1 ZINC001156175784 770739692 /nfs/dbraw/zinc/73/96/92/770739692.db2.gz FOSUETAGQAGUOG-UHFFFAOYSA-N 1 1 309.370 0.666 20 5 DCBDMO CCOc1cccc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001157761723 771665072 /nfs/dbraw/zinc/66/50/72/771665072.db2.gz ZGTWTSDXQSHRBY-CHWSQXEVSA-N 1 1 322.365 0.741 20 5 DCBDMO CCOC(=O)C1=C(Nc2cc(N)c([N+](=O)[O-])cn2)CC[NH2+]C1 ZINC001159453199 771912954 /nfs/dbraw/zinc/91/29/54/771912954.db2.gz VDMOMUSRDPNAHW-UHFFFAOYSA-N 1 1 307.310 0.794 20 5 DCBDMO CC[C@]([NH3+])(CO)Nc1nc(Cl)nc(C(=O)OC)c1[N+](=O)[O-] ZINC001159744495 771950869 /nfs/dbraw/zinc/95/08/69/771950869.db2.gz XHHPMMDONHEMQR-SNVBAGLBSA-N 1 1 319.705 0.294 20 5 DCBDMO O=C1C[NH2+]CCN1CCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001161018946 772149821 /nfs/dbraw/zinc/14/98/21/772149821.db2.gz GYJROXVYNZTCMF-UHFFFAOYSA-N 1 1 316.321 0.382 20 5 DCBDMO CC(C)Oc1nc(NCCN2CC[NH2+]CC2=O)ccc1[N+](=O)[O-] ZINC001161024317 772151614 /nfs/dbraw/zinc/15/16/14/772151614.db2.gz ARVUBKNXHYGUPZ-UHFFFAOYSA-N 1 1 323.353 0.621 20 5 DCBDMO O=[N+]([O-])c1c[nH]c2ncnc(NCC[C@@H]3CCOC34C[NH2+]C4)c12 ZINC001163087521 772458429 /nfs/dbraw/zinc/45/84/29/772458429.db2.gz NJHBBHJYPJAZBO-SECBINFHSA-N 1 1 318.337 0.998 20 5 DCBDMO Nc1nc(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)ncc1[N+](=O)[O-] ZINC001164303005 772642468 /nfs/dbraw/zinc/64/24/68/772642468.db2.gz NCBNISDBLYUZIE-UWVGGRQHSA-N 1 1 308.342 0.002 20 5 DCBDMO O=C(C[N@@H+]1C[C@H](CO)[C@@H](CCO)C1)Nc1ccccc1[N+](=O)[O-] ZINC001198752868 773975325 /nfs/dbraw/zinc/97/53/25/773975325.db2.gz NNQJBAIZCSUNDE-NWDGAFQWSA-N 1 1 323.349 0.456 20 5 DCBDMO O=C(C[N@H+]1C[C@H](CO)[C@@H](CCO)C1)Nc1ccccc1[N+](=O)[O-] ZINC001198752868 773975328 /nfs/dbraw/zinc/97/53/28/773975328.db2.gz NNQJBAIZCSUNDE-NWDGAFQWSA-N 1 1 323.349 0.456 20 5 DCBDMO O=C(NC/C=C\C[NH2+]CCC1CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001483007226 941773853 /nfs/dbraw/zinc/77/38/53/941773853.db2.gz HQKYDUBRSXAGMU-KOMGFDSOSA-N 1 1 311.382 0.730 20 5 DCBDMO CN(CCC[NH2+]Cc1cncc(F)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001483465098 942371268 /nfs/dbraw/zinc/37/12/68/942371268.db2.gz XBFFLHFFNUWQKR-CHWSQXEVSA-N 1 1 310.329 0.824 20 5 DCBDMO Cc1cnc(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001321057607 946146925 /nfs/dbraw/zinc/14/69/25/946146925.db2.gz QWLSTXHEODBJEY-LLGAQUFESA-N 1 1 305.338 0.212 20 5 DCBDMO Cc1nc(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)ncc1[N+](=O)[O-] ZINC001324416882 947422133 /nfs/dbraw/zinc/42/21/33/947422133.db2.gz KFLNNAZWYFRABY-ZDUSSCGKSA-N 1 1 320.397 0.909 20 5 DCBDMO COCCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[NH+](C2CC2)CC1 ZINC001263261609 947827323 /nfs/dbraw/zinc/82/73/23/947827323.db2.gz IQHRSEVRKKKQCA-LLVKDONJSA-N 1 1 324.385 0.547 20 5 DCBDMO C[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H]1O ZINC001576214232 950662300 /nfs/dbraw/zinc/66/23/00/950662300.db2.gz NOWQFGSMGQEUNL-NOZJJQNGSA-N 1 1 318.337 0.978 20 5 DCBDMO COC(=O)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)OC ZINC001336888395 952781438 /nfs/dbraw/zinc/78/14/38/952781438.db2.gz JRLCEDIPTVNMIJ-BETUJISGSA-N 1 1 322.317 0.989 20 5 DCBDMO C[C@H](c1nnc(N2CC[NH+]([C@@H]3CCOC3)CC2)n1C)[N+](=O)[O-] ZINC001355415605 956645436 /nfs/dbraw/zinc/64/54/36/956645436.db2.gz KOHHEZDDRCPRDN-GHMZBOCLSA-N 1 1 310.358 0.064 20 5 DCBDMO C[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCN1C ZINC001293743922 957422715 /nfs/dbraw/zinc/42/27/15/957422715.db2.gz FPFKVPCNAPNOHO-HZMBPMFUSA-N 1 1 321.381 0.541 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](c2ncccn2)C2CC2)c1 ZINC001308091355 960168085 /nfs/dbraw/zinc/16/80/85/960168085.db2.gz BETOLSYBTPYTOC-OLZOCXBDSA-N 1 1 318.337 0.683 20 5 DCBDMO Cc1cncc(C[N@@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001316823920 960394125 /nfs/dbraw/zinc/39/41/25/960394125.db2.gz RTFNYYNWJMNZAQ-ZIAGYGMSSA-N 1 1 306.366 0.993 20 5 DCBDMO Cc1cncc(C[N@H+](C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001316823920 960394133 /nfs/dbraw/zinc/39/41/33/960394133.db2.gz RTFNYYNWJMNZAQ-ZIAGYGMSSA-N 1 1 306.366 0.993 20 5 DCBDMO Cc1cncc(C[N@@H+](C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001316823920 960394141 /nfs/dbraw/zinc/39/41/41/960394141.db2.gz RTFNYYNWJMNZAQ-ZIAGYGMSSA-N 1 1 306.366 0.993 20 5 DCBDMO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001447286330 1013344538 /nfs/dbraw/zinc/34/45/38/1013344538.db2.gz PCQXRZBOZOIECI-OTYXRUKQSA-N 1 1 319.321 0.865 20 5 DCBDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001447286330 1013344548 /nfs/dbraw/zinc/34/45/48/1013344548.db2.gz PCQXRZBOZOIECI-OTYXRUKQSA-N 1 1 319.321 0.865 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001526564568 1015302621 /nfs/dbraw/zinc/30/26/21/1015302621.db2.gz IPVZBOMYSPPXRS-NEPJUHHUSA-N 1 1 307.354 0.652 20 5 DCBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cnc(N)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC001471214613 1016544943 /nfs/dbraw/zinc/54/49/43/1016544943.db2.gz JUMICWTUKGDRJK-ONGXEEELSA-N 1 1 305.338 0.738 20 5 DCBDMO CC[N@H+]1C[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001456231952 1010137426 /nfs/dbraw/zinc/13/74/26/1010137426.db2.gz RLZMREMTEIIITG-ZDUSSCGKSA-N 1 1 322.365 0.603 20 5 DCBDMO C[NH+]1CC(N2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)C1 ZINC001520660666 1017299088 /nfs/dbraw/zinc/29/90/88/1017299088.db2.gz RQWBQMAXBARWHG-UHFFFAOYSA-N 1 1 305.338 0.062 20 5 DCBDMO O=[N+]([O-])c1cccc(Br)c1C[NH2+]C[C@H](O)CO ZINC001560455580 1012451619 /nfs/dbraw/zinc/45/16/19/1012451619.db2.gz RPZMMGUZNXPHNV-ZETCQYMHSA-N 1 1 305.128 0.800 20 5 DCBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C3C[NH+](C)C3)CC2)c1 ZINC001522086887 1017450525 /nfs/dbraw/zinc/45/05/25/1017450525.db2.gz KALZZUOYCIRCRH-UHFFFAOYSA-N 1 1 318.377 0.975 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](C3CCOCC3)C2)c1 ZINC000331746437 234074898 /nfs/dbraw/zinc/07/48/98/234074898.db2.gz ZHGZJIJXNYAQNL-HIFRSBDPSA-N 1 1 324.381 0.901 20 5 DCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000160255596 291237973 /nfs/dbraw/zinc/23/79/73/291237973.db2.gz BFJXKRSUQKAETC-SECBINFHSA-N 1 1 307.310 0.954 20 5 DCBDMO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)N1CCNCC1 ZINC000566088004 291268343 /nfs/dbraw/zinc/26/83/43/291268343.db2.gz KGZIDXKJRQUODJ-CYBMUJFWSA-N 1 1 320.393 0.937 20 5 DCBDMO CN(C(=O)CN1CC[NH+](CCO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000282924371 217329370 /nfs/dbraw/zinc/32/93/70/217329370.db2.gz FCKSWVZFHSNIMB-UHFFFAOYSA-N 1 1 322.365 0.168 20 5 DCBDMO C[N@@H+](CCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)C1CC1 ZINC000272959395 210343105 /nfs/dbraw/zinc/34/31/05/210343105.db2.gz ZLFQQUHFZDURNO-UHFFFAOYSA-N 1 1 314.367 0.748 20 5 DCBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000349690933 254292782 /nfs/dbraw/zinc/29/27/82/254292782.db2.gz HAZUMUOZHHGESM-GFCCVEGCSA-N 1 1 323.397 0.689 20 5 DCBDMO Cc1n[nH]c(C(=O)N(C)CCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000330721764 533658838 /nfs/dbraw/zinc/65/88/38/533658838.db2.gz XUSMOLNLWMRRDG-UHFFFAOYSA-N 1 1 324.385 0.336 20 5 DCBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC3(CO)COC3)C2)nc1 ZINC000089128436 395708435 /nfs/dbraw/zinc/70/84/35/395708435.db2.gz UELONQSBWIALTA-LLVKDONJSA-N 1 1 308.338 0.485 20 5 DCBDMO C[NH+]1CCN(CC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000111577981 395809706 /nfs/dbraw/zinc/80/97/06/395809706.db2.gz IQSQUNPEBDPBEB-UHFFFAOYSA-N 1 1 306.366 0.501 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](O)C1 ZINC000114485912 395835336 /nfs/dbraw/zinc/83/53/36/395835336.db2.gz FBDGARZAWDZJDU-LLVKDONJSA-N 1 1 309.322 0.999 20 5 DCBDMO CN(C)c1[nH+]cc(CNC(=O)c2c(N)cccc2[N+](=O)[O-])n1C ZINC000272454724 395892821 /nfs/dbraw/zinc/89/28/21/395892821.db2.gz NVQROTYFGXPUHW-UHFFFAOYSA-N 1 1 318.337 0.907 20 5 DCBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1COCC[NH2+]1 ZINC000235762071 395893089 /nfs/dbraw/zinc/89/30/89/395893089.db2.gz BFIOVVKAGUBRMJ-JTQLQIEISA-N 1 1 315.351 0.170 20 5 DCBDMO COc1cc(S(=O)(=O)N2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000237228403 395907915 /nfs/dbraw/zinc/90/79/15/395907915.db2.gz URXDPKTXPFELQZ-UHFFFAOYSA-N 1 1 301.324 0.197 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC(N)=O ZINC000052831007 395870873 /nfs/dbraw/zinc/87/08/73/395870873.db2.gz GLUFADXZGWGDLL-UHFFFAOYSA-N 1 1 310.310 0.349 20 5 DCBDMO COCC[N@@H+](C)CCNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000171194681 396109713 /nfs/dbraw/zinc/10/97/13/396109713.db2.gz NHKYPHBVHXIBJF-UHFFFAOYSA-N 1 1 310.354 0.972 20 5 DCBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3C[C@@H](O)[C@@H](O)C3)o2)c1 ZINC000278543571 396130329 /nfs/dbraw/zinc/13/03/29/396130329.db2.gz AKRARCMHEITYBU-BETUJISGSA-N 1 1 319.317 0.830 20 5 DCBDMO O=C(NCC[N@H+]1CC=CCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000280522389 396205930 /nfs/dbraw/zinc/20/59/30/396205930.db2.gz SYIJCIDGHWIUER-UHFFFAOYSA-N 1 1 318.333 0.911 20 5 DCBDMO O=C(NCC[N@@H+]1CC=CCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000280522389 396205932 /nfs/dbraw/zinc/20/59/32/396205932.db2.gz SYIJCIDGHWIUER-UHFFFAOYSA-N 1 1 318.333 0.911 20 5 DCBDMO C[N@H+]1CCC[C@H]2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000178544854 396198183 /nfs/dbraw/zinc/19/81/83/396198183.db2.gz VYAIVPGXOXULAI-AAEUAGOBSA-N 1 1 307.354 0.734 20 5 DCBDMO COC(=O)C[C@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000179152922 396223230 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1 1 322.296 0.908 20 5 DCBDMO O=C1NC(=O)[C@]2(CCC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)N1 ZINC000595464408 396613267 /nfs/dbraw/zinc/61/32/67/396613267.db2.gz CFPRUKPQVYMODJ-CQSZACIVSA-N 1 1 322.296 0.908 20 5 DCBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588861851 396695948 /nfs/dbraw/zinc/69/59/48/396695948.db2.gz VSDNUKXGBFMSFU-KBPBESRZSA-N 1 1 305.334 0.876 20 5 DCBDMO C[C@@H](C[NH+]1CCOCC1)N(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596214056 396733426 /nfs/dbraw/zinc/73/34/26/396733426.db2.gz BOZSQMJEZLOMMZ-NSHDSACASA-N 1 1 322.365 0.851 20 5 DCBDMO NC(=O)c1cc(N[C@H]2CCC[N@@H+](CCCO)C2)ccc1[N+](=O)[O-] ZINC000596250991 396743840 /nfs/dbraw/zinc/74/38/40/396743840.db2.gz WVIOOICAZFUFRG-LBPRGKRZSA-N 1 1 322.365 0.952 20 5 DCBDMO C[N@H+](C[C@@H](O)C(F)(F)F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305780686 396753003 /nfs/dbraw/zinc/75/30/03/396753003.db2.gz TUNMGOXWWPZBAB-DTWKUNHWSA-N 1 1 312.248 0.007 20 5 DCBDMO 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415899397 /nfs/dbraw/zinc/89/93/97/415899397.db2.gz FKHSKLYBNYCDAP-VIFPVBQESA-N 1 1 307.314 0.144 20 5 DCBDMO CN(C)C(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000344419354 415912447 /nfs/dbraw/zinc/91/24/47/415912447.db2.gz MQMPNNJQHIHWJK-UHFFFAOYSA-N 1 1 307.354 0.954 20 5 DCBDMO CC[NH+]1CCN(C(=O)CNc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000134179953 415956668 /nfs/dbraw/zinc/95/66/68/415956668.db2.gz AHPMDCCQTFTMMO-UHFFFAOYSA-N 1 1 307.354 0.874 20 5 DCBDMO CCN1CCN([C@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000175212712 416098501 /nfs/dbraw/zinc/09/85/01/416098501.db2.gz DWTLZPBYTNAJNB-AWEZNQCLSA-N 1 1 322.413 0.503 20 5 DCBDMO CCN1CCN([C@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000175212712 416098504 /nfs/dbraw/zinc/09/85/04/416098504.db2.gz DWTLZPBYTNAJNB-AWEZNQCLSA-N 1 1 322.413 0.503 20 5 DCBDMO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345675017 416131372 /nfs/dbraw/zinc/13/13/72/416131372.db2.gz VFGAEBWEGHMYJO-DTWKUNHWSA-N 1 1 322.325 0.059 20 5 DCBDMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345675017 416131375 /nfs/dbraw/zinc/13/13/75/416131375.db2.gz VFGAEBWEGHMYJO-DTWKUNHWSA-N 1 1 322.325 0.059 20 5 DCBDMO Cc1n[nH]c(C(=O)N[C@@H](C)CC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000358052061 416179885 /nfs/dbraw/zinc/17/98/85/416179885.db2.gz ZTKVGVHNITWARC-VIFPVBQESA-N 1 1 311.342 0.467 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000358058009 416180391 /nfs/dbraw/zinc/18/03/91/416180391.db2.gz PXNHHPKYRWXBCY-AWEZNQCLSA-N 1 1 308.338 0.190 20 5 DCBDMO C[N@@H+](CCCN1C(=O)CNC1=O)Cc1ccccc1[N+](=O)[O-] ZINC000193357155 416316349 /nfs/dbraw/zinc/31/63/49/416316349.db2.gz TYRYMUFCRPMDEW-UHFFFAOYSA-N 1 1 306.322 0.969 20 5 DCBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000583450383 416467844 /nfs/dbraw/zinc/46/78/44/416467844.db2.gz ONZVMSZXKNPHFK-SNVBAGLBSA-N 1 1 307.354 1.198 20 5 DCBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000583450383 416467850 /nfs/dbraw/zinc/46/78/50/416467850.db2.gz ONZVMSZXKNPHFK-SNVBAGLBSA-N 1 1 307.354 1.198 20 5 DCBDMO CC(=O)NCCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459509633 416547217 /nfs/dbraw/zinc/54/72/17/416547217.db2.gz NOZGGEQZAGNZJH-UHFFFAOYSA-N 1 1 307.354 0.638 20 5 DCBDMO Nc1nccc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000539415649 416579413 /nfs/dbraw/zinc/57/94/13/416579413.db2.gz JKZSLGITHBSGTE-SECBINFHSA-N 1 1 305.338 0.786 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000609285193 416653101 /nfs/dbraw/zinc/65/31/01/416653101.db2.gz FDHFLPAPZMCOAC-OCCSQVGLSA-N 1 1 322.365 0.605 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000609285021 416653512 /nfs/dbraw/zinc/65/35/12/416653512.db2.gz CKECZARRTIHTCO-VXGBXAGGSA-N 1 1 308.338 0.594 20 5 DCBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])C1 ZINC000557634672 416744818 /nfs/dbraw/zinc/74/48/18/416744818.db2.gz OINBCKGSZREQLX-NSHDSACASA-N 1 1 321.381 1.445 20 5 DCBDMO Cc1[nH+]ccn1CCCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000557549659 416738680 /nfs/dbraw/zinc/73/86/80/416738680.db2.gz SWOZHHUGVMZIBX-UHFFFAOYSA-N 1 1 304.310 0.897 20 5 DCBDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000447844157 417032960 /nfs/dbraw/zinc/03/29/60/417032960.db2.gz PEVQCRSMSNIYLY-SGMGOOAPSA-N 1 1 312.370 0.778 20 5 DCBDMO C[C@H](NC(=O)c1ccnc(N)c1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000566687446 417052287 /nfs/dbraw/zinc/05/22/87/417052287.db2.gz KAZQTWRCVPOVLO-VIFPVBQESA-N 1 1 305.338 0.952 20 5 DCBDMO O=[N+]([O-])c1ccn(CC[N@H+](CCO)[C@@H]2CCCSC2)n1 ZINC000433180437 417236338 /nfs/dbraw/zinc/23/63/38/417236338.db2.gz JJUKWFBUAXEHCT-LLVKDONJSA-N 1 1 300.384 0.981 20 5 DCBDMO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]12 ZINC000451632846 417368314 /nfs/dbraw/zinc/36/83/14/417368314.db2.gz LRXGILKTLZQVPV-AOOOYVTPSA-N 1 1 309.709 0.953 20 5 DCBDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]12 ZINC000451632846 417368318 /nfs/dbraw/zinc/36/83/18/417368318.db2.gz LRXGILKTLZQVPV-AOOOYVTPSA-N 1 1 309.709 0.953 20 5 DCBDMO CC(C)[N@H+]1CC[C@@H](N(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000452111965 417454675 /nfs/dbraw/zinc/45/46/75/417454675.db2.gz DKNGGVZXLDPMRN-TZMCWYRMSA-N 1 1 311.386 0.567 20 5 DCBDMO CC(C)N1CC[C@@H]([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000452111965 417454679 /nfs/dbraw/zinc/45/46/79/417454679.db2.gz DKNGGVZXLDPMRN-TZMCWYRMSA-N 1 1 311.386 0.567 20 5 DCBDMO CC(C)N1CC[C@@H]([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000452111965 417454684 /nfs/dbraw/zinc/45/46/84/417454684.db2.gz DKNGGVZXLDPMRN-TZMCWYRMSA-N 1 1 311.386 0.567 20 5 DCBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])C2)C1 ZINC000572854684 417463878 /nfs/dbraw/zinc/46/38/78/417463878.db2.gz KDVNYOWKTMBPNG-AWEZNQCLSA-N 1 1 305.338 0.740 20 5 DCBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000354439130 261219504 /nfs/dbraw/zinc/21/95/04/261219504.db2.gz FOZQJJRSKUSRLN-RYUDHWBXSA-N 1 1 320.349 0.500 20 5 DCBDMO C[C@H]1CC(=O)NCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000363681143 262127594 /nfs/dbraw/zinc/12/75/94/262127594.db2.gz UFUIEXBEVUAOPT-NWDGAFQWSA-N 1 1 323.349 0.545 20 5 DCBDMO C[C@H]1CC(=O)NCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000363681143 262127596 /nfs/dbraw/zinc/12/75/96/262127596.db2.gz UFUIEXBEVUAOPT-NWDGAFQWSA-N 1 1 323.349 0.545 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412252877 262184122 /nfs/dbraw/zinc/18/41/22/262184122.db2.gz QWQFGHVARHGWIS-LZWOXQAQSA-N 1 1 319.361 0.881 20 5 DCBDMO CC(=O)N[C@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000420985382 262388842 /nfs/dbraw/zinc/38/88/42/262388842.db2.gz KXMIQKATRGUDBU-JSGCOSHPSA-N 1 1 323.349 0.545 20 5 DCBDMO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@H]1CCC[N@H+]1CCCO ZINC000420639464 271374186 /nfs/dbraw/zinc/37/41/86/271374186.db2.gz QDWSHPHFPCPEJW-LLVKDONJSA-N 1 1 322.365 0.952 20 5 DCBDMO CC(C)[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1C ZINC000489383053 272060674 /nfs/dbraw/zinc/06/06/74/272060674.db2.gz DPIGVGUVDGCUGQ-ZDUSSCGKSA-N 1 1 322.365 0.555 20 5 DCBDMO CC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000282342955 276138650 /nfs/dbraw/zinc/13/86/50/276138650.db2.gz MHXGWDBPKSPYBT-AAEUAGOBSA-N 1 1 323.349 0.545 20 5 DCBDMO CNC(=O)c1ccc(N2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000053548741 277258713 /nfs/dbraw/zinc/25/87/13/277258713.db2.gz INCKPLYGXZLPRA-UHFFFAOYSA-N 1 1 308.338 0.069 20 5 DCBDMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000266883443 277324674 /nfs/dbraw/zinc/32/46/74/277324674.db2.gz CRJLQPBWMPKHRY-SNVBAGLBSA-N 1 1 324.337 0.632 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2noc3c2CCCC3)c1 ZINC000582960278 337218815 /nfs/dbraw/zinc/21/88/15/337218815.db2.gz JXTRQHXAADQPMT-LLVKDONJSA-N 1 1 321.337 0.809 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000583734568 337327298 /nfs/dbraw/zinc/32/72/98/337327298.db2.gz CDWGOVHKKLGLOV-MFKMUULPSA-N 1 1 311.363 0.919 20 5 DCBDMO C[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC001565609613 1159852689 /nfs/dbraw/zinc/85/26/89/1159852689.db2.gz UWZOZMHOFHKZMB-ZDUSSCGKSA-N 1 1 314.430 0.822 20 5 DCBDMO COc1ccc(CNC(=O)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000266799888 524064477 /nfs/dbraw/zinc/06/44/77/524064477.db2.gz FBBHBJBTHNXECU-CYBMUJFWSA-N 1 1 309.322 0.550 20 5 DCBDMO COc1ccc(CNC(=O)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000266799888 524064479 /nfs/dbraw/zinc/06/44/79/524064479.db2.gz FBBHBJBTHNXECU-CYBMUJFWSA-N 1 1 309.322 0.550 20 5 DCBDMO CC(C)(C)C[N@@H+](CCCO)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173707209 527683242 /nfs/dbraw/zinc/68/32/42/527683242.db2.gz OJMRYWBPYFFIMT-ZDUSSCGKSA-N 1 1 314.386 0.883 20 5 DCBDMO CC[N@H+]1C[C@@H](C)[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821240285 606731205 /nfs/dbraw/zinc/73/12/05/606731205.db2.gz FYOUBBLLEFINDW-KCJUWKMLSA-N 1 1 318.341 0.922 20 5 DCBDMO Cn1c(C(=O)N2CCN(C)CC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000888996966 658128571 /nfs/dbraw/zinc/12/85/71/658128571.db2.gz NXYMZURJYHRPQL-UHFFFAOYSA-N 1 1 309.370 0.253 20 5 DCBDMO O=[N+]([O-])c1cnn(CCN2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000934261988 658247905 /nfs/dbraw/zinc/24/79/05/658247905.db2.gz HCAGSIOGZRNNRJ-KBPBESRZSA-N 1 1 309.370 0.322 20 5 DCBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H]3[C@@H]2CCCN3CCO)c1 ZINC000934261988 658247910 /nfs/dbraw/zinc/24/79/10/658247910.db2.gz HCAGSIOGZRNNRJ-KBPBESRZSA-N 1 1 309.370 0.322 20 5 DCBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H]3[C@@H]2CCCN3CCO)c1 ZINC000934261988 658247916 /nfs/dbraw/zinc/24/79/16/658247916.db2.gz HCAGSIOGZRNNRJ-KBPBESRZSA-N 1 1 309.370 0.322 20 5 DCBDMO C[C@@]1(C2CC2)COCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000934480588 658440442 /nfs/dbraw/zinc/44/04/42/658440442.db2.gz DHKWWSYRQNKADM-KGLIPLIRSA-N 1 1 310.354 0.653 20 5 DCBDMO O=[N+]([O-])c1cnn(CCN2CCC([N@H+]3CCCOCC3)CC2)c1 ZINC000931285493 659487135 /nfs/dbraw/zinc/48/71/35/659487135.db2.gz AAIVYFJNJWPAIC-UHFFFAOYSA-N 1 1 323.397 0.978 20 5 DCBDMO Cc1ccncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775187 659557381 /nfs/dbraw/zinc/55/73/81/659557381.db2.gz BRPDGDYEUDWHCK-QMIVOQANSA-N 1 1 316.361 0.602 20 5 DCBDMO Cc1ccncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001025775187 659557384 /nfs/dbraw/zinc/55/73/84/659557384.db2.gz BRPDGDYEUDWHCK-QMIVOQANSA-N 1 1 316.361 0.602 20 5 DCBDMO Cc1ccncc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001025775187 659557387 /nfs/dbraw/zinc/55/73/87/659557387.db2.gz BRPDGDYEUDWHCK-QMIVOQANSA-N 1 1 316.361 0.602 20 5 DCBDMO C[C@H]1C[N@@H+](CCCOC(=O)Cn2ccc([N+](=O)[O-])n2)CCO1 ZINC000893390171 659620864 /nfs/dbraw/zinc/62/08/64/659620864.db2.gz DKPKVNPXHZTAAR-NSHDSACASA-N 1 1 312.326 0.445 20 5 DCBDMO Cc1nn(C)c(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000726163826 661652171 /nfs/dbraw/zinc/65/21/71/661652171.db2.gz OEKRXXLYOAQOKD-QWRGUYRKSA-N 1 1 323.353 0.230 20 5 DCBDMO Cc1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)o1 ZINC000983653795 661998189 /nfs/dbraw/zinc/99/81/89/661998189.db2.gz LEHAAZBEBBIGMC-HKUMRIAESA-N 1 1 322.365 0.941 20 5 DCBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000896577836 662295052 /nfs/dbraw/zinc/29/50/52/662295052.db2.gz SMCPEMZJWRJCFS-BXUZGUMPSA-N 1 1 321.381 0.662 20 5 DCBDMO O=C1N[C@]2(CC[N@@H+](Cc3ccccc3)C2)C(=O)N1CC[N+](=O)[O-] ZINC000899880850 663196886 /nfs/dbraw/zinc/19/68/86/663196886.db2.gz AWZIQHNZJAZQGS-HNNXBMFYSA-N 1 1 318.333 0.460 20 5 DCBDMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000901235230 663332197 /nfs/dbraw/zinc/33/21/97/663332197.db2.gz SZXSUTZRZIPATO-ZFWWWQNUSA-N 1 1 307.350 0.709 20 5 DCBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905904686 663588113 /nfs/dbraw/zinc/58/81/13/663588113.db2.gz MQEDJEIKMATAJS-ZFWWWQNUSA-N 1 1 310.350 0.929 20 5 DCBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905904686 663588115 /nfs/dbraw/zinc/58/81/15/663588115.db2.gz MQEDJEIKMATAJS-ZFWWWQNUSA-N 1 1 310.350 0.929 20 5 DCBDMO C[C@H]1C[N@H+](CCn2nnc(-c3ccccc3[N+](=O)[O-])n2)CCO1 ZINC000912457805 664177962 /nfs/dbraw/zinc/17/79/62/664177962.db2.gz BPMPHMMBTMWOQS-NSHDSACASA-N 1 1 318.337 0.969 20 5 DCBDMO C[C@H]1C[N@@H+](CCn2nnc(-c3ccccc3[N+](=O)[O-])n2)CCO1 ZINC000912457805 664177964 /nfs/dbraw/zinc/17/79/64/664177964.db2.gz BPMPHMMBTMWOQS-NSHDSACASA-N 1 1 318.337 0.969 20 5 DCBDMO Cc1c(CC(=O)N2CC[N@@H+](C)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000913547804 664341564 /nfs/dbraw/zinc/34/15/64/664341564.db2.gz XAWKWMIOODMKTF-CYBMUJFWSA-N 1 1 307.350 0.581 20 5 DCBDMO Cc1c(CC(=O)N2CC[N@H+](C)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000913547804 664341565 /nfs/dbraw/zinc/34/15/65/664341565.db2.gz XAWKWMIOODMKTF-CYBMUJFWSA-N 1 1 307.350 0.581 20 5 DCBDMO Cn1cncc1C[NH+]1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001001393564 666040944 /nfs/dbraw/zinc/04/09/44/666040944.db2.gz DLLZWJOFHNCDSV-ZIAGYGMSSA-N 1 1 321.381 0.414 20 5 DCBDMO Cc1nocc1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996429249 666790851 /nfs/dbraw/zinc/79/08/51/666790851.db2.gz NSMXFJOJQIUDIG-CHWSQXEVSA-N 1 1 308.338 0.729 20 5 DCBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000841456765 667178290 /nfs/dbraw/zinc/17/82/90/667178290.db2.gz LWQLALUBEQRCOH-RYUDHWBXSA-N 1 1 301.387 0.735 20 5 DCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865706399 667340196 /nfs/dbraw/zinc/34/01/96/667340196.db2.gz VCTXRFDUDPGARB-GFCCVEGCSA-N 1 1 324.356 0.638 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000923329138 667505959 /nfs/dbraw/zinc/50/59/59/667505959.db2.gz PBJWVSFDJNVOTD-CFVMTHIKSA-N 1 1 323.397 0.616 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000923415169 667530684 /nfs/dbraw/zinc/53/06/84/667530684.db2.gz QLYYKJGUPVXDJZ-BNOWGMLFSA-N 1 1 309.370 0.226 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c1 ZINC000886830451 667804382 /nfs/dbraw/zinc/80/43/82/667804382.db2.gz RFPWXOBBMUXTPQ-IACUBPJLSA-N 1 1 310.354 0.653 20 5 DCBDMO C[C@@H]([NH2+]Cc1cn(C)c(=O)n(C)c1=O)c1ccccc1[N+](=O)[O-] ZINC000873184098 667976886 /nfs/dbraw/zinc/97/68/86/667976886.db2.gz BSCGOLLQWMPTLV-SNVBAGLBSA-N 1 1 318.333 0.843 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889779259 667996661 /nfs/dbraw/zinc/99/66/61/667996661.db2.gz DJCGPFMQECHKSA-STQMWFEESA-N 1 1 322.365 0.605 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000874843077 668225952 /nfs/dbraw/zinc/22/59/52/668225952.db2.gz LOXJSOWMYJTXKB-NWDGAFQWSA-N 1 1 307.354 0.795 20 5 DCBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000762721271 668374532 /nfs/dbraw/zinc/37/45/32/668374532.db2.gz KAZDZNRXAFHICF-CYBMUJFWSA-N 1 1 324.293 0.299 20 5 DCBDMO C[N@H+](CC(=O)OCCn1cc([N+](=O)[O-])cn1)[C@H]1CCSC1 ZINC000767112158 668559892 /nfs/dbraw/zinc/55/98/92/668559892.db2.gz OXQUDNVYGZLQTJ-JTQLQIEISA-N 1 1 314.367 0.772 20 5 DCBDMO C[N@@H+](CC(=O)OCCn1cc([N+](=O)[O-])cn1)[C@H]1CCSC1 ZINC000767112158 668559894 /nfs/dbraw/zinc/55/98/94/668559894.db2.gz OXQUDNVYGZLQTJ-JTQLQIEISA-N 1 1 314.367 0.772 20 5 DCBDMO Cc1c(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000877719366 668641582 /nfs/dbraw/zinc/64/15/82/668641582.db2.gz YXHKKHODQKOUMP-TXEJJXNPSA-N 1 1 303.318 0.950 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000878663621 668754518 /nfs/dbraw/zinc/75/45/18/668754518.db2.gz MTKKRMVYBIAPEM-LLVKDONJSA-N 1 1 311.342 0.872 20 5 DCBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H](O)C[C@]1(O)CCOC1)C2 ZINC000930099759 668956863 /nfs/dbraw/zinc/95/68/63/668956863.db2.gz NUTDUVTZCSLWQR-CZUORRHYSA-N 1 1 322.361 0.855 20 5 DCBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H](O)C[C@]1(O)CCOC1)C2 ZINC000930099759 668956871 /nfs/dbraw/zinc/95/68/71/668956871.db2.gz NUTDUVTZCSLWQR-CZUORRHYSA-N 1 1 322.361 0.855 20 5 DCBDMO O=C(NCC[NH+]1CCC1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000782018054 669075510 /nfs/dbraw/zinc/07/55/10/669075510.db2.gz HRCYWZXLXQWWDR-AWEZNQCLSA-N 1 1 318.333 0.910 20 5 DCBDMO O=[N+]([O-])c1ccc([C@H](O)CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)cc1 ZINC000880072205 669155532 /nfs/dbraw/zinc/15/55/32/669155532.db2.gz WPMJVFXPAKPYKI-ARFHVFGLSA-N 1 1 321.377 0.769 20 5 DCBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000931405403 669193814 /nfs/dbraw/zinc/19/38/14/669193814.db2.gz BGMVFNYPKIQRIM-BXUZGUMPSA-N 1 1 322.365 0.530 20 5 DCBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000931405403 669193815 /nfs/dbraw/zinc/19/38/15/669193815.db2.gz BGMVFNYPKIQRIM-BXUZGUMPSA-N 1 1 322.365 0.530 20 5 DCBDMO C[NH+](C)CC1(O)CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000931482528 669209947 /nfs/dbraw/zinc/20/99/47/669209947.db2.gz JHKNYKFELSCGPO-UHFFFAOYSA-N 1 1 324.381 0.145 20 5 DCBDMO COCC[N@@H+]1[C@H](C)CN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000129029161 669347249 /nfs/dbraw/zinc/34/72/49/669347249.db2.gz IWSQZUVIWNDNRP-BETUJISGSA-N 1 1 311.386 0.832 20 5 DCBDMO COCC[N@@H+]1[C@H](C)CN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000129713620 669538008 /nfs/dbraw/zinc/53/80/08/669538008.db2.gz BQEVQZDWVVRWHQ-BETUJISGSA-N 1 1 311.386 0.832 20 5 DCBDMO NC(=O)C[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000075475928 670014069 /nfs/dbraw/zinc/01/40/69/670014069.db2.gz RYQYAVJSVDOGQM-UHFFFAOYSA-N 1 1 306.322 0.274 20 5 DCBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000808160479 670393374 /nfs/dbraw/zinc/39/33/74/670393374.db2.gz VONZQLCEHSGYAY-NWDGAFQWSA-N 1 1 320.349 0.458 20 5 DCBDMO NC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000840181129 670453888 /nfs/dbraw/zinc/45/38/88/670453888.db2.gz ZEFSIJCLQZODGI-OAHLLOKOSA-N 1 1 315.333 0.878 20 5 DCBDMO CC(C)(CCC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)[N+](=O)[O-] ZINC000856257723 670798664 /nfs/dbraw/zinc/79/86/64/670798664.db2.gz YBKJCYALFWIUFB-ZDUSSCGKSA-N 1 1 313.398 0.880 20 5 DCBDMO O=C1CCC2=C(CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)N1 ZINC000852298488 671115257 /nfs/dbraw/zinc/11/52/57/671115257.db2.gz BPAQDVQUEHYSEO-LBPRGKRZSA-N 1 1 321.337 0.022 20 5 DCBDMO C[C@]1(CO)C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000859831715 671148799 /nfs/dbraw/zinc/14/87/99/671148799.db2.gz ACYHAPQVUHOMPP-HRCADAONSA-N 1 1 324.377 0.941 20 5 DCBDMO O=C(CCn1cc([N+](=O)[O-])cn1)O[C@H]1C[C@@H]([NH+]2CCOCC2)C1 ZINC000821587906 671284841 /nfs/dbraw/zinc/28/48/41/671284841.db2.gz RLOQPUGUKNFZIR-BJHJDKERSA-N 1 1 324.337 0.588 20 5 DCBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000837193557 671850219 /nfs/dbraw/zinc/85/02/19/671850219.db2.gz VPLLWJCLHZFZLV-SNVBAGLBSA-N 1 1 308.338 0.316 20 5 DCBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000837193557 671850223 /nfs/dbraw/zinc/85/02/23/671850223.db2.gz VPLLWJCLHZFZLV-SNVBAGLBSA-N 1 1 308.338 0.316 20 5 DCBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000837192091 671850610 /nfs/dbraw/zinc/85/06/10/671850610.db2.gz RSGNCFFJSSCAER-SNVBAGLBSA-N 1 1 308.338 0.316 20 5 DCBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000837192091 671850613 /nfs/dbraw/zinc/85/06/13/671850613.db2.gz RSGNCFFJSSCAER-SNVBAGLBSA-N 1 1 308.338 0.316 20 5 DCBDMO CC(C)[NH+]1CC(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000837547920 671866395 /nfs/dbraw/zinc/86/63/95/671866395.db2.gz NVKGUVANIMVKJO-UHFFFAOYSA-N 1 1 321.333 0.995 20 5 DCBDMO C[C@H]1CCC[N@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000845917253 672282542 /nfs/dbraw/zinc/28/25/42/672282542.db2.gz JNDUHGSJBXPADJ-JTQLQIEISA-N 1 1 314.367 0.752 20 5 DCBDMO COc1cc(C[NH2+]C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)ccn1 ZINC001670781362 1158000953 /nfs/dbraw/zinc/00/09/53/1158000953.db2.gz IPBGMTLPJPWDDM-VXGBXAGGSA-N 1 1 320.349 0.494 20 5 DCBDMO O=C(NC/C=C/C[NH2+]Cc1cncc(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC001568848529 1160813025 /nfs/dbraw/zinc/81/30/25/1160813025.db2.gz LXOBEYOKDCOEAO-DKZVVXNFSA-N 1 1 308.313 0.648 20 5 DCBDMO COC(=O)[C@@H]([NH3+])CCC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC001573928144 1163589352 /nfs/dbraw/zinc/58/93/52/1163589352.db2.gz PEQFRCZSEVFPDO-NSHDSACASA-N 1 1 309.322 0.800 20 5 DCBDMO CCNC(=O)[C@H](C)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001577785901 1164794870 /nfs/dbraw/zinc/79/48/70/1164794870.db2.gz VWBLRYIILIRDEH-LKFCYVNXSA-N 1 1 308.338 0.410 20 5 DCBDMO CN(C[C@@H]1COCCO1)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001578458942 1165023388 /nfs/dbraw/zinc/02/33/88/1165023388.db2.gz CUWXUQXEDHMPRD-UKRRQHHQSA-N 1 1 323.349 0.643 20 5 DCBDMO COc1ccc([C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2[NH3+])cc1 ZINC001579239197 1165248671 /nfs/dbraw/zinc/24/86/71/1165248671.db2.gz NAKDCYYTJMJEOX-XJFOESAGSA-N 1 1 305.334 0.614 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](C)OC2(CC[NH2+]CC2)C1 ZINC001579877237 1165419707 /nfs/dbraw/zinc/41/97/07/1165419707.db2.gz FBMOIJPWYVWFOY-LBPRGKRZSA-N 1 1 323.397 0.943 20 5 DCBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(OC2C[NH2+]C2)CC1 ZINC001580812178 1165723954 /nfs/dbraw/zinc/72/39/54/1165723954.db2.gz RBPGHPLDOICMNA-UHFFFAOYSA-N 1 1 321.333 0.893 20 5 DCBDMO C[C@H]1C[C@@H](O)C[N@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590213245 1166815671 /nfs/dbraw/zinc/81/56/71/1166815671.db2.gz CWEVBALGIUIPJI-DTWKUNHWSA-N 1 1 304.310 0.730 20 5 DCBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1O ZINC001590310364 1166857741 /nfs/dbraw/zinc/85/77/41/1166857741.db2.gz VPWCGIHGEFWLMG-PELKAZGASA-N 1 1 304.310 0.588 20 5 DCBDMO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC001593483454 1167868487 /nfs/dbraw/zinc/86/84/87/1167868487.db2.gz ZSQRSRFPBWNQMR-IAZYJMLFSA-N 1 1 316.321 0.445 20 5 DCBDMO CC1(C)C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H]1O ZINC001609146780 1170827429 /nfs/dbraw/zinc/82/74/29/1170827429.db2.gz WJVMDTZEHRJJIV-GFCCVEGCSA-N 1 1 318.337 0.978 20 5 DCBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)n1 ZINC001618102458 1171394512 /nfs/dbraw/zinc/39/45/12/1171394512.db2.gz ZJPBCMRIFMVJLJ-WDEREUQCSA-N 1 1 324.385 0.175 20 5 DCBDMO C[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCN1C ZINC001618099943 1171395184 /nfs/dbraw/zinc/39/51/84/1171395184.db2.gz QPGQJCJKHUVBPZ-BXKDBHETSA-N 1 1 323.353 0.060 20 5 DCBDMO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001620435614 1171402674 /nfs/dbraw/zinc/40/26/74/1171402674.db2.gz CIXMVUMOJRSBSW-AAEUAGOBSA-N 1 1 311.294 0.821 20 5 DCBDMO C[C@@]1(CO)C[C@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001620435614 1171402677 /nfs/dbraw/zinc/40/26/77/1171402677.db2.gz CIXMVUMOJRSBSW-AAEUAGOBSA-N 1 1 311.294 0.821 20 5 DCBDMO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001635983112 1171720181 /nfs/dbraw/zinc/72/01/81/1171720181.db2.gz XMLMAKALZLTYFP-VXGBXAGGSA-N 1 1 320.349 0.458 20 5 DCBDMO CCc1[nH+]ccn1CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC001643182950 1171968484 /nfs/dbraw/zinc/96/84/84/1171968484.db2.gz OPNZFKIOXPIYKU-UHFFFAOYSA-N 1 1 304.310 0.960 20 5 DCBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001654229438 1173802782 /nfs/dbraw/zinc/80/27/82/1173802782.db2.gz MXJISZGIWDMXEJ-IEBDPFPHSA-N 1 1 306.322 0.174 20 5 DCBDMO CCOC(=O)[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001654956916 1173814046 /nfs/dbraw/zinc/81/40/46/1173814046.db2.gz XUVJQOMPMAWMHH-PWSUYJOCSA-N 1 1 312.326 0.037 20 5 DCBDMO O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC001654909302 1173814392 /nfs/dbraw/zinc/81/43/92/1173814392.db2.gz HQJXPGWUBVXSJL-NSHDSACASA-N 1 1 306.322 0.375 20 5 DCBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@@H](CO)[C@H](CCO)C1 ZINC001655898379 1173830360 /nfs/dbraw/zinc/83/03/60/1173830360.db2.gz IJFZZGWFFJOKFI-OLZOCXBDSA-N 1 1 310.350 0.896 20 5 DCBDMO Cc1c(NC(=O)CC[N@H+]2C[C@H](O)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC001658943456 1173928348 /nfs/dbraw/zinc/92/83/48/1173928348.db2.gz XJTMTAPXJONVGY-RISCZKNCSA-N 1 1 323.349 0.517 20 5 DCBDMO COc1c(O)ccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC001659472628 1173932300 /nfs/dbraw/zinc/93/23/00/1173932300.db2.gz YOONVZUZZYBZQG-MNOVXSKESA-N 1 1 312.322 0.484 20 5 DCBDMO COc1c(O)ccc(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC001659472628 1173932303 /nfs/dbraw/zinc/93/23/03/1173932303.db2.gz YOONVZUZZYBZQG-MNOVXSKESA-N 1 1 312.322 0.484 20 5 DCBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3C[C@H](CO)[C@H](CO)C3)nc2c1 ZINC001659881126 1173937109 /nfs/dbraw/zinc/93/71/09/1173937109.db2.gz FGVGFWNOUCTWOL-AOOOYVTPSA-N 1 1 306.322 0.504 20 5 DCBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@H](CO)[C@H](CO)C3)nc2c1 ZINC001659881126 1173937114 /nfs/dbraw/zinc/93/71/14/1173937114.db2.gz FGVGFWNOUCTWOL-AOOOYVTPSA-N 1 1 306.322 0.504 20 5 DCBDMO Cn1nncc1C(=O)NCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001663171231 1174272235 /nfs/dbraw/zinc/27/22/35/1174272235.db2.gz KXDUSPVZPCYGIJ-UHFFFAOYSA-N 1 1 318.337 0.585 20 5 DCBDMO Cn1nncc1C(=O)NCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001663171231 1174272240 /nfs/dbraw/zinc/27/22/40/1174272240.db2.gz KXDUSPVZPCYGIJ-UHFFFAOYSA-N 1 1 318.337 0.585 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(CC[NH2+]Cc2cnon2)CC1 ZINC001666211934 1174593563 /nfs/dbraw/zinc/59/35/63/1174593563.db2.gz WPNOLTHWFZOCLB-CHWSQXEVSA-N 1 1 323.353 0.453 20 5 DCBDMO O=C(NCC=CC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ncn[nH]1 ZINC001754184837 1188777115 /nfs/dbraw/zinc/77/71/15/1188777115.db2.gz BIDAPUYQHJISBS-UPHRSURJSA-N 1 1 316.321 0.789 20 5 DCBDMO O=C(NCC=CC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1nc[nH]n1 ZINC001754184837 1188777118 /nfs/dbraw/zinc/77/71/18/1188777118.db2.gz BIDAPUYQHJISBS-UPHRSURJSA-N 1 1 316.321 0.789 20 5 DCBDMO COc1nc(C)c([N+](=O)[O-])c(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC001164665044 719394396 /nfs/dbraw/zinc/39/43/96/719394396.db2.gz FKLBZXZUSYWPEQ-NXEZZACHSA-N 1 1 309.326 0.221 20 5 DCBDMO O=C(NCC[NH2+]CCCCC1CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936918 750149445 /nfs/dbraw/zinc/14/94/45/750149445.db2.gz WUBKEZRAYUGQRY-ZIAGYGMSSA-N 1 1 313.398 0.954 20 5 DCBDMO CC(C)Cn1c(C[N+](=O)[O-])nnc1N1CC[NH+](C2CC2)CC1 ZINC001122729765 767863756 /nfs/dbraw/zinc/86/37/56/767863756.db2.gz CCNIXTBHPCQWSF-UHFFFAOYSA-N 1 1 308.386 0.995 20 5 DCBDMO CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169025859 760560601 /nfs/dbraw/zinc/56/06/01/760560601.db2.gz ZJJQUGLFTNSMKC-KYEXWDHISA-N 1 1 311.382 0.659 20 5 DCBDMO CCOC(=O)c1ncn(C2CC[NH+](CC[N+](=O)[O-])CC2)c1N ZINC001169253727 760615077 /nfs/dbraw/zinc/61/50/77/760615077.db2.gz ZYPZYPNBAWWADV-UHFFFAOYSA-N 1 1 311.342 0.556 20 5 DCBDMO Cc1cc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)on1 ZINC001123423607 767978537 /nfs/dbraw/zinc/97/85/37/767978537.db2.gz MYJASMSPMKXCDI-UHFFFAOYSA-N 1 1 308.298 0.144 20 5 DCBDMO O=C(Cc1nnc[nH]1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001170717260 765276459 /nfs/dbraw/zinc/27/64/59/765276459.db2.gz LUXVIZQLBJFPDC-UHFFFAOYSA-N 1 1 318.337 0.552 20 5 DCBDMO CCN1CC[NH+](CCCNC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001116423327 765869878 /nfs/dbraw/zinc/86/98/78/765869878.db2.gz YFXHGELISHIYTJ-UHFFFAOYSA-N 1 1 324.385 0.086 20 5 DCBDMO C[NH+]1CCN(C2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)CC1 ZINC001119049674 766519465 /nfs/dbraw/zinc/51/94/65/766519465.db2.gz UDDNMBNRWUVWRB-UHFFFAOYSA-N 1 1 322.369 0.170 20 5 DCBDMO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001121697595 767622131 /nfs/dbraw/zinc/62/21/31/767622131.db2.gz CUDRYGULWJUHSS-QWRGUYRKSA-N 1 1 310.358 0.157 20 5 DCBDMO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001121697595 767622138 /nfs/dbraw/zinc/62/21/38/767622138.db2.gz CUDRYGULWJUHSS-QWRGUYRKSA-N 1 1 310.358 0.157 20 5 DCBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001181839734 771357703 /nfs/dbraw/zinc/35/77/03/771357703.db2.gz OOEWTBHZCXJXGE-LLVKDONJSA-N 1 1 308.338 0.309 20 5 DCBDMO O=C(C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1ccccc1 ZINC001157761735 771665058 /nfs/dbraw/zinc/66/50/58/771665058.db2.gz ZVWQMHGMYKRZLQ-CHWSQXEVSA-N 1 1 320.349 0.386 20 5 DCBDMO COc1cc2ncnc(-n3cnc(C[NH3+])n3)c2cc1[N+](=O)[O-] ZINC001157928200 771695497 /nfs/dbraw/zinc/69/54/97/771695497.db2.gz LNCGRCYIRZREOR-UHFFFAOYSA-N 1 1 301.266 0.586 20 5 DCBDMO CCOc1nc(NCCN2CC[NH2+]CC2=O)ccc1[N+](=O)[O-] ZINC001161024455 772151504 /nfs/dbraw/zinc/15/15/04/772151504.db2.gz MDQIJHNAXMDHBH-UHFFFAOYSA-N 1 1 309.326 0.232 20 5 DCBDMO O=[N+]([O-])c1ccc2ncnc(N3CC([NH2+]C4COC4)C3)c2c1 ZINC001164221425 772627598 /nfs/dbraw/zinc/62/75/98/772627598.db2.gz XXYPZMQVDYTEKJ-UHFFFAOYSA-N 1 1 301.306 0.715 20 5 DCBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC([N@H+](C)[C@@H]2CCOC2)C1 ZINC001165205566 772705610 /nfs/dbraw/zinc/70/56/10/772705610.db2.gz MAPFMTOSWXZODM-LLVKDONJSA-N 1 1 308.338 0.446 20 5 DCBDMO CNC(=O)[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001195307810 773373604 /nfs/dbraw/zinc/37/36/04/773373604.db2.gz YFLCIDZLTWNLRZ-RYUDHWBXSA-N 1 1 323.349 0.402 20 5 DCBDMO CC[N@@H+](C)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC001214102563 773925873 /nfs/dbraw/zinc/92/58/73/773925873.db2.gz DNNCROPRQOQQEK-NSHDSACASA-N 1 1 314.367 0.705 20 5 DCBDMO NC(=O)CC[C@H]([NH3+])c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247631555 945564286 /nfs/dbraw/zinc/56/42/86/945564286.db2.gz UIBIRAXESQYZJK-LURJTMIESA-N 1 1 310.245 0.444 20 5 DCBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001319369693 945571776 /nfs/dbraw/zinc/57/17/76/945571776.db2.gz MIQOYCPEYHTDJI-LBPRGKRZSA-N 1 1 322.365 0.557 20 5 DCBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC001320223053 945774445 /nfs/dbraw/zinc/77/44/45/945774445.db2.gz RFRNIQRHSZINGL-CQSZACIVSA-N 1 1 308.338 0.433 20 5 DCBDMO C[N@H+]1CC[C@]2(CCN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)C2)C1 ZINC001324303529 947386634 /nfs/dbraw/zinc/38/66/34/947386634.db2.gz VRXUVGQCZKRJSB-HNNXBMFYSA-N 1 1 320.349 0.311 20 5 DCBDMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCc1ccccc1[N+](=O)[O-] ZINC001263709188 948737664 /nfs/dbraw/zinc/73/76/64/948737664.db2.gz KGHPQTJQZMDIGY-BXUZGUMPSA-N 1 1 304.350 0.599 20 5 DCBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001330308636 950266462 /nfs/dbraw/zinc/26/64/62/950266462.db2.gz ZXGCPNDCISFTBV-NWDGAFQWSA-N 1 1 320.349 0.452 20 5 DCBDMO C[N@@H+](CCCNC(=O)CC(N)=O)Cc1cccc([N+](=O)[O-])c1 ZINC001490169352 950293243 /nfs/dbraw/zinc/29/32/43/950293243.db2.gz MJKILXHVWUIMHX-UHFFFAOYSA-N 1 1 308.338 0.408 20 5 DCBDMO C[N@@H+](CCCNC(=O)c1nnc[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001490264607 950522539 /nfs/dbraw/zinc/52/25/39/950522539.db2.gz QQJRFWFDXBLZAF-UHFFFAOYSA-N 1 1 318.337 0.965 20 5 DCBDMO C[N@H+](CCCNC(=O)c1ncn[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001490264607 950522548 /nfs/dbraw/zinc/52/25/48/950522548.db2.gz QQJRFWFDXBLZAF-UHFFFAOYSA-N 1 1 318.337 0.965 20 5 DCBDMO C[N@@H+](CCCNC(=O)c1ncn[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001490264607 950522559 /nfs/dbraw/zinc/52/25/59/950522559.db2.gz QQJRFWFDXBLZAF-UHFFFAOYSA-N 1 1 318.337 0.965 20 5 DCBDMO C[N@H+](CCCNC(=O)c1nc[nH]n1)Cc1ccc([N+](=O)[O-])cc1 ZINC001490264607 950522572 /nfs/dbraw/zinc/52/25/72/950522572.db2.gz QQJRFWFDXBLZAF-UHFFFAOYSA-N 1 1 318.337 0.965 20 5 DCBDMO C[N@@H+](CCCNC(=O)c1nc[nH]n1)Cc1ccc([N+](=O)[O-])cc1 ZINC001490264607 950522583 /nfs/dbraw/zinc/52/25/83/950522583.db2.gz QQJRFWFDXBLZAF-UHFFFAOYSA-N 1 1 318.337 0.965 20 5 DCBDMO Cc1nc(C[NH2+]CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c(C)o1 ZINC001276002779 952607560 /nfs/dbraw/zinc/60/75/60/952607560.db2.gz YSPIKFNABIWPKN-DGCLKSJQSA-N 1 1 310.354 0.895 20 5 DCBDMO C[N@H+]1CCCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001337480432 952864203 /nfs/dbraw/zinc/86/42/03/952864203.db2.gz LXYPSGKJRZTWLH-NSHDSACASA-N 1 1 308.338 0.357 20 5 DCBDMO Cn1c(CCC[N+](=O)[O-])nnc1N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC001338798536 953052965 /nfs/dbraw/zinc/05/29/65/953052965.db2.gz XSHRGQODBCLIGX-RYUDHWBXSA-N 1 1 308.386 0.555 20 5 DCBDMO O=C(Cn1cc([N+](=O)[O-])cn1)OC[C@H]1CC[N@H+]1C1CCOCC1 ZINC001344369745 953475361 /nfs/dbraw/zinc/47/53/61/953475361.db2.gz YZRFAMPLYHCTDS-GFCCVEGCSA-N 1 1 324.337 0.588 20 5 DCBDMO CN1CCN(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001346110764 953800985 /nfs/dbraw/zinc/80/09/85/953800985.db2.gz TVDXDJGXVDEGGX-HNNXBMFYSA-N 1 1 308.382 0.465 20 5 DCBDMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001346567640 953920523 /nfs/dbraw/zinc/92/05/23/953920523.db2.gz YSWUQINAUIJPHZ-XHDPSFHLSA-N 1 1 316.361 0.825 20 5 DCBDMO COc1cccc([N+](=O)[O-])c1NCC(=O)N1CC[NH+](C)CC1 ZINC001347957162 954181830 /nfs/dbraw/zinc/18/18/30/954181830.db2.gz XQQYURVGGIETEP-UHFFFAOYSA-N 1 1 308.338 0.789 20 5 DCBDMO C[NH+]1CCN(C(=O)CNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001353203978 955977868 /nfs/dbraw/zinc/97/78/68/955977868.db2.gz SLCYGZHRCTZHAO-UHFFFAOYSA-N 1 1 320.349 0.028 20 5 DCBDMO Cn1cc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)nn1 ZINC001356532706 956891359 /nfs/dbraw/zinc/89/13/59/956891359.db2.gz LOZNMHZOHCRIKD-GFCCVEGCSA-N 1 1 307.310 0.253 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)n1 ZINC001449804762 1014688790 /nfs/dbraw/zinc/68/87/90/1014688790.db2.gz WLPPPAXNFNZLLS-GFCCVEGCSA-N 1 1 322.365 0.875 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC001473390245 1016928113 /nfs/dbraw/zinc/92/81/13/1016928113.db2.gz DHXNYBAZUVZGGT-GMXVVIOVSA-N 1 1 307.354 0.686 20 5 DCBDMO CC1(C)[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H]1[NH+]1CCOCC1 ZINC001557319327 1012271419 /nfs/dbraw/zinc/27/14/19/1012271419.db2.gz ZODZZHNOUVSHPR-MNOVXSKESA-N 1 1 323.353 0.547 20 5 DCBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001542147499 1012481914 /nfs/dbraw/zinc/48/19/14/1012481914.db2.gz KIYNWOGJOZPDKC-VIFPVBQESA-N 1 1 306.326 0.899 20 5 DCBDMO C[C@@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC001545547326 1012566136 /nfs/dbraw/zinc/56/61/36/1012566136.db2.gz JDRDWLMCHIJNNB-KCJUWKMLSA-N 1 1 309.326 0.021 20 5 DCBDMO C[C@@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC001545547326 1012566140 /nfs/dbraw/zinc/56/61/40/1012566140.db2.gz JDRDWLMCHIJNNB-KCJUWKMLSA-N 1 1 309.326 0.021 20 5 DCBDMO Cc1cnc(CN(C)CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001502192850 1019798089 /nfs/dbraw/zinc/79/80/89/1019798089.db2.gz HGTIEXPBYBQSAX-VXGBXAGGSA-N 1 1 310.354 0.929 20 5 DCBDMO CNC(=O)[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090524736 185300318 /nfs/dbraw/zinc/30/03/18/185300318.db2.gz ASQODKHFXXBZTQ-GFCCVEGCSA-N 1 1 308.338 0.357 20 5 DCBDMO CNC(=O)[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090524736 185300319 /nfs/dbraw/zinc/30/03/19/185300319.db2.gz ASQODKHFXXBZTQ-GFCCVEGCSA-N 1 1 308.338 0.357 20 5 DCBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000154258484 291211887 /nfs/dbraw/zinc/21/18/87/291211887.db2.gz LXQZWRDTCOJLEA-LBPRGKRZSA-N 1 1 324.385 0.813 20 5 DCBDMO CC(C)Oc1nc(N2CC[NH2+][C@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000566479489 291306562 /nfs/dbraw/zinc/30/65/62/291306562.db2.gz ZPHVTZLWQWKYIX-VIFPVBQESA-N 1 1 309.326 0.041 20 5 DCBDMO C[C@@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000420418990 240025497 /nfs/dbraw/zinc/02/54/97/240025497.db2.gz INGIOZLXSLUBTJ-LLVKDONJSA-N 1 1 313.379 0.761 20 5 DCBDMO Cc1[nH]nc(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c1[N+](=O)[O-] ZINC000567268606 291346375 /nfs/dbraw/zinc/34/63/75/291346375.db2.gz JWTDFNHRXRWTCH-JTQLQIEISA-N 1 1 323.353 0.454 20 5 DCBDMO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1nncn1C ZINC000275132984 212141550 /nfs/dbraw/zinc/14/15/50/212141550.db2.gz CCPDKVRAEJOTPX-JQWIXIFHSA-N 1 1 321.337 0.814 20 5 DCBDMO COC(=O)CCNC(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282443855 217000130 /nfs/dbraw/zinc/00/01/30/217000130.db2.gz LDDFDZRWLIRWKT-UHFFFAOYSA-N 1 1 323.349 0.748 20 5 DCBDMO COC(=O)CCNC(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282443855 217000134 /nfs/dbraw/zinc/00/01/34/217000134.db2.gz LDDFDZRWLIRWKT-UHFFFAOYSA-N 1 1 323.349 0.748 20 5 DCBDMO COCC[N@@H+](CCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272986126 210366911 /nfs/dbraw/zinc/36/69/11/210366911.db2.gz DRRHHHYFDMSHJI-LBPRGKRZSA-N 1 1 314.338 0.275 20 5 DCBDMO Cn1nc([N+](=O)[O-])cc1-c1nc([C@@H]2C[N@H+]3CCC[C@H]3CO2)no1 ZINC000346801709 254096890 /nfs/dbraw/zinc/09/68/90/254096890.db2.gz YLJCGVKAPMXMLR-WPRPVWTQSA-N 1 1 320.309 0.914 20 5 DCBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000347383242 254152298 /nfs/dbraw/zinc/15/22/98/254152298.db2.gz VHADGMGGTJPXDY-ZDUSSCGKSA-N 1 1 321.381 0.982 20 5 DCBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000347383240 254152589 /nfs/dbraw/zinc/15/25/89/254152589.db2.gz VHADGMGGTJPXDY-CYBMUJFWSA-N 1 1 321.381 0.982 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000347610321 254171425 /nfs/dbraw/zinc/17/14/25/254171425.db2.gz WYKXWBGXAVRINR-NSHDSACASA-N 1 1 307.354 0.843 20 5 DCBDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H](C)C1 ZINC000271653946 209098053 /nfs/dbraw/zinc/09/80/53/209098053.db2.gz IRSCKQQLUGYLNE-SNVBAGLBSA-N 1 1 324.337 0.632 20 5 DCBDMO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H](C)C1 ZINC000271653946 209098057 /nfs/dbraw/zinc/09/80/57/209098057.db2.gz IRSCKQQLUGYLNE-SNVBAGLBSA-N 1 1 324.337 0.632 20 5 DCBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285487257 131173384 /nfs/dbraw/zinc/17/33/84/131173384.db2.gz IMMCBTXXAOWXBC-UHFFFAOYSA-N 1 1 324.385 0.416 20 5 DCBDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285487257 131173386 /nfs/dbraw/zinc/17/33/86/131173386.db2.gz IMMCBTXXAOWXBC-UHFFFAOYSA-N 1 1 324.385 0.416 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH+](CCO)CC1 ZINC000009998561 395685760 /nfs/dbraw/zinc/68/57/60/395685760.db2.gz MGXUGWVKLKKTPY-UHFFFAOYSA-N 1 1 322.365 0.452 20 5 DCBDMO Cn1cc[nH+]c1N1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000089926666 395716414 /nfs/dbraw/zinc/71/64/14/395716414.db2.gz CTIIIAMFMMGEEO-UHFFFAOYSA-N 1 1 305.342 0.347 20 5 DCBDMO O=C1CCCN1[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000270571922 395785045 /nfs/dbraw/zinc/78/50/45/395785045.db2.gz OANLPZMTZZOEFM-LBPRGKRZSA-N 1 1 320.349 0.453 20 5 DCBDMO COC(C[N@@H+](CCCO)CCn1ccc([N+](=O)[O-])n1)OC ZINC000273651252 395935824 /nfs/dbraw/zinc/93/58/24/395935824.db2.gz WKHXGCUFDDLFFO-UHFFFAOYSA-N 1 1 302.331 0.095 20 5 DCBDMO COCC[N@@H+](C)CCCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000063802478 395982783 /nfs/dbraw/zinc/98/27/83/395982783.db2.gz RDHCTPQJAMFSCG-UHFFFAOYSA-N 1 1 313.358 0.266 20 5 DCBDMO CNC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248444843 395988302 /nfs/dbraw/zinc/98/83/02/395988302.db2.gz GDJDVIVXKMTYAV-YPMHNXCESA-N 1 1 323.349 0.545 20 5 DCBDMO CNC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248444843 395988304 /nfs/dbraw/zinc/98/83/04/395988304.db2.gz GDJDVIVXKMTYAV-YPMHNXCESA-N 1 1 323.349 0.545 20 5 DCBDMO CC(C)NS(=O)(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000277075087 396048790 /nfs/dbraw/zinc/04/87/90/396048790.db2.gz SWIRWXFVFVSMFB-UHFFFAOYSA-N 1 1 322.412 0.578 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000068467507 396056567 /nfs/dbraw/zinc/05/65/67/396056567.db2.gz HWSCRRKRORNUBE-LLVKDONJSA-N 1 1 307.354 0.700 20 5 DCBDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000155915443 396059045 /nfs/dbraw/zinc/05/90/45/396059045.db2.gz DFVBYCDYDKQHOI-CYBMUJFWSA-N 1 1 313.379 0.761 20 5 DCBDMO C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000156972573 396062805 /nfs/dbraw/zinc/06/28/05/396062805.db2.gz UMRIWKXRVUUPMJ-SMDDNHRTSA-N 1 1 323.349 0.809 20 5 DCBDMO C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000156972573 396062810 /nfs/dbraw/zinc/06/28/10/396062810.db2.gz UMRIWKXRVUUPMJ-SMDDNHRTSA-N 1 1 323.349 0.809 20 5 DCBDMO C[NH+]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000072934004 396139921 /nfs/dbraw/zinc/13/99/21/396139921.db2.gz REGJGRXNBHFKAJ-UHFFFAOYSA-N 1 1 321.333 0.683 20 5 DCBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3ncccn3)CC2)n1 ZINC000176190131 396150380 /nfs/dbraw/zinc/15/03/80/396150380.db2.gz VMADUJIOZZCFHW-UHFFFAOYSA-N 1 1 303.326 0.404 20 5 DCBDMO C[NH+]1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000078296610 396242265 /nfs/dbraw/zinc/24/22/65/396242265.db2.gz KGRXFBVONOPZRC-UHFFFAOYSA-N 1 1 307.306 0.560 20 5 DCBDMO C[N@H+](CCOCCO)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000281913943 396249227 /nfs/dbraw/zinc/24/92/27/396249227.db2.gz BCZLWLZJXIALSU-UHFFFAOYSA-N 1 1 312.322 0.902 20 5 DCBDMO C[N@@H+](CCOCCO)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000281913943 396249229 /nfs/dbraw/zinc/24/92/29/396249229.db2.gz BCZLWLZJXIALSU-UHFFFAOYSA-N 1 1 312.322 0.902 20 5 DCBDMO COCC[N@@H+](CCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000264276274 396266377 /nfs/dbraw/zinc/26/63/77/396266377.db2.gz NRZGKBKMJLZEJH-CYBMUJFWSA-N 1 1 314.338 0.275 20 5 DCBDMO CC[N@@H+](CCO)CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000183918056 396277398 /nfs/dbraw/zinc/27/73/98/396277398.db2.gz OXWZWLXJQHSMPP-UHFFFAOYSA-N 1 1 324.381 0.461 20 5 DCBDMO COCC[N@H+]1CC[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000264562604 396291251 /nfs/dbraw/zinc/29/12/51/396291251.db2.gz QWIKUKYPFIOTGX-GFCCVEGCSA-N 1 1 323.349 0.811 20 5 DCBDMO COCCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184838007 396307594 /nfs/dbraw/zinc/30/75/94/396307594.db2.gz WJJFLGPVTOWBSL-UHFFFAOYSA-N 1 1 311.342 0.270 20 5 DCBDMO COc1ccc(NC(=O)C[N@H+](C)CCC(N)=O)c([N+](=O)[O-])c1 ZINC000286443755 396395573 /nfs/dbraw/zinc/39/55/73/396395573.db2.gz LXKSRGCAXDYVRK-UHFFFAOYSA-N 1 1 310.310 0.349 20 5 DCBDMO COc1ccc(NC(=O)C[N@@H+](C)CCC(N)=O)c([N+](=O)[O-])c1 ZINC000286443755 396395576 /nfs/dbraw/zinc/39/55/76/396395576.db2.gz LXKSRGCAXDYVRK-UHFFFAOYSA-N 1 1 310.310 0.349 20 5 DCBDMO CNC(=O)C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000269331846 396408122 /nfs/dbraw/zinc/40/81/22/396408122.db2.gz AKQGDCSEYMDFEG-UHFFFAOYSA-N 1 1 308.338 0.910 20 5 DCBDMO C[C@H]1CCC[N@@H+](CCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000269634476 396431072 /nfs/dbraw/zinc/43/10/72/396431072.db2.gz QBABFYHJJCCCIG-LBPRGKRZSA-N 1 1 322.365 0.605 20 5 DCBDMO Cc1c(CC(=O)NC[C@H]2C[N@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000269744168 396442151 /nfs/dbraw/zinc/44/21/51/396442151.db2.gz WWQBSBPWNMXQDI-AWEZNQCLSA-N 1 1 320.393 0.808 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](n3cccn3)C2)c1 ZINC000291755351 396510901 /nfs/dbraw/zinc/51/09/01/396510901.db2.gz KVWPBEBTOSKTCE-WCQYABFASA-N 1 1 306.326 0.296 20 5 DCBDMO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000594964880 396541285 /nfs/dbraw/zinc/54/12/85/396541285.db2.gz BVZITNAAQZLLQC-NWDGAFQWSA-N 1 1 300.336 0.496 20 5 DCBDMO O=C1CC[C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)CC[C@@H]2N1 ZINC000595729888 396652843 /nfs/dbraw/zinc/65/28/43/396652843.db2.gz WEXZYUTZODICTK-AAEUAGOBSA-N 1 1 320.349 0.357 20 5 DCBDMO CN1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCC1=O ZINC000595790027 396663247 /nfs/dbraw/zinc/66/32/47/396663247.db2.gz YNKSAIREQAPWJP-ZDUSSCGKSA-N 1 1 323.349 0.499 20 5 DCBDMO CN1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCC1=O ZINC000595790027 396663250 /nfs/dbraw/zinc/66/32/50/396663250.db2.gz YNKSAIREQAPWJP-ZDUSSCGKSA-N 1 1 323.349 0.499 20 5 DCBDMO O=[N+]([O-])c1ccn(CC[N@@H+](CCN2CCOCC2)CC2CC2)n1 ZINC000595806037 396665286 /nfs/dbraw/zinc/66/52/86/396665286.db2.gz DORNZRSRRIVFRC-UHFFFAOYSA-N 1 1 323.397 0.836 20 5 DCBDMO C[NH+](C)C[C@H](CO)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000589101879 396703852 /nfs/dbraw/zinc/70/38/52/396703852.db2.gz PDJDVZIPMDHIDV-SECBINFHSA-N 1 1 317.367 0.333 20 5 DCBDMO COCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596121145 396720245 /nfs/dbraw/zinc/72/02/45/396720245.db2.gz LFDYJCDTNBUSRM-LLVKDONJSA-N 1 1 308.338 0.826 20 5 DCBDMO CC[N@@H+](C)C[C@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304326739 396729867 /nfs/dbraw/zinc/72/98/67/396729867.db2.gz SVRHNZZURZSZDB-OCCSQVGLSA-N 1 1 311.386 0.426 20 5 DCBDMO C[NH+](C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000596242391 396742798 /nfs/dbraw/zinc/74/27/98/396742798.db2.gz GGCAWUOTOSNQHI-VIFPVBQESA-N 1 1 317.367 0.333 20 5 DCBDMO C[C@@H](CO)C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000590206017 396744755 /nfs/dbraw/zinc/74/47/55/396744755.db2.gz LGERTKKLNMQZJJ-GFCCVEGCSA-N 1 1 307.350 0.981 20 5 DCBDMO CC[N@@H+](C)C[C@H](O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000319555144 396811472 /nfs/dbraw/zinc/81/14/72/396811472.db2.gz OIHNFLXYZGWDSY-NSHDSACASA-N 1 1 306.322 0.617 20 5 DCBDMO COc1cc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)cc([N+](=O)[O-])c1C ZINC000600532218 396885628 /nfs/dbraw/zinc/88/56/28/396885628.db2.gz HUSRRYLHIMNBFQ-GFCCVEGCSA-N 1 1 323.349 0.708 20 5 DCBDMO Cc1c(CC(=O)NCC[N@H+]2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000600809503 396947671 /nfs/dbraw/zinc/94/76/71/396947671.db2.gz ZTTNZGVDYRZSBO-ZDUSSCGKSA-N 1 1 307.350 0.629 20 5 DCBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](N3CCOCC3)C2)n1 ZINC000571698605 396979800 /nfs/dbraw/zinc/97/98/00/396979800.db2.gz UDCSMDPSJGOEMP-CYBMUJFWSA-N 1 1 309.370 0.588 20 5 DCBDMO CCc1n[nH]c(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000377593231 397108006 /nfs/dbraw/zinc/10/80/06/397108006.db2.gz MJCXTRYGUJTCBQ-ZJUUUORDSA-N 1 1 323.353 0.473 20 5 DCBDMO CCCc1[nH]nc(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000592306605 397148037 /nfs/dbraw/zinc/14/80/37/397148037.db2.gz CRGMXLUSYMNNGB-WPRPVWTQSA-N 1 1 311.342 0.459 20 5 DCBDMO CN1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H](C[NH3+])C1 ZINC000573962927 397223004 /nfs/dbraw/zinc/22/30/04/397223004.db2.gz PDPWETPTZBWGED-JTQLQIEISA-N 1 1 318.337 0.186 20 5 DCBDMO Cc1cc(N2CC(CN3CC[NH+](C)CC3)C2)ncc1[N+](=O)[O-] ZINC000599109339 397340122 /nfs/dbraw/zinc/34/01/22/397340122.db2.gz UQCNQQYJGXXWOK-UHFFFAOYSA-N 1 1 305.382 0.982 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC([N@@H+]3CC[C@@H](O)C3)C2)n1 ZINC000593503927 397377066 /nfs/dbraw/zinc/37/70/66/397377066.db2.gz MREULVXQXBEYCK-SNVBAGLBSA-N 1 1 322.321 0.032 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC([N@H+]3CC[C@@H](O)C3)C2)n1 ZINC000593503927 397377069 /nfs/dbraw/zinc/37/70/69/397377069.db2.gz MREULVXQXBEYCK-SNVBAGLBSA-N 1 1 322.321 0.032 20 5 DCBDMO COc1cc(CN2CC[N@H+](C)C[C@@H]2CO)c([N+](=O)[O-])cc1F ZINC000602904733 397519436 /nfs/dbraw/zinc/51/94/36/397519436.db2.gz KZWYTLZHRRNDRH-LLVKDONJSA-N 1 1 313.329 0.851 20 5 DCBDMO COc1cc(CN2CC[N@@H+](C)C[C@@H]2CO)c([N+](=O)[O-])cc1F ZINC000602904733 397519439 /nfs/dbraw/zinc/51/94/39/397519439.db2.gz KZWYTLZHRRNDRH-LLVKDONJSA-N 1 1 313.329 0.851 20 5 DCBDMO CN1CCC([N@@H+]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])c[nH]3)C2)CC1 ZINC000609571589 397782375 /nfs/dbraw/zinc/78/23/75/397782375.db2.gz FDZXCNHWLGLINH-NSHDSACASA-N 1 1 321.381 0.821 20 5 DCBDMO CN1CCC([N@H+]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])c[nH]3)C2)CC1 ZINC000609571589 397782380 /nfs/dbraw/zinc/78/23/80/397782380.db2.gz FDZXCNHWLGLINH-NSHDSACASA-N 1 1 321.381 0.821 20 5 DCBDMO Cc1nn(C)c(N2CCC([N@@H+](C)CCCO)CC2)c1[N+](=O)[O-] ZINC000115519835 158161395 /nfs/dbraw/zinc/16/13/95/158161395.db2.gz VAHGHEWGLOBPKP-UHFFFAOYSA-N 1 1 311.386 0.920 20 5 DCBDMO C[C@@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC000330603036 159200610 /nfs/dbraw/zinc/20/06/10/159200610.db2.gz XAKUMVUEOTVAHW-MNOVXSKESA-N 1 1 308.338 0.308 20 5 DCBDMO C[C@@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1C ZINC000330603036 159200612 /nfs/dbraw/zinc/20/06/12/159200612.db2.gz XAKUMVUEOTVAHW-MNOVXSKESA-N 1 1 308.338 0.308 20 5 DCBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000408380450 160096184 /nfs/dbraw/zinc/09/61/84/160096184.db2.gz ZKAZSZPBPVWQPI-QWRGUYRKSA-N 1 1 308.342 0.129 20 5 DCBDMO C[C@H](O)C[N@@H+](CCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000289931057 415738922 /nfs/dbraw/zinc/73/89/22/415738922.db2.gz UVGOGMQIQBAONI-WCQYABFASA-N 1 1 314.338 0.010 20 5 DCBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1[N+](=O)[O-] ZINC000290177755 415772627 /nfs/dbraw/zinc/77/26/27/415772627.db2.gz PIMPQNNZONOIFI-VHSXEESVSA-N 1 1 307.354 0.952 20 5 DCBDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000356905479 416002073 /nfs/dbraw/zinc/00/20/73/416002073.db2.gz RPLLJTYYYUNAPV-GHMZBOCLSA-N 1 1 308.338 0.308 20 5 DCBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000356905479 416002075 /nfs/dbraw/zinc/00/20/75/416002075.db2.gz RPLLJTYYYUNAPV-GHMZBOCLSA-N 1 1 308.338 0.308 20 5 DCBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000174339067 416075968 /nfs/dbraw/zinc/07/59/68/416075968.db2.gz UFYJLMKJCALOSY-WDEREUQCSA-N 1 1 322.365 0.825 20 5 DCBDMO 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669242590 /nfs/dbraw/zinc/24/25/90/669242590.db2.gz KPEGVGQGCPNWDJ-ZDUSSCGKSA-N 1 1 310.354 0.655 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)CC[C@H]21 ZINC000881438908 669343324 /nfs/dbraw/zinc/34/33/24/669343324.db2.gz IYYKZIBZZYEBLC-BXKDBHETSA-N 1 1 306.322 0.862 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1C1OCCO1 ZINC000933901580 669550610 /nfs/dbraw/zinc/55/06/10/669550610.db2.gz WINHTKDIXKJVLG-GFCCVEGCSA-N 1 1 309.322 0.594 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1C1OCCO1 ZINC000933901580 669550612 /nfs/dbraw/zinc/55/06/12/669550612.db2.gz WINHTKDIXKJVLG-GFCCVEGCSA-N 1 1 309.322 0.594 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000934394523 669600683 /nfs/dbraw/zinc/60/06/83/669600683.db2.gz HCDHCEMERSPTDB-ONGXEEELSA-N 1 1 307.354 0.841 20 5 DCBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CCc2ccns2)C1 ZINC000950055939 670489328 /nfs/dbraw/zinc/48/93/28/670489328.db2.gz RKKSWUFOQZWBKB-CHWSQXEVSA-N 1 1 324.406 0.884 20 5 DCBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)n1 ZINC000812323701 670575023 /nfs/dbraw/zinc/57/50/23/670575023.db2.gz LQTZOBLUSKHDPF-WDEREUQCSA-N 1 1 307.354 0.835 20 5 DCBDMO CC[N@@H+](CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(C)C ZINC000859120863 671074724 /nfs/dbraw/zinc/07/47/24/671074724.db2.gz KRVRTEANOXIULY-UHFFFAOYSA-N 1 1 319.387 0.337 20 5 DCBDMO CN1CC[N@H+](C)C[C@@H]1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819048740 671089662 /nfs/dbraw/zinc/08/96/62/671089662.db2.gz ASZYIANIKOJNMZ-GJZGRUSLSA-N 1 1 308.382 0.464 20 5 DCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819048740 671089667 /nfs/dbraw/zinc/08/96/67/671089667.db2.gz ASZYIANIKOJNMZ-GJZGRUSLSA-N 1 1 308.382 0.464 20 5 DCBDMO COC(=O)CC[C@@H]([NH3+])c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000823094342 671368577 /nfs/dbraw/zinc/36/85/77/671368577.db2.gz OXDXGUHPUWUBBN-SSDOTTSWSA-N 1 1 324.297 0.640 20 5 DCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823994568 671415326 /nfs/dbraw/zinc/41/53/26/671415326.db2.gz VANBVKXXRUFDLL-LLVKDONJSA-N 1 1 322.369 0.544 20 5 DCBDMO COCC[N@H+]1CC[C@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825763667 671471548 /nfs/dbraw/zinc/47/15/48/671471548.db2.gz AQTZKBUKWCMVBM-GXTWGEPZSA-N 1 1 323.349 0.465 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000827330234 671523140 /nfs/dbraw/zinc/52/31/40/671523140.db2.gz KYPDUMKZRPHCJI-DGCLKSJQSA-N 1 1 307.354 0.734 20 5 DCBDMO C[C@@H]1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000830014561 671604493 /nfs/dbraw/zinc/60/44/93/671604493.db2.gz WVKHLYRQBRRETP-BXUZGUMPSA-N 1 1 323.349 0.153 20 5 DCBDMO C[C@@H]1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000830014561 671604495 /nfs/dbraw/zinc/60/44/95/671604495.db2.gz WVKHLYRQBRRETP-BXUZGUMPSA-N 1 1 323.349 0.153 20 5 DCBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000841455312 671933397 /nfs/dbraw/zinc/93/33/97/671933397.db2.gz SKMYTLJNSTUOQL-GHMZBOCLSA-N 1 1 322.365 0.704 20 5 DCBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000841455312 671933402 /nfs/dbraw/zinc/93/34/02/671933402.db2.gz SKMYTLJNSTUOQL-GHMZBOCLSA-N 1 1 322.365 0.704 20 5 DCBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2cc(C3CC3)no2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139812 693710346 /nfs/dbraw/zinc/71/03/46/693710346.db2.gz NJLMMMZBZSELFT-BGOOENEXSA-N 1 1 320.349 0.954 20 5 DCBDMO CNC(=O)CCCN(C)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001578550231 1165056420 /nfs/dbraw/zinc/05/64/20/1165056420.db2.gz KTQNLCFVSQYRDL-HNNXBMFYSA-N 1 1 322.365 0.753 20 5 DCBDMO C[N@@H+]1C[C@H]2CCN(c3cc(-c4nn[nH]n4)sc3[N+](=O)[O-])[C@@H]2C1 ZINC001591172425 1167126214 /nfs/dbraw/zinc/12/62/14/1167126214.db2.gz UNGHNSOOTPAFQP-VXNVDRBHSA-N 1 1 321.366 0.977 20 5 DCBDMO C[N@H+]1C[C@H]2CCN(c3cc(-c4nn[nH]n4)sc3[N+](=O)[O-])[C@@H]2C1 ZINC001591172425 1167126217 /nfs/dbraw/zinc/12/62/17/1167126217.db2.gz UNGHNSOOTPAFQP-VXNVDRBHSA-N 1 1 321.366 0.977 20 5 DCBDMO C[N@@H+]1C[C@H]2CN(c3ncc(-c4nn[nH]n4)cc3[N+](=O)[O-])C[C@H]2C1 ZINC001591196368 1167146085 /nfs/dbraw/zinc/14/60/85/1167146085.db2.gz ODNNRBHBNZMXPP-AOOOYVTPSA-N 1 1 316.325 0.168 20 5 DCBDMO CCO[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)C[NH+](C)C ZINC001595150871 1167969275 /nfs/dbraw/zinc/96/92/75/1167969275.db2.gz OEYZSPBHKXEMRS-ZDUSSCGKSA-N 1 1 311.338 0.997 20 5 DCBDMO CC1(C)C[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C[C@H]1O ZINC001609146461 1170826441 /nfs/dbraw/zinc/82/64/41/1170826441.db2.gz ILRQYYBDCVXTRS-GFCCVEGCSA-N 1 1 318.337 0.978 20 5 DCBDMO Cc1noc(C[NH+]2CCC3(CC2)C[C@@H](O)CNC3=O)c1[N+](=O)[O-] ZINC001620636891 1171405145 /nfs/dbraw/zinc/40/51/45/1171405145.db2.gz OVOLEJPZLZIQQJ-SNVBAGLBSA-N 1 1 324.337 0.354 20 5 DCBDMO COc1cc(C(=O)NCC[N@@H+](C)CCO)c([N+](=O)[O-])cc1F ZINC001645402217 1172041134 /nfs/dbraw/zinc/04/11/34/1172041134.db2.gz AEBVWBUPSFHJLJ-UHFFFAOYSA-N 1 1 315.301 0.396 20 5 DCBDMO CON1CCC([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC001646049628 1172232926 /nfs/dbraw/zinc/23/29/26/1172232926.db2.gz QIMCQXMEBOOARD-UHFFFAOYSA-N 1 1 310.354 0.714 20 5 DCBDMO C[N@H+]1CC[C@H]1CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC001646089732 1172247096 /nfs/dbraw/zinc/24/70/96/1172247096.db2.gz NYKOCSJBPWEFIC-NSHDSACASA-N 1 1 307.306 0.606 20 5 DCBDMO Cn1cc([N+](=O)[O-])c(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC001650895628 1173736180 /nfs/dbraw/zinc/73/61/80/1173736180.db2.gz FFRZUGPGEBIKRY-NSHDSACASA-N 1 1 322.369 0.071 20 5 DCBDMO C[N@H+](CCO)CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC001651411954 1173748330 /nfs/dbraw/zinc/74/83/30/1173748330.db2.gz QSOIRKXLICHYCE-UHFFFAOYSA-N 1 1 317.367 0.334 20 5 DCBDMO C[N@@H+](CCO)CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC001651411954 1173748334 /nfs/dbraw/zinc/74/83/34/1173748334.db2.gz QSOIRKXLICHYCE-UHFFFAOYSA-N 1 1 317.367 0.334 20 5 DCBDMO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nnnn1C ZINC001655012652 1173814939 /nfs/dbraw/zinc/81/49/39/1173814939.db2.gz QSGUUUNQSNYTJZ-SECBINFHSA-N 1 1 319.325 0.798 20 5 DCBDMO O=[N+]([O-])c1cnc(NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)nc1 ZINC001655953156 1173831372 /nfs/dbraw/zinc/83/13/72/1173831372.db2.gz OPYJXMUKWIFOFY-GXFFZTMASA-N 1 1 309.326 0.022 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+](C)CCO ZINC001658081013 1173918585 /nfs/dbraw/zinc/91/85/85/1173918585.db2.gz OKVRNGLANHMXBJ-UHFFFAOYSA-N 1 1 312.326 0.649 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001658942435 1173927243 /nfs/dbraw/zinc/92/72/43/1173927243.db2.gz BXEUJRWIMYTRIR-SMDDNHRTSA-N 1 1 323.349 0.517 20 5 DCBDMO CNC(=O)[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC001659076304 1173929759 /nfs/dbraw/zinc/92/97/59/1173929759.db2.gz FYMTXZNJVYWPKD-NSHDSACASA-N 1 1 306.322 0.262 20 5 DCBDMO CC(=O)N[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001659074062 1173930339 /nfs/dbraw/zinc/93/03/39/1173930339.db2.gz ZXZMNYJYUVDVSR-QWHCGFSZSA-N 1 1 323.349 0.545 20 5 DCBDMO COc1c(O)ccc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c1[N+](=O)[O-] ZINC001659472631 1173932388 /nfs/dbraw/zinc/93/23/88/1173932388.db2.gz YOONVZUZZYBZQG-WDEREUQCSA-N 1 1 312.322 0.484 20 5 DCBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c1[N+](=O)[O-] ZINC001659472631 1173932393 /nfs/dbraw/zinc/93/23/93/1173932393.db2.gz YOONVZUZZYBZQG-WDEREUQCSA-N 1 1 312.322 0.484 20 5 DCBDMO Cn1cnc(C(=O)NCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC001713452201 1180829079 /nfs/dbraw/zinc/82/90/79/1180829079.db2.gz JFBLIOPWXNYZBP-UHFFFAOYSA-N 1 1 318.337 0.585 20 5 DCBDMO Cn1cnc(C(=O)NCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC001713452201 1180829088 /nfs/dbraw/zinc/82/90/88/1180829088.db2.gz JFBLIOPWXNYZBP-UHFFFAOYSA-N 1 1 318.337 0.585 20 5 DCBDMO Cn1ccc(C[NH2+]CC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCCC2)n1 ZINC001715094039 1181685689 /nfs/dbraw/zinc/68/56/89/1181685689.db2.gz CXIYRTRLLMMGAZ-CHWSQXEVSA-N 1 1 321.381 0.604 20 5 DCBDMO CN(CC(C)(C)C[NH2+]Cc1cnnn1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001717452557 1182838192 /nfs/dbraw/zinc/83/81/92/1182838192.db2.gz IZYAXPWLVNSABW-VXGBXAGGSA-N 1 1 324.385 0.055 20 5 DCBDMO Cc1cccnc1C[NH2+]CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001723019749 1184250119 /nfs/dbraw/zinc/25/01/19/1184250119.db2.gz GPOGVXJCUUPBRY-TZMCWYRMSA-N 1 1 306.366 0.993 20 5 DCBDMO Cc1cc(C)n(CC[NH2+]C/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001754119145 1188748233 /nfs/dbraw/zinc/74/82/33/1188748233.db2.gz IANGKWBIWDOFEB-LSMGEYOZSA-N 1 1 321.381 0.427 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C/C=C/CNC(=O)c1cnco1 ZINC001754155237 1188762535 /nfs/dbraw/zinc/76/25/35/1188762535.db2.gz OFBBVJPKBAEFLN-NSCUHMNNSA-N 1 1 320.309 0.392 20 5 DCBDMO CN(CCC[NH2+]Cc1cc2n(n1)CCC2)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001754370522 1188834867 /nfs/dbraw/zinc/83/48/67/1188834867.db2.gz FIWQZZMPKVUPOI-ZIAGYGMSSA-N 1 1 321.381 0.433 20 5 DCBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC001164671293 719378588 /nfs/dbraw/zinc/37/85/88/719378588.db2.gz VXOKXAYBLHTFGX-RKDXNWHRSA-N 1 1 313.745 0.866 20 5 DCBDMO COC(=O)c1ccnc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC001164667610 719399605 /nfs/dbraw/zinc/39/96/05/719399605.db2.gz OGQSEZOTLRCXEX-WDEREUQCSA-N 1 1 322.321 0.296 20 5 DCBDMO O=[N+]([O-])c1cccc(C[NH2+]C(CO)CO)c1Br ZINC000236471560 747706047 /nfs/dbraw/zinc/70/60/47/747706047.db2.gz SKNHRNNTHQHYOJ-UHFFFAOYSA-N 1 1 305.128 0.800 20 5 DCBDMO O=C(NCC[NH2+]CCc1c(F)cccc1F)[C@@H]1CC1[N+](=O)[O-] ZINC001126936666 750149904 /nfs/dbraw/zinc/14/99/04/750149904.db2.gz PVDUBVVQUBRMTB-ZWNOBZJWSA-N 1 1 313.304 0.878 20 5 DCBDMO Cn1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001086083320 759693138 /nfs/dbraw/zinc/69/31/38/759693138.db2.gz VEBIXDKSJIWFGX-GWNIPJSYSA-N 1 1 307.354 0.070 20 5 DCBDMO CN(C)CC(=O)N[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169056302 760565539 /nfs/dbraw/zinc/56/55/39/760565539.db2.gz RJUOVUGGKUIIHH-MJBXVCDLSA-N 1 1 312.414 0.574 20 5 DCBDMO Cc1cccc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)n1 ZINC001123725783 768048798 /nfs/dbraw/zinc/04/87/98/768048798.db2.gz CUHSYIYZGFFYSV-UHFFFAOYSA-N 1 1 318.337 0.551 20 5 DCBDMO C[N@H+]1CC[C@@H]1CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001134143474 765382111 /nfs/dbraw/zinc/38/21/11/765382111.db2.gz AEFKBDHJGYZJTA-CYBMUJFWSA-N 1 1 320.349 0.535 20 5 DCBDMO Cc1nn(C)c(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC001116487215 765875449 /nfs/dbraw/zinc/87/54/49/765875449.db2.gz XMWLQSUMXAWFKX-QWRGUYRKSA-N 1 1 307.354 0.993 20 5 DCBDMO C[N@H+](CCNS(C)(=O)=O)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001116491279 765875940 /nfs/dbraw/zinc/87/59/40/765875940.db2.gz KMZFMCVAQHTBPL-LBPRGKRZSA-N 1 1 317.367 0.109 20 5 DCBDMO C[N@@H+](CCNS(C)(=O)=O)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001116491279 765875944 /nfs/dbraw/zinc/87/59/44/765875944.db2.gz KMZFMCVAQHTBPL-LBPRGKRZSA-N 1 1 317.367 0.109 20 5 DCBDMO CC[C@]([NH3+])(CO)Nc1cc([N+](=O)[O-])cc(Br)[n+]1[O-] ZINC001170864819 766155197 /nfs/dbraw/zinc/15/51/97/766155197.db2.gz IUPZBIJYVJYFJD-SECBINFHSA-N 1 1 321.131 0.460 20 5 DCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001136761605 766502660 /nfs/dbraw/zinc/50/26/60/766502660.db2.gz RDOONXLZTVKSRU-LLVKDONJSA-N 1 1 307.354 0.153 20 5 DCBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC001136817158 766546595 /nfs/dbraw/zinc/54/65/95/766546595.db2.gz GNCINMUQSMUYER-UHFFFAOYSA-N 1 1 314.430 0.918 20 5 DCBDMO COc1nc(N2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001157266826 771571083 /nfs/dbraw/zinc/57/10/83/771571083.db2.gz XUWFHFKABGSUJS-NXEZZACHSA-N 1 1 323.353 0.932 20 5 DCBDMO Nc1nc(NC[C@H]2CC[N@H+]2C2CCOCC2)ncc1[N+](=O)[O-] ZINC001187715708 772214540 /nfs/dbraw/zinc/21/45/40/772214540.db2.gz BLXIHWXAXZQCHT-SNVBAGLBSA-N 1 1 308.342 0.632 20 5 DCBDMO O=[N+]([O-])c1c[nH]c2ncnc(NCC[C@H]3CCOC34C[NH2+]C4)c12 ZINC001163087522 772458500 /nfs/dbraw/zinc/45/85/00/772458500.db2.gz NJHBBHJYPJAZBO-VIFPVBQESA-N 1 1 318.337 0.998 20 5 DCBDMO CC(C)OCC[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164494396 772668035 /nfs/dbraw/zinc/66/80/35/772668035.db2.gz IHOFYDLCEXQINX-CHWSQXEVSA-N 1 1 313.398 0.953 20 5 DCBDMO COc1nc(C)c([N+](=O)[O-])c(N2CC([N@@H+](C)[C@@H]3CCOC3)C2)n1 ZINC001165205317 772704592 /nfs/dbraw/zinc/70/45/92/772704592.db2.gz IEBJLHIVMVIHEL-SNVBAGLBSA-N 1 1 323.353 0.611 20 5 DCBDMO Cc1cc(N2CC[NH2+][C@H](C(N)=O)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001166724574 772851247 /nfs/dbraw/zinc/85/12/47/772851247.db2.gz VBBDOIOASBTTRX-ZDUSSCGKSA-N 1 1 315.333 0.715 20 5 DCBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H](c3nn[nH]n3)C2)c1 ZINC001197297139 773727345 /nfs/dbraw/zinc/72/73/45/773727345.db2.gz NYKQPQQNQQWOSH-CMPLNLGQSA-N 1 1 304.310 0.631 20 5 DCBDMO C[N@H+](CCn1cnnc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001197459590 773754918 /nfs/dbraw/zinc/75/49/18/773754918.db2.gz QVIJNCNVTUAJPW-UHFFFAOYSA-N 1 1 304.310 0.417 20 5 DCBDMO C[N@@H+](CCn1cnnc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001197459590 773754921 /nfs/dbraw/zinc/75/49/21/773754921.db2.gz QVIJNCNVTUAJPW-UHFFFAOYSA-N 1 1 304.310 0.417 20 5 DCBDMO CC[N@@H+](C)[C@@H]1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC001214102681 773926081 /nfs/dbraw/zinc/92/60/81/773926081.db2.gz FEDBDORYMSSEHD-SNVBAGLBSA-N 1 1 314.367 0.705 20 5 DCBDMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCc1ccns1 ZINC001480973972 939508004 /nfs/dbraw/zinc/50/80/04/939508004.db2.gz CHWNWVVMRRBZKM-VXGBXAGGSA-N 1 1 312.395 0.789 20 5 DCBDMO CC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCc1ccns1 ZINC001480973972 939508005 /nfs/dbraw/zinc/50/80/05/939508005.db2.gz CHWNWVVMRRBZKM-VXGBXAGGSA-N 1 1 312.395 0.789 20 5 DCBDMO CC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCc1ccns1 ZINC001480973972 939508006 /nfs/dbraw/zinc/50/80/06/939508006.db2.gz CHWNWVVMRRBZKM-VXGBXAGGSA-N 1 1 312.395 0.789 20 5 DCBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC001319591276 945626626 /nfs/dbraw/zinc/62/66/26/945626626.db2.gz GDGPBCXROMBNKY-NWDGAFQWSA-N 1 1 320.349 0.500 20 5 DCBDMO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3C[C@H](O)[C@H](CO)C3)CC2)cc1 ZINC001254474449 946397462 /nfs/dbraw/zinc/39/74/62/946397462.db2.gz QPZIBAGPRPONEB-LRDDRELGSA-N 1 1 321.377 0.849 20 5 DCBDMO C[N@H+](CC(=O)N1CCOCC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254596364 946416103 /nfs/dbraw/zinc/41/61/03/946416103.db2.gz CSCQNCZYCDVXRT-HNNXBMFYSA-N 1 1 319.361 0.853 20 5 DCBDMO C[N@@H+](CC(=O)N1CCOCC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254596364 946416111 /nfs/dbraw/zinc/41/61/11/946416111.db2.gz CSCQNCZYCDVXRT-HNNXBMFYSA-N 1 1 319.361 0.853 20 5 DCBDMO C[C@H]1C[C@H](N(C)C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC001324267982 947371705 /nfs/dbraw/zinc/37/17/05/947371705.db2.gz SZCMZCRRZJWRHB-NWDGAFQWSA-N 1 1 322.365 0.698 20 5 DCBDMO Nc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)cc1[N+](=O)[O-] ZINC001324466960 947433254 /nfs/dbraw/zinc/43/32/54/947433254.db2.gz KMKTVRJKXMIWKR-LBPRGKRZSA-N 1 1 322.365 0.754 20 5 DCBDMO C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(CO)cc1 ZINC001265845969 950028467 /nfs/dbraw/zinc/02/84/67/950028467.db2.gz VXRKKYGRLSJPTP-HUUCEWRRSA-N 1 1 321.377 0.782 20 5 DCBDMO C[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccc(CO)cc1 ZINC001265845969 950028489 /nfs/dbraw/zinc/02/84/89/950028489.db2.gz VXRKKYGRLSJPTP-HUUCEWRRSA-N 1 1 321.377 0.782 20 5 DCBDMO C[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccc(CO)cc1 ZINC001265845969 950028509 /nfs/dbraw/zinc/02/85/09/950028509.db2.gz VXRKKYGRLSJPTP-HUUCEWRRSA-N 1 1 321.377 0.782 20 5 DCBDMO C[NH+]1CCN(CC2CN(C(=O)c3csc([N+](=O)[O-])c3)C2)CC1 ZINC001330422884 950379527 /nfs/dbraw/zinc/37/95/27/950379527.db2.gz GLEHHOUDYHQMCU-UHFFFAOYSA-N 1 1 324.406 0.976 20 5 DCBDMO C[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1O ZINC001576214233 950658570 /nfs/dbraw/zinc/65/85/70/950658570.db2.gz NOWQFGSMGQEUNL-RNCFNFMXSA-N 1 1 318.337 0.978 20 5 DCBDMO O=C(NCC1(NCc2csnn2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001280480491 950899512 /nfs/dbraw/zinc/89/95/12/950899512.db2.gz PZKDKVCAGUTKCN-NXEZZACHSA-N 1 1 311.367 0.332 20 5 DCBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)C[C@]1(O)CCOC1)CC2 ZINC001334613344 952358286 /nfs/dbraw/zinc/35/82/86/952358286.db2.gz IBBZCTIJLWQKCX-HZPDHXFCSA-N 1 1 322.361 0.855 20 5 DCBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)C[C@]1(O)CCOC1)CC2 ZINC001334613344 952358295 /nfs/dbraw/zinc/35/82/95/952358295.db2.gz IBBZCTIJLWQKCX-HZPDHXFCSA-N 1 1 322.361 0.855 20 5 DCBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)C1 ZINC001336943393 952788434 /nfs/dbraw/zinc/78/84/34/952788434.db2.gz SJOJDLIORVESOI-LLVKDONJSA-N 1 1 320.349 0.970 20 5 DCBDMO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1cc([N+](=O)[O-])n[nH]1 ZINC001303634248 960060767 /nfs/dbraw/zinc/06/07/67/960060767.db2.gz XNLYLRFTNVHKMS-WCBMZHEXSA-N 1 1 311.367 0.628 20 5 DCBDMO O=C(N[C@H]1CCC[N@H+]2CCSC[C@H]12)c1cc([N+](=O)[O-])n[nH]1 ZINC001303634248 960060781 /nfs/dbraw/zinc/06/07/81/960060781.db2.gz XNLYLRFTNVHKMS-WCBMZHEXSA-N 1 1 311.367 0.628 20 5 DCBDMO Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC001468291224 1016239687 /nfs/dbraw/zinc/23/96/87/1016239687.db2.gz GYOSMDTZCDSCJT-GFCCVEGCSA-N 1 1 322.365 0.754 20 5 DCBDMO CC1(C)C[C@@H](O)CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001473476857 1016936447 /nfs/dbraw/zinc/93/64/47/1016936447.db2.gz QIMDVQHNMWTGOR-QWHCGFSZSA-N 1 1 312.370 0.635 20 5 DCBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC([NH2+]C2COC2)C1 ZINC001456520075 1011321379 /nfs/dbraw/zinc/32/13/79/1011321379.db2.gz RKYSRBCJGBZJIW-UHFFFAOYSA-N 1 1 305.334 0.727 20 5 DCBDMO COC(=O)c1cc(C(=O)NC[C@H]2CC[N@@H+]2C)cc([N+](=O)[O-])c1 ZINC001535647167 1011956359 /nfs/dbraw/zinc/95/63/59/1011956359.db2.gz YVIPWWSHBDBJBP-LLVKDONJSA-N 1 1 307.306 0.815 20 5 DCBDMO COC(=O)c1cc(C(=O)NC[C@H]2CC[N@H+]2C)cc([N+](=O)[O-])c1 ZINC001535647167 1011956371 /nfs/dbraw/zinc/95/63/71/1011956371.db2.gz YVIPWWSHBDBJBP-LLVKDONJSA-N 1 1 307.306 0.815 20 5 DCBDMO C[C@@H]1[C@@H](Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC[N@H+]1C ZINC001458613480 1012229949 /nfs/dbraw/zinc/22/99/49/1012229949.db2.gz CGWWTDWWMJCOGS-BDAKNGLRSA-N 1 1 314.367 0.747 20 5 DCBDMO C[C@@H]1[C@H](Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC[N@H+]1C ZINC001458613487 1012230262 /nfs/dbraw/zinc/23/02/62/1012230262.db2.gz CGWWTDWWMJCOGS-RKDXNWHRSA-N 1 1 314.367 0.747 20 5 DCBDMO O=[N+]([O-])c1cnc(NC[C@]2(CO)COCC[NH2+]2)c2ccccc21 ZINC001559270916 1012414286 /nfs/dbraw/zinc/41/42/86/1012414286.db2.gz LCJKHEUDEPXRAP-HNNXBMFYSA-N 1 1 318.333 0.906 20 5 DCBDMO CC[N@H+]1CC[C@@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC001559265401 1012415319 /nfs/dbraw/zinc/41/53/19/1012415319.db2.gz OGMRMZQVIWIYRH-SECBINFHSA-N 1 1 314.367 0.748 20 5 DCBDMO CC[N@H+]1C[C@@H](C)N(c2nnc(CCC[N+](=O)[O-])n2C)C[C@@H]1C ZINC001519565659 1017217699 /nfs/dbraw/zinc/21/76/99/1017217699.db2.gz CPBZKIRPKWLXES-NWDGAFQWSA-N 1 1 310.402 0.943 20 5 DCBDMO CN1CC[C@H]([N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000072665168 191211387 /nfs/dbraw/zinc/21/13/87/191211387.db2.gz OITUEUSVWWAKKE-JQWIXIFHSA-N 1 1 305.338 0.707 20 5 DCBDMO CN1CC[C@H]([N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000072665168 191211390 /nfs/dbraw/zinc/21/13/90/191211390.db2.gz OITUEUSVWWAKKE-JQWIXIFHSA-N 1 1 305.338 0.707 20 5 DCBDMO CC[N@@H+](C)C[C@H](O)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000310325618 291252054 /nfs/dbraw/zinc/25/20/54/291252054.db2.gz AKNRWUOREXBQQT-ZETCQYMHSA-N 1 1 307.148 0.866 20 5 DCBDMO NC(=O)c1ccnc(NC[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000567531012 291360428 /nfs/dbraw/zinc/36/04/28/291360428.db2.gz XQKPBJKVCDJLSM-SECBINFHSA-N 1 1 305.338 0.985 20 5 DCBDMO CNC(=O)c1ccc(NC[C@@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000264790733 204158572 /nfs/dbraw/zinc/15/85/72/204158572.db2.gz SIXHHJVAWMFXJM-GFCCVEGCSA-N 1 1 321.381 0.612 20 5 DCBDMO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CC(=O)N(C)C1=O ZINC000282542062 217074877 /nfs/dbraw/zinc/07/48/77/217074877.db2.gz RNQQKNWKTGBCFA-NSHDSACASA-N 1 1 309.326 0.261 20 5 DCBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CC(=O)N(C)C1=O ZINC000282542062 217074881 /nfs/dbraw/zinc/07/48/81/217074881.db2.gz RNQQKNWKTGBCFA-NSHDSACASA-N 1 1 309.326 0.261 20 5 DCBDMO C[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000266122546 205116441 /nfs/dbraw/zinc/11/64/41/205116441.db2.gz JDSDQBBZTHFOHS-ZDUSSCGKSA-N 1 1 320.393 0.889 20 5 DCBDMO CC(C)(C)[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(N)=O ZINC000106444490 194214400 /nfs/dbraw/zinc/21/44/00/194214400.db2.gz WEVVGYLRIVDKDY-NSHDSACASA-N 1 1 308.338 0.683 20 5 DCBDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H](C)C1 ZINC000346185076 254020916 /nfs/dbraw/zinc/02/09/16/254020916.db2.gz NSULXDRDCMOBFD-SDDRHHMPSA-N 1 1 322.369 0.375 20 5 DCBDMO COCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284186728 131058130 /nfs/dbraw/zinc/05/81/30/131058130.db2.gz YRRQQRGHAZDKAY-UHFFFAOYSA-N 1 1 314.317 0.624 20 5 DCBDMO O=[N+]([O-])c1cc(CN2CC[NH+](CCO)CC2)c2c(c1)COCO2 ZINC000015260298 395689965 /nfs/dbraw/zinc/68/99/65/395689965.db2.gz ZWYBFPYXIXVHET-UHFFFAOYSA-N 1 1 323.349 0.571 20 5 DCBDMO CN(C(=O)C[NH+]1CCC(C(N)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000028927640 395696626 /nfs/dbraw/zinc/69/66/26/395696626.db2.gz CTSKTWPNMIQJGB-UHFFFAOYSA-N 1 1 320.349 0.755 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000272503925 395895705 /nfs/dbraw/zinc/89/57/05/395895705.db2.gz OBISSYSFQSMJDC-NEPJUHHUSA-N 1 1 307.354 0.652 20 5 DCBDMO NC(=O)CN1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000056282625 395928664 /nfs/dbraw/zinc/92/86/64/395928664.db2.gz YKYCJVRUFYWAGV-UHFFFAOYSA-N 1 1 322.365 0.467 20 5 DCBDMO CN(CC[N@@H+](C)C1CC1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000274540954 395957173 /nfs/dbraw/zinc/95/71/73/395957173.db2.gz DXTZBEYXJITJBL-UHFFFAOYSA-N 1 1 308.338 0.309 20 5 DCBDMO COc1ccc(C[NH2+]C[C@H]2CC(C(N)=O)=NO2)cc1[N+](=O)[O-] ZINC000276491240 396002796 /nfs/dbraw/zinc/00/27/96/396002796.db2.gz QDJOVQSWJXYBFD-SECBINFHSA-N 1 1 308.294 0.323 20 5 DCBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000278083364 396105115 /nfs/dbraw/zinc/10/51/15/396105115.db2.gz HMTUGVOFYDUNCQ-KWQFWETISA-N 1 1 306.322 0.908 20 5 DCBDMO C[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000171269284 396113008 /nfs/dbraw/zinc/11/30/08/396113008.db2.gz IIKILJVNPSDLMR-CYBMUJFWSA-N 1 1 320.393 0.889 20 5 DCBDMO O=C(CC[N@H+]1C[C@@H](O)[C@@H](O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000278963616 396143131 /nfs/dbraw/zinc/14/31/31/396143131.db2.gz ZTKLCQSRLHFYPX-TXEJJXNPSA-N 1 1 313.285 0.100 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(F)(F)C[NH3+] ZINC000162625795 396082760 /nfs/dbraw/zinc/08/27/60/396082760.db2.gz YECUYYOYJMJQDI-UHFFFAOYSA-N 1 1 309.294 0.776 20 5 DCBDMO CNC(=O)C[NH+]1CCC(Nc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074740048 396171472 /nfs/dbraw/zinc/17/14/72/396171472.db2.gz FWLBTWXYFBDEKX-UHFFFAOYSA-N 1 1 307.354 0.921 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2CN2CCCC2)c1 ZINC000075684543 396185320 /nfs/dbraw/zinc/18/53/20/396185320.db2.gz LSYPDWQZSSNVKJ-UKRRQHHQSA-N 1 1 323.397 0.712 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2CN2CCCC2)c1 ZINC000075684543 396185324 /nfs/dbraw/zinc/18/53/24/396185324.db2.gz LSYPDWQZSSNVKJ-UKRRQHHQSA-N 1 1 323.397 0.712 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC3(C2)CCOCC3)c1 ZINC000076177564 396197376 /nfs/dbraw/zinc/19/73/76/396197376.db2.gz CJTPMVLUFQJYCG-CYBMUJFWSA-N 1 1 310.354 0.655 20 5 DCBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000178523676 396198581 /nfs/dbraw/zinc/19/85/81/396198581.db2.gz UQDSPPHFWITJOM-DGCLKSJQSA-N 1 1 307.354 0.734 20 5 DCBDMO C[C@]1(C(N)=O)CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000280722216 396216868 /nfs/dbraw/zinc/21/68/68/396216868.db2.gz KGLDDILZWOUJKL-AWEZNQCLSA-N 1 1 306.322 0.391 20 5 DCBDMO CNC(=O)C1C[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000184784088 396306008 /nfs/dbraw/zinc/30/60/08/396306008.db2.gz MPFLCEAUCQPMRN-NSHDSACASA-N 1 1 309.322 0.012 20 5 DCBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000269047697 396382950 /nfs/dbraw/zinc/38/29/50/396382950.db2.gz PFOBWPLDRNJFGF-ZWNOBZJWSA-N 1 1 322.369 0.573 20 5 DCBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000269068678 396383657 /nfs/dbraw/zinc/38/36/57/396383657.db2.gz YFMSUKLPXZNBIG-OLZOCXBDSA-N 1 1 322.369 0.717 20 5 DCBDMO CCn1cnc2c(c1=O)CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000286337267 396389358 /nfs/dbraw/zinc/38/93/58/396389358.db2.gz XHLHUFLFWCIOIH-UHFFFAOYSA-N 1 1 318.337 0.426 20 5 DCBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[NH2+]Cc2ccccc21 ZINC000269163422 396390782 /nfs/dbraw/zinc/39/07/82/396390782.db2.gz AZMGZKUDNCNTJQ-UHFFFAOYSA-N 1 1 301.306 0.928 20 5 DCBDMO O=[N+]([O-])c1cc(C[NH+]2[C@@H](CO)CC[C@@H]2CO)c2c(c1)COCO2 ZINC000287462686 396401902 /nfs/dbraw/zinc/40/19/02/396401902.db2.gz RHIIPCHGAXPNQV-CHWSQXEVSA-N 1 1 324.333 0.779 20 5 DCBDMO Cc1ccc(NCCCNC(=O)[C@@H]([NH3+])CC(N)=O)c([N+](=O)[O-])c1 ZINC000269629980 396431092 /nfs/dbraw/zinc/43/10/92/396431092.db2.gz PFABPQVNGCVJRK-JTQLQIEISA-N 1 1 323.353 0.024 20 5 DCBDMO COCC1(O)CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000270367666 396464956 /nfs/dbraw/zinc/46/49/56/396464956.db2.gz LXOGWRWHTPSNPS-UHFFFAOYSA-N 1 1 323.349 0.667 20 5 DCBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000290678066 396469571 /nfs/dbraw/zinc/46/95/71/396469571.db2.gz TUYMMXJWTQSEIM-GFCCVEGCSA-N 1 1 324.381 0.993 20 5 DCBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3nn(C)cc3[N+](=O)[O-])[C@H]2C1 ZINC000293794167 396633038 /nfs/dbraw/zinc/63/30/38/396633038.db2.gz CUUQIDIIYQMHDR-CMPLNLGQSA-N 1 1 323.353 0.264 20 5 DCBDMO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1cc(O)cc([N+](=O)[O-])c1 ZINC000563399071 396728612 /nfs/dbraw/zinc/72/86/12/396728612.db2.gz VBQNGTDVGKGJHW-HNNXBMFYSA-N 1 1 321.333 0.487 20 5 DCBDMO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)S1 ZINC000304285237 396728637 /nfs/dbraw/zinc/72/86/37/396728637.db2.gz FNLYYKBKRCXULF-UMNHJUIQSA-N 1 1 300.384 0.978 20 5 DCBDMO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc(N)c([N+](=O)[O-])n1 ZINC000596231446 396739637 /nfs/dbraw/zinc/73/96/37/396739637.db2.gz IYDNTPBPLBMREY-MNOVXSKESA-N 1 1 307.354 0.871 20 5 DCBDMO C[N@H+]1CCO[C@H]2CN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@H]21 ZINC000610756224 396760126 /nfs/dbraw/zinc/76/01/26/396760126.db2.gz CQZYWBGZKMRVMH-OLZOCXBDSA-N 1 1 306.322 0.213 20 5 DCBDMO COc1ccc(C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000610999291 396801854 /nfs/dbraw/zinc/80/18/54/396801854.db2.gz ZELCWSROIWVWJK-CYBMUJFWSA-N 1 1 321.337 0.688 20 5 DCBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000377511363 397090921 /nfs/dbraw/zinc/09/09/21/397090921.db2.gz JJPSFTVWJGZJMU-GXSJLCMTSA-N 1 1 322.321 0.288 20 5 DCBDMO CCC[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000598341883 397215715 /nfs/dbraw/zinc/21/57/15/397215715.db2.gz HTEPLILGQRJHQT-NSHDSACASA-N 1 1 308.338 0.357 20 5 DCBDMO CC1(C)CC[C@@H](CO)[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000598648069 397267677 /nfs/dbraw/zinc/26/76/77/397267677.db2.gz NQBBXNVEEQOEHK-AAEUAGOBSA-N 1 1 312.370 0.635 20 5 DCBDMO CS(=O)(=O)N1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000400144936 397315801 /nfs/dbraw/zinc/31/58/01/397315801.db2.gz NDERUKFXYNFPJM-VIFPVBQESA-N 1 1 305.381 0.780 20 5 DCBDMO COC(=O)c1ccnc(N2CC[NH+](C[C@H](C)O)CC2)c1[N+](=O)[O-] ZINC000598592826 397254369 /nfs/dbraw/zinc/25/43/69/397254369.db2.gz LSMYYGKGFXSZLS-JTQLQIEISA-N 1 1 324.337 0.279 20 5 DCBDMO COc1cc(CNCC[N@@H+]2CC[C@H](O)C2)c([N+](=O)[O-])cc1O ZINC000599019567 397324672 /nfs/dbraw/zinc/32/46/72/397324672.db2.gz RSISBQMBKGWUOB-NSHDSACASA-N 1 1 311.338 0.465 20 5 DCBDMO COc1cc(CNCC[N@H+]2CC[C@H](O)C2)c([N+](=O)[O-])cc1O ZINC000599019567 397324677 /nfs/dbraw/zinc/32/46/77/397324677.db2.gz RSISBQMBKGWUOB-NSHDSACASA-N 1 1 311.338 0.465 20 5 DCBDMO Cn1ccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000578186778 397401112 /nfs/dbraw/zinc/40/11/12/397401112.db2.gz BJRWMIMMPNXHOK-GFCCVEGCSA-N 1 1 306.322 0.858 20 5 DCBDMO Cc1cccc(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000593855405 397457148 /nfs/dbraw/zinc/45/71/48/397457148.db2.gz PHXBKCRYIQZMFC-GFCCVEGCSA-N 1 1 305.334 0.794 20 5 DCBDMO Cc1cccc(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000593855405 397457153 /nfs/dbraw/zinc/45/71/53/397457153.db2.gz PHXBKCRYIQZMFC-GFCCVEGCSA-N 1 1 305.334 0.794 20 5 DCBDMO C[N@H+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](CO)C1 ZINC000602904101 397519154 /nfs/dbraw/zinc/51/91/54/397519154.db2.gz ISVICUMOEUFGIF-CQSZACIVSA-N 1 1 322.365 0.532 20 5 DCBDMO CN1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](CO)C1 ZINC000602904101 397519156 /nfs/dbraw/zinc/51/91/56/397519156.db2.gz ISVICUMOEUFGIF-CQSZACIVSA-N 1 1 322.365 0.532 20 5 DCBDMO CN1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](CO)C1 ZINC000602904101 397519157 /nfs/dbraw/zinc/51/91/57/397519157.db2.gz ISVICUMOEUFGIF-CQSZACIVSA-N 1 1 322.365 0.532 20 5 DCBDMO C[N@H+]1CC[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000609201972 397763690 /nfs/dbraw/zinc/76/36/90/397763690.db2.gz GODNXDOLEMOJHT-LBPRGKRZSA-N 1 1 319.365 0.590 20 5 DCBDMO CN1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])[nH]3)C2)CC1 ZINC000609571767 397782670 /nfs/dbraw/zinc/78/26/70/397782670.db2.gz IQRVHORJQOTJMU-NSHDSACASA-N 1 1 321.381 0.821 20 5 DCBDMO CN1CCC([N@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])[nH]3)C2)CC1 ZINC000609571767 397782673 /nfs/dbraw/zinc/78/26/73/397782673.db2.gz IQRVHORJQOTJMU-NSHDSACASA-N 1 1 321.381 0.821 20 5 DCBDMO CN(c1c([N+](=O)[O-])ncn1C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000609620242 397786211 /nfs/dbraw/zinc/78/62/11/397786211.db2.gz MSEBOYVHILKDRL-CYBMUJFWSA-N 1 1 322.413 0.933 20 5 DCBDMO CN(c1c([N+](=O)[O-])ncn1C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000609620242 397786216 /nfs/dbraw/zinc/78/62/16/397786216.db2.gz MSEBOYVHILKDRL-CYBMUJFWSA-N 1 1 322.413 0.933 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000609674471 397789797 /nfs/dbraw/zinc/78/97/97/397789797.db2.gz GWIQFENCJBFMOW-GFCCVEGCSA-N 1 1 308.386 0.545 20 5 DCBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)NCC[NH+]1CCCCC1 ZINC000610211849 397806308 /nfs/dbraw/zinc/80/63/08/397806308.db2.gz BIYBIONBRIUWDP-UHFFFAOYSA-N 1 1 314.367 0.754 20 5 DCBDMO COCC[N@@H+](C)CCCNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000065866828 158034286 /nfs/dbraw/zinc/03/42/86/158034286.db2.gz RNTGYQQUXAALND-UHFFFAOYSA-N 1 1 313.358 0.184 20 5 DCBDMO O=C([C@H]1CSC[NH2+]1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169188253 158373683 /nfs/dbraw/zinc/37/36/83/158373683.db2.gz SYNSEQOTZXOZKF-GXSJLCMTSA-N 1 1 323.378 0.665 20 5 DCBDMO NC(=O)c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000316982161 159003735 /nfs/dbraw/zinc/00/37/35/159003735.db2.gz DCBZOQVEZFNNTD-VHRBIJSZSA-N 1 1 305.334 0.896 20 5 DCBDMO Nc1c(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000321806255 159011946 /nfs/dbraw/zinc/01/19/46/159011946.db2.gz YHWIKHHBYHWKDM-QWRGUYRKSA-N 1 1 320.349 0.770 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H](n3cccn3)C2)c1 ZINC000362888529 159273030 /nfs/dbraw/zinc/27/30/30/159273030.db2.gz JVCOKFANGXNWEL-OCCSQVGLSA-N 1 1 320.353 0.686 20 5 DCBDMO NC(=O)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000367987631 159368826 /nfs/dbraw/zinc/36/88/26/159368826.db2.gz GLOTVNBQOJOCRQ-NEPJUHHUSA-N 1 1 323.349 0.532 20 5 DCBDMO CC[N@H+]1CCC[C@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000151655930 287035086 /nfs/dbraw/zinc/03/50/86/287035086.db2.gz CSRGCLYZLAMIJS-GFCCVEGCSA-N 1 1 324.385 0.822 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000247223851 287092113 /nfs/dbraw/zinc/09/21/13/287092113.db2.gz CXUSNFZFFMWROX-RISCZKNCSA-N 1 1 310.354 0.653 20 5 DCBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCO)CC1 ZINC000045311201 415248494 /nfs/dbraw/zinc/24/84/94/415248494.db2.gz ARDWFCVUXMPRCC-GFCCVEGCSA-N 1 1 322.365 0.532 20 5 DCBDMO C[C@@]1(CCCO)CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352884921 415358501 /nfs/dbraw/zinc/35/85/01/415358501.db2.gz BQRXUOPYJPBAMQ-KGLIPLIRSA-N 1 1 312.370 0.779 20 5 DCBDMO COCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H](C)C(N)=O ZINC000078534069 415466886 /nfs/dbraw/zinc/46/68/86/415466886.db2.gz SPZAFBIKIKAOOE-LLVKDONJSA-N 1 1 311.338 0.796 20 5 DCBDMO COCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H](C)C(N)=O ZINC000078534069 415466890 /nfs/dbraw/zinc/46/68/90/415466890.db2.gz SPZAFBIKIKAOOE-LLVKDONJSA-N 1 1 311.338 0.796 20 5 DCBDMO CN(CCn1cc([N+](=O)[O-])cn1)CC[N@H+](C)C1CCN(C)CC1 ZINC000089269222 415522902 /nfs/dbraw/zinc/52/29/02/415522902.db2.gz MJXUDEBETXSUAU-UHFFFAOYSA-N 1 1 324.429 0.749 20 5 DCBDMO CN(CCn1cc([N+](=O)[O-])cn1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000089269222 415522920 /nfs/dbraw/zinc/52/29/20/415522920.db2.gz MJXUDEBETXSUAU-UHFFFAOYSA-N 1 1 324.429 0.749 20 5 DCBDMO NC(=O)CC[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090525194 415532304 /nfs/dbraw/zinc/53/23/04/415532304.db2.gz DQBZSCIHHYDLIP-LBPRGKRZSA-N 1 1 322.365 0.734 20 5 DCBDMO Cc1nnc([C@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000353655807 415615470 /nfs/dbraw/zinc/61/54/70/415615470.db2.gz GVAGFKQSQALJCF-XVKPBYJWSA-N 1 1 312.355 0.663 20 5 DCBDMO CO[C@H]1COC[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000290106074 415761627 /nfs/dbraw/zinc/76/16/27/415761627.db2.gz JEURQJPYERLCNC-JSGCOSHPSA-N 1 1 321.333 0.487 20 5 DCBDMO C[C@H]1[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)CCC[N@H+]1C ZINC000343887362 415766572 /nfs/dbraw/zinc/76/65/72/415766572.db2.gz FVXGUAQFSAFGEW-CMPLNLGQSA-N 1 1 310.358 0.573 20 5 DCBDMO CS(=O)(=O)[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000337499999 415969430 /nfs/dbraw/zinc/96/94/30/415969430.db2.gz ANZOQDLDSKNDED-NSHDSACASA-N 1 1 316.383 0.690 20 5 DCBDMO CS(=O)(=O)[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000337499999 415969434 /nfs/dbraw/zinc/96/94/34/415969434.db2.gz ANZOQDLDSKNDED-NSHDSACASA-N 1 1 316.383 0.690 20 5 DCBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357912011 416152152 /nfs/dbraw/zinc/15/21/52/416152152.db2.gz NYGXUNJKOYIYGI-SNVBAGLBSA-N 1 1 311.342 0.169 20 5 DCBDMO C[C@@H]1C[N@@H+](C)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000330662388 416225054 /nfs/dbraw/zinc/22/50/54/416225054.db2.gz DHJVDCBGBWIHCE-TZMCWYRMSA-N 1 1 309.366 0.970 20 5 DCBDMO C[C@@H]1CN(C)CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000330662388 416225056 /nfs/dbraw/zinc/22/50/56/416225056.db2.gz DHJVDCBGBWIHCE-TZMCWYRMSA-N 1 1 309.366 0.970 20 5 DCBDMO C[C@@H]1CN(C)CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000330662388 416225059 /nfs/dbraw/zinc/22/50/59/416225059.db2.gz DHJVDCBGBWIHCE-TZMCWYRMSA-N 1 1 309.366 0.970 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000192490528 416307123 /nfs/dbraw/zinc/30/71/23/416307123.db2.gz JQAMEDAPDPRKAX-TXEJJXNPSA-N 1 1 307.354 0.510 20 5 DCBDMO COCC[NH2+]CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000193363097 416315939 /nfs/dbraw/zinc/31/59/39/416315939.db2.gz YCYFGVYRTOTUDT-UHFFFAOYSA-N 1 1 321.330 0.248 20 5 DCBDMO Cc1ccc(NC(=O)C(=O)NCC(F)(F)C[NH3+])cc1[N+](=O)[O-] ZINC000415605634 416348727 /nfs/dbraw/zinc/34/87/27/416348727.db2.gz HQFPLMYDWPWROK-UHFFFAOYSA-N 1 1 316.264 0.552 20 5 DCBDMO COC(=O)COc1ccc(C[NH2+]C2(C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000361587441 416454167 /nfs/dbraw/zinc/45/41/67/416454167.db2.gz PAVPTKDYGSHGET-UHFFFAOYSA-N 1 1 323.305 0.254 20 5 DCBDMO Cn1ccnc1[C@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000536068893 416535671 /nfs/dbraw/zinc/53/56/71/416535671.db2.gz PZSHCYJOAORYQQ-AAEUAGOBSA-N 1 1 320.353 0.375 20 5 DCBDMO CNc1nccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000594236374 416558680 /nfs/dbraw/zinc/55/86/80/416558680.db2.gz NDMKCWYKDNORAR-GHMZBOCLSA-N 1 1 319.365 1.388 20 5 DCBDMO C[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000547730819 416680389 /nfs/dbraw/zinc/68/03/89/416680389.db2.gz ADIQHSNEYDNCDZ-SNVBAGLBSA-N 1 1 323.353 0.270 20 5 DCBDMO Cc1nn(C)c(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000425057540 416680782 /nfs/dbraw/zinc/68/07/82/416680782.db2.gz MOFVEQZONZCUTP-WDEREUQCSA-N 1 1 307.354 0.803 20 5 DCBDMO COCC[N@@H+](C)C[C@@H](O)COc1ccc([N+](=O)[O-])c(CO)c1 ZINC000518563092 416865556 /nfs/dbraw/zinc/86/55/56/416865556.db2.gz UZRFBNBQVUZPAG-GFCCVEGCSA-N 1 1 314.338 0.405 20 5 DCBDMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC2(CCC2)O1 ZINC000568981383 417199541 /nfs/dbraw/zinc/19/95/41/417199541.db2.gz RSOBCJJQEXRFET-DGCLKSJQSA-N 1 1 310.354 0.796 20 5 DCBDMO C[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@H+](C2CC2)C1 ZINC000452171011 417456831 /nfs/dbraw/zinc/45/68/31/417456831.db2.gz NMYMIOYCKYRCDX-LLVKDONJSA-N 1 1 307.354 0.734 20 5 DCBDMO CN(C)C(=O)O[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000296618097 226053397 /nfs/dbraw/zinc/05/33/97/226053397.db2.gz GYVYHCNAUBHTIC-LBPRGKRZSA-N 1 1 324.337 0.529 20 5 DCBDMO CN(C)C(=O)O[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000296618097 226053402 /nfs/dbraw/zinc/05/34/02/226053402.db2.gz GYVYHCNAUBHTIC-LBPRGKRZSA-N 1 1 324.337 0.529 20 5 DCBDMO Cc1cc(NC(=O)C(=O)NCC[NH+]2CCC2)ccc1[N+](=O)[O-] ZINC000411346801 262169486 /nfs/dbraw/zinc/16/94/86/262169486.db2.gz NEGFYHSWNWUDIP-UHFFFAOYSA-N 1 1 306.322 0.664 20 5 DCBDMO C[C@@H](O)C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420977058 262387846 /nfs/dbraw/zinc/38/78/46/262387846.db2.gz UPISVILYBSSJHG-SNVBAGLBSA-N 1 1 317.367 0.186 20 5 DCBDMO CCc1nn(C)c(N(C)CCC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000360904158 271164523 /nfs/dbraw/zinc/16/45/23/271164523.db2.gz OTBFDBSKANLZKQ-UHFFFAOYSA-N 1 1 324.429 0.964 20 5 DCBDMO COCC[NH+]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420585231 271374956 /nfs/dbraw/zinc/37/49/56/271374956.db2.gz MNTUYUVJBNJPFM-UHFFFAOYSA-N 1 1 308.338 0.462 20 5 DCBDMO CCOCC[C@@H](O)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298134182 273701486 /nfs/dbraw/zinc/70/14/86/273701486.db2.gz QFTALRWRMFJMDH-CYBMUJFWSA-N 1 1 324.381 0.899 20 5 DCBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000547728273 288073310 /nfs/dbraw/zinc/07/33/10/288073310.db2.gz GESWABUAIHKJOQ-SNVBAGLBSA-N 1 1 311.342 0.405 20 5 DCBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000548390140 288138922 /nfs/dbraw/zinc/13/89/22/288138922.db2.gz GJQULHJTUKYWQI-UHFFFAOYSA-N 1 1 316.321 0.863 20 5 DCBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000266318778 521493916 /nfs/dbraw/zinc/49/39/16/521493916.db2.gz RPYUDJIMMMZQBH-GFCCVEGCSA-N 1 1 309.370 0.982 20 5 DCBDMO C[N@@H+](CCCn1ccnc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000130373768 522803643 /nfs/dbraw/zinc/80/36/43/522803643.db2.gz GYTBCFGOEOTPNB-CYBMUJFWSA-N 1 1 308.342 0.371 20 5 DCBDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246965501 525085161 /nfs/dbraw/zinc/08/51/61/525085161.db2.gz LKWOWJOBNYTJIQ-YRGRVCCFSA-N 1 1 309.370 0.321 20 5 DCBDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246965482 525089286 /nfs/dbraw/zinc/08/92/86/525089286.db2.gz LKWOWJOBNYTJIQ-MBNYWOFBSA-N 1 1 309.370 0.321 20 5 DCBDMO C[N@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736859390 598499242 /nfs/dbraw/zinc/49/92/42/598499242.db2.gz GVOVTPQHCUZYLC-QMMMGPOBSA-N 1 1 304.314 0.676 20 5 DCBDMO CC[N@@H+]1C[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000821241860 606719944 /nfs/dbraw/zinc/71/99/44/606719944.db2.gz PIOLKXQEWHPXRW-WPRPVWTQSA-N 1 1 318.341 0.922 20 5 DCBDMO NC(=O)CC(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000980872476 661033179 /nfs/dbraw/zinc/03/31/79/661033179.db2.gz KLMZNPWCHZYLNI-UHFFFAOYSA-N 1 1 320.349 0.505 20 5 DCBDMO NC(=O)CC(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000980872476 661033181 /nfs/dbraw/zinc/03/31/81/661033181.db2.gz KLMZNPWCHZYLNI-UHFFFAOYSA-N 1 1 320.349 0.505 20 5 DCBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ncn[nH]1 ZINC001020781053 658461217 /nfs/dbraw/zinc/46/12/17/658461217.db2.gz DLQVCMZLEHPERE-XYPYZODXSA-N 1 1 316.321 0.764 20 5 DCBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1nc[nH]n1 ZINC001020781053 658461219 /nfs/dbraw/zinc/46/12/19/658461219.db2.gz DLQVCMZLEHPERE-XYPYZODXSA-N 1 1 316.321 0.764 20 5 DCBDMO O=C(CC[N@@H+]1CCCNC(=O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000726792975 661671975 /nfs/dbraw/zinc/67/19/75/661671975.db2.gz XVCZWLLMGUETMN-UHFFFAOYSA-N 1 1 306.322 0.745 20 5 DCBDMO O=C(CC[N@H+]1CCCNC(=O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000726792975 661671977 /nfs/dbraw/zinc/67/19/77/661671977.db2.gz XVCZWLLMGUETMN-UHFFFAOYSA-N 1 1 306.322 0.745 20 5 DCBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[N@H+](C)[C@@H](CO)C1 ZINC000894885918 662026815 /nfs/dbraw/zinc/02/68/15/662026815.db2.gz STAOVNUXRSVAJK-LLVKDONJSA-N 1 1 323.349 0.803 20 5 DCBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000894885918 662026817 /nfs/dbraw/zinc/02/68/17/662026817.db2.gz STAOVNUXRSVAJK-LLVKDONJSA-N 1 1 323.349 0.803 20 5 DCBDMO C[N@@H+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@@H]1CO ZINC000894885899 662026915 /nfs/dbraw/zinc/02/69/15/662026915.db2.gz SRJPCJIISXWPAW-LLVKDONJSA-N 1 1 303.322 0.651 20 5 DCBDMO C[N@H+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@@H]1CO ZINC000894885899 662026917 /nfs/dbraw/zinc/02/69/17/662026917.db2.gz SRJPCJIISXWPAW-LLVKDONJSA-N 1 1 303.322 0.651 20 5 DCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC1CCC1 ZINC001029304624 662098017 /nfs/dbraw/zinc/09/80/17/662098017.db2.gz CGOOCSDOFXQXSX-AYRXBEOTSA-N 1 1 323.393 0.896 20 5 DCBDMO CCc1nn(C)c(N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000895247495 662156041 /nfs/dbraw/zinc/15/60/41/662156041.db2.gz UTZBDABLKWUGQE-JQWIXIFHSA-N 1 1 310.402 0.937 20 5 DCBDMO Cn1c2cc(NC[C@H]3CC[N@H+]3C)c([N+](=O)[O-])cc2n(C)c1=O ZINC000895768478 662213495 /nfs/dbraw/zinc/21/34/95/662213495.db2.gz CLLLEGVYHAKXNY-SECBINFHSA-N 1 1 305.338 0.901 20 5 DCBDMO C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896563216 662291400 /nfs/dbraw/zinc/29/14/00/662291400.db2.gz KMKMADZPOVVSMR-DOMZBBRYSA-N 1 1 320.393 0.888 20 5 DCBDMO C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896563216 662291402 /nfs/dbraw/zinc/29/14/02/662291402.db2.gz KMKMADZPOVVSMR-DOMZBBRYSA-N 1 1 320.393 0.888 20 5 DCBDMO C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896563216 662291404 /nfs/dbraw/zinc/29/14/04/662291404.db2.gz KMKMADZPOVVSMR-DOMZBBRYSA-N 1 1 320.393 0.888 20 5 DCBDMO Cn1cncc1C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985431913 662443768 /nfs/dbraw/zinc/44/37/68/662443768.db2.gz UOKCGAYIMNTNHP-ZIAGYGMSSA-N 1 1 321.381 0.508 20 5 DCBDMO Cn1cncc1C[N@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985431913 662443770 /nfs/dbraw/zinc/44/37/70/662443770.db2.gz UOKCGAYIMNTNHP-ZIAGYGMSSA-N 1 1 321.381 0.508 20 5 DCBDMO Cn1cncc1C[N@@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985431913 662443772 /nfs/dbraw/zinc/44/37/72/662443772.db2.gz UOKCGAYIMNTNHP-ZIAGYGMSSA-N 1 1 321.381 0.508 20 5 DCBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)C(N)=O)CC1 ZINC000985613208 662492567 /nfs/dbraw/zinc/49/25/67/662492567.db2.gz LESCYBCPXDMRNB-UHFFFAOYSA-N 1 1 320.349 0.503 20 5 DCBDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000900332563 663234545 /nfs/dbraw/zinc/23/45/45/663234545.db2.gz YXQKIGYTANCJIC-HIFRSBDPSA-N 1 1 307.350 0.709 20 5 DCBDMO CC(C)CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC000941407567 665991315 /nfs/dbraw/zinc/99/13/15/665991315.db2.gz SPOLSWSRBJDNDI-HUUCEWRRSA-N 1 1 324.425 0.526 20 5 DCBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)n1 ZINC000913284102 664298057 /nfs/dbraw/zinc/29/80/57/664298057.db2.gz MKIRRIHALIMLJF-OKILXGFUSA-N 1 1 307.354 0.742 20 5 DCBDMO NC(=O)C[NH+]1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000731454721 664864438 /nfs/dbraw/zinc/86/44/38/664864438.db2.gz LANPZYLWDAKDMB-UHFFFAOYSA-N 1 1 324.312 0.413 20 5 DCBDMO Cc1ncc(C[NH+]2CCC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001001399080 666042093 /nfs/dbraw/zinc/04/20/93/666042093.db2.gz IPWYWMPREFZOOJ-ZIAGYGMSSA-N 1 1 322.365 0.976 20 5 DCBDMO O=C(NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1)c1cnon1 ZINC001032063782 666247546 /nfs/dbraw/zinc/24/75/46/666247546.db2.gz OQSWOXXUKJWTPY-UHFFFAOYSA-N 1 1 317.305 0.840 20 5 DCBDMO CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+](C)CC1 ZINC000888998619 667948030 /nfs/dbraw/zinc/94/80/30/667948030.db2.gz BSDVJOLASKWBTQ-UHFFFAOYSA-N 1 1 306.366 0.914 20 5 DCBDMO CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+](C)CC1 ZINC000888998619 667948034 /nfs/dbraw/zinc/94/80/34/667948034.db2.gz BSDVJOLASKWBTQ-UHFFFAOYSA-N 1 1 306.366 0.914 20 5 DCBDMO O=[N+]([O-])c1c(N2CC[N@@H+]3CCOC[C@@H]3C2)nc2ccccn21 ZINC000754083012 668041094 /nfs/dbraw/zinc/04/10/94/668041094.db2.gz SAMVLRAMHGMCOH-NSHDSACASA-N 1 1 303.322 0.763 20 5 DCBDMO O=[N+]([O-])c1c(N2CC[N@H+]3CCOC[C@@H]3C2)nc2ccccn21 ZINC000754083012 668041096 /nfs/dbraw/zinc/04/10/96/668041096.db2.gz SAMVLRAMHGMCOH-NSHDSACASA-N 1 1 303.322 0.763 20 5 DCBDMO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839707347 668135510 /nfs/dbraw/zinc/13/55/10/668135510.db2.gz SYFMGFQGHJJVEM-SYQHCUMBSA-N 1 1 311.382 0.536 20 5 DCBDMO C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000928556895 668599254 /nfs/dbraw/zinc/59/92/54/668599254.db2.gz CTMMDBCNYMZTRP-YGRLFVJLSA-N 1 1 318.333 0.908 20 5 DCBDMO C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000928556895 668599257 /nfs/dbraw/zinc/59/92/57/668599257.db2.gz CTMMDBCNYMZTRP-YGRLFVJLSA-N 1 1 318.333 0.908 20 5 DCBDMO CN(C)C(=O)NCC[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000777715693 668890676 /nfs/dbraw/zinc/89/06/76/668890676.db2.gz GRPOVPGFCQLCBN-ZDUSSCGKSA-N 1 1 310.354 0.831 20 5 DCBDMO C[N@H+]1CC[C@H]2CN(C(=O)Nc3ccncc3[N+](=O)[O-])CC[C@@H]21 ZINC000879072125 668979641 /nfs/dbraw/zinc/97/96/41/668979641.db2.gz RNCTUXOXUYNREB-JQWIXIFHSA-N 1 1 305.338 0.970 20 5 DCBDMO CN1C(=O)[C@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])C[C@H]2C1=O ZINC000879532194 669056219 /nfs/dbraw/zinc/05/62/19/669056219.db2.gz SPFMVMRAODXCQS-PHIMTYICSA-N 1 1 319.317 0.520 20 5 DCBDMO CN1C(=O)[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@H]2C1=O ZINC000879535985 669059572 /nfs/dbraw/zinc/05/95/72/669059572.db2.gz XJSHGMBNUCHATK-AOOOYVTPSA-N 1 1 307.281 0.781 20 5 DCBDMO O=[N+]([O-])c1ccc([C@@H](O)CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)cc1 ZINC000880072207 669154928 /nfs/dbraw/zinc/15/49/28/669154928.db2.gz WPMJVFXPAKPYKI-XHSDSOJGSA-N 1 1 321.377 0.769 20 5 DCBDMO O=[N+]([O-])c1ccc(O)cc1CN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000880072052 669155278 /nfs/dbraw/zinc/15/52/78/669155278.db2.gz TXQGJLSYMIBGKH-QWHCGFSZSA-N 1 1 307.350 0.941 20 5 DCBDMO O=[N+]([O-])c1ccc(O)cc1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000880072052 669155280 /nfs/dbraw/zinc/15/52/80/669155280.db2.gz TXQGJLSYMIBGKH-QWHCGFSZSA-N 1 1 307.350 0.941 20 5 DCBDMO CN1C[C@]2(C)C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000931309639 669176667 /nfs/dbraw/zinc/17/66/67/669176667.db2.gz FFJORIVZQXHPPC-SOUVJXGZSA-N 1 1 323.397 0.426 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@@H+](C)[C@@H](CO)C1 ZINC000931407497 669195194 /nfs/dbraw/zinc/19/51/94/669195194.db2.gz URPPJBUMCFJYEU-CYBMUJFWSA-N 1 1 322.365 0.450 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@H+](C)[C@@H](CO)C1 ZINC000931407497 669195198 /nfs/dbraw/zinc/19/51/98/669195198.db2.gz URPPJBUMCFJYEU-CYBMUJFWSA-N 1 1 322.365 0.450 20 5 DCBDMO C[C@@H]([NH2+]C[C@H](O)CN1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000932179420 669329233 /nfs/dbraw/zinc/32/92/33/669329233.db2.gz GUPVQQQXPKCSTN-CJNGLKHVSA-N 1 1 322.409 0.854 20 5 DCBDMO Cc1nn(C[N@H+](C)C[C@H]2COCCO2)c2ncc([N+](=O)[O-])cc12 ZINC000853558141 671244939 /nfs/dbraw/zinc/24/49/39/671244939.db2.gz RAALCYGCPWFQNP-LBPRGKRZSA-N 1 1 321.337 0.953 20 5 DCBDMO Cc1nn(C[N@@H+](C)C[C@H]2COCCO2)c2ncc([N+](=O)[O-])cc12 ZINC000853558141 671244945 /nfs/dbraw/zinc/24/49/45/671244945.db2.gz RAALCYGCPWFQNP-LBPRGKRZSA-N 1 1 321.337 0.953 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000828958385 671564159 /nfs/dbraw/zinc/56/41/59/671564159.db2.gz DQIGOPSBISATBL-NEPJUHHUSA-N 1 1 307.354 0.795 20 5 DCBDMO O=[N+]([O-])c1cccc([C@@H](O)CN[C@H](CO)C[NH+]2CCCC2)c1 ZINC000843118117 672064053 /nfs/dbraw/zinc/06/40/53/672064053.db2.gz WOYBRPGOBFCMFY-ZFWWWQNUSA-N 1 1 309.366 0.675 20 5 DCBDMO Cc1nc([N+](=O)[O-])c(-c2noc(C[NH2+]C[C@H]3CCCO3)n2)n1C ZINC000843221639 672071579 /nfs/dbraw/zinc/07/15/79/672071579.db2.gz LEUIWSABDKDOFD-SECBINFHSA-N 1 1 322.325 0.955 20 5 DCBDMO Cc1nn(CN2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cc1[N+](=O)[O-] ZINC000902641710 685458766 /nfs/dbraw/zinc/45/87/66/685458766.db2.gz AEUWMLYTQCWFGK-QWHCGFSZSA-N 1 1 309.370 0.588 20 5 DCBDMO COCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001040699833 694597290 /nfs/dbraw/zinc/59/72/90/694597290.db2.gz GQTVBJCJUYIBQP-CHWSQXEVSA-N 1 1 311.382 0.613 20 5 DCBDMO Cc1cncc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001020139094 693709922 /nfs/dbraw/zinc/70/99/22/693709922.db2.gz QFEJWCYJKPIBRT-AAVRWANBSA-N 1 1 304.350 0.792 20 5 DCBDMO CN(C)c1ccccc1C[NH2+]CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001691315204 1157639202 /nfs/dbraw/zinc/63/92/02/1157639202.db2.gz YLCRTUXEEHFPRW-UKRRQHHQSA-N 1 1 320.393 0.966 20 5 DCBDMO CN(C)c1cccc(C[NH2+]CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001567494273 1160395367 /nfs/dbraw/zinc/39/53/67/1160395367.db2.gz WBDYIBNPVBBQKA-HUUCEWRRSA-N 1 1 320.393 0.966 20 5 DCBDMO CCCc1[nH]nc(C(=O)N2CC[C@@]3(C2)C[NH2+]CCO3)c1[N+](=O)[O-] ZINC001577603650 1164735961 /nfs/dbraw/zinc/73/59/61/1164735961.db2.gz TZUOXQQXFCPZNX-AWEZNQCLSA-N 1 1 323.353 0.475 20 5 DCBDMO CC[N@H+]1CC[C@H]1CNC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC001577766973 1164786863 /nfs/dbraw/zinc/78/68/63/1164786863.db2.gz FAUJYTAHMXKVSJ-ZFWWWQNUSA-N 1 1 306.366 0.979 20 5 DCBDMO CN(C[C@H]1COCCO1)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001578458943 1165022872 /nfs/dbraw/zinc/02/28/72/1165022872.db2.gz CUWXUQXEDHMPRD-ZFWWWQNUSA-N 1 1 323.349 0.643 20 5 DCBDMO Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)CN1CC[NH2+]CC1=O ZINC001579734253 1165383960 /nfs/dbraw/zinc/38/39/60/1165383960.db2.gz BMGXFRXYGBDEQK-UHFFFAOYSA-N 1 1 321.333 0.687 20 5 DCBDMO Nc1ncc(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC001583990104 1166298507 /nfs/dbraw/zinc/29/85/07/1166298507.db2.gz XJDLDIJIDHXBPS-MNOVXSKESA-N 1 1 321.337 0.165 20 5 DCBDMO C[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@H]1CO ZINC001590272168 1166833923 /nfs/dbraw/zinc/83/39/23/1166833923.db2.gz MJRSJVSETGTNKH-RNCFNFMXSA-N 1 1 318.337 0.978 20 5 DCBDMO C[N@@H+]1C[C@H]2CCN(c3cc(-c4nn[nH]n4)sc3[N+](=O)[O-])[C@H]2C1 ZINC001591172420 1167126783 /nfs/dbraw/zinc/12/67/83/1167126783.db2.gz UNGHNSOOTPAFQP-APPZFPTMSA-N 1 1 321.366 0.977 20 5 DCBDMO C[N@H+]1C[C@H]2CCN(c3cc(-c4nn[nH]n4)sc3[N+](=O)[O-])[C@H]2C1 ZINC001591172420 1167126786 /nfs/dbraw/zinc/12/67/86/1167126786.db2.gz UNGHNSOOTPAFQP-APPZFPTMSA-N 1 1 321.366 0.977 20 5 DCBDMO C[C@H]1C[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC001620943558 1167961062 /nfs/dbraw/zinc/96/10/62/1167961062.db2.gz ATWFUJQDJCYXBS-WDEREUQCSA-N 1 1 308.338 0.355 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001604855445 1169711231 /nfs/dbraw/zinc/71/12/31/1169711231.db2.gz HVVKXJWNFWYXLK-ZDUSSCGKSA-N 1 1 319.325 0.253 20 5 DCBDMO CO[C@H]1COCC[C@H]1[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001620540556 1171404126 /nfs/dbraw/zinc/40/41/26/1171404126.db2.gz RPKNINUNWACOJV-OCCSQVGLSA-N 1 1 323.349 0.929 20 5 DCBDMO C[N@@H+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)[C@H](CO)C1 ZINC001641533772 1171919684 /nfs/dbraw/zinc/91/96/84/1171919684.db2.gz OEHFLICSPDYPFH-JTQLQIEISA-N 1 1 318.333 0.825 20 5 DCBDMO C[N@H+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)[C@H](CO)C1 ZINC001641533772 1171919689 /nfs/dbraw/zinc/91/96/89/1171919689.db2.gz OEHFLICSPDYPFH-JTQLQIEISA-N 1 1 318.333 0.825 20 5 DCBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCN2CCO[C@H]1C2 ZINC001643189523 1171969092 /nfs/dbraw/zinc/96/90/92/1171969092.db2.gz MEGCSQAPNAQKTN-KGLIPLIRSA-N 1 1 322.365 0.161 20 5 DCBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCN3CCOC[C@@]3(CO)C2)cc1 ZINC001644676944 1172012764 /nfs/dbraw/zinc/01/27/64/1172012764.db2.gz SIAUADORWFBSPV-INIZCTEOSA-N 1 1 321.377 0.516 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1C[N@H+](C)CC1(C)C ZINC001646378308 1172356785 /nfs/dbraw/zinc/35/67/85/1172356785.db2.gz DUKGDNOHRKWYJR-NSHDSACASA-N 1 1 309.370 0.946 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccnc(N)c3[N+](=O)[O-])[C@H]2C1 ZINC001648175540 1173068666 /nfs/dbraw/zinc/06/86/66/1173068666.db2.gz UGGRIQGSNOMBNA-LSJOCFKGSA-N 1 1 305.338 0.642 20 5 DCBDMO Cn1cc([N+](=O)[O-])c(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC001650895627 1173735356 /nfs/dbraw/zinc/73/53/56/1173735356.db2.gz FFRZUGPGEBIKRY-LLVKDONJSA-N 1 1 322.369 0.071 20 5 DCBDMO COC(=O)[C@]1(O)CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC001654620293 1173807953 /nfs/dbraw/zinc/80/79/53/1173807953.db2.gz QRNGOKVVIWRXEJ-AWEZNQCLSA-N 1 1 310.306 0.713 20 5 DCBDMO COC(=O)[C@]1(O)CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC001654620293 1173807956 /nfs/dbraw/zinc/80/79/56/1173807956.db2.gz QRNGOKVVIWRXEJ-AWEZNQCLSA-N 1 1 310.306 0.713 20 5 DCBDMO COC(=O)[C@@H](O)C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC001657864616 1173916722 /nfs/dbraw/zinc/91/67/22/1173916722.db2.gz HKGPWVLIRGYZOO-LBPRGKRZSA-N 1 1 309.322 0.736 20 5 DCBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](O)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC001659811488 1173937057 /nfs/dbraw/zinc/93/70/57/1173937057.db2.gz MFKKGDRCBOZYEI-KGLIPLIRSA-N 1 1 323.349 0.659 20 5 DCBDMO O=C(NCC[N@@H+](CCc1ccns1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001663722176 1174344985 /nfs/dbraw/zinc/34/49/85/1174344985.db2.gz FCYAYWJQPKJJFQ-CHWSQXEVSA-N 1 1 324.406 0.931 20 5 DCBDMO Cc1nc(CC[NH2+]C/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC001668820216 1174845157 /nfs/dbraw/zinc/84/51/57/1174845157.db2.gz DHFYYTUUKBWRSC-XCUNLHGCSA-N 1 1 324.406 0.921 20 5 DCBDMO O=C(N[C@H]1C[C@H]([NH2+]CCOCC(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001713159140 1180701829 /nfs/dbraw/zinc/70/18/29/1180701829.db2.gz QUUNGBUOCHGZIO-ZYUZMQFOSA-N 1 1 307.297 0.170 20 5 DCBDMO CN(CC[NH2+]Cc1ccncc1Cl)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001713591182 1180949952 /nfs/dbraw/zinc/94/99/52/1180949952.db2.gz FIAYIFBQPQTCMF-ZYHUDNBSSA-N 1 1 312.757 0.948 20 5 DCBDMO CCN(CC[NH2+]Cc1ccc(CO)cc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001716217584 1182260131 /nfs/dbraw/zinc/26/01/31/1182260131.db2.gz YAKYYNCIOKADJK-HUUCEWRRSA-N 1 1 321.377 0.782 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C/C=C/CNC(=O)C(C)(C)F ZINC001716259579 1182282268 /nfs/dbraw/zinc/28/22/68/1182282268.db2.gz AGGIAXDDUIARRH-SNAWJCMRSA-N 1 1 313.333 0.838 20 5 DCBDMO Cc1cccnc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001716292312 1182310394 /nfs/dbraw/zinc/31/03/94/1182310394.db2.gz HKUXQJDJGWWVRY-BTBCPRSTSA-N 1 1 304.350 0.817 20 5 DCBDMO CCC1([NH2+]Cc2cnon2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001733803390 1186455625 /nfs/dbraw/zinc/45/56/25/1186455625.db2.gz VIEWWJDRYUEPSM-VXGBXAGGSA-N 1 1 323.353 0.596 20 5 DCBDMO C[N@H+]1CCO[C@@H]2CN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])C[C@H]21 ZINC001164668718 719407914 /nfs/dbraw/zinc/40/79/14/719407914.db2.gz KBBVKCWAEKDOGP-NXEZZACHSA-N 1 1 314.729 0.401 20 5 DCBDMO Cc1ncc([N+](=O)[O-])c(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164967889 722071041 /nfs/dbraw/zinc/07/10/41/722071041.db2.gz TYCXFMOFCIRNED-BETUJISGSA-N 1 1 319.365 0.993 20 5 DCBDMO CCOC(=O)c1cnc(-n2cnc(C[NH3+])cc2=N)c([N+](=O)[O-])c1 ZINC001167351172 747124741 /nfs/dbraw/zinc/12/47/41/747124741.db2.gz GJEQGSJLOZYGON-UHFFFAOYSA-N 1 1 318.293 0.290 20 5 DCBDMO COC(=O)c1ncc([N+](=O)[O-])cc1NC(=[NH2+])N1CCN(C)CC1 ZINC001168746524 754083857 /nfs/dbraw/zinc/08/38/57/754083857.db2.gz UUZWJRYKJHBBJO-UHFFFAOYSA-N 1 1 322.325 0.370 20 5 DCBDMO [NH3+]Cc1ncn(-c2cc([N+](=O)[O-])cc(Br)[n+]2[O-])n1 ZINC001168753960 754347808 /nfs/dbraw/zinc/34/78/08/754347808.db2.gz KBUGLADSJYSEPG-UHFFFAOYSA-N 1 1 315.087 0.030 20 5 DCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](CCC(F)(F)F)C[C@@H]2C1 ZINC001048814577 754956711 /nfs/dbraw/zinc/95/67/11/754956711.db2.gz TYZBNNNCLPNBJD-LMLFDSFASA-N 1 1 321.299 0.994 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@@H]2C1 ZINC001048814577 754956716 /nfs/dbraw/zinc/95/67/16/754956716.db2.gz TYZBNNNCLPNBJD-LMLFDSFASA-N 1 1 321.299 0.994 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@H+](CCC(F)(F)F)C[C@@H]2C1 ZINC001048814577 754956719 /nfs/dbraw/zinc/95/67/19/754956719.db2.gz TYZBNNNCLPNBJD-LMLFDSFASA-N 1 1 321.299 0.994 20 5 DCBDMO COC(=O)[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCOCC1 ZINC001168967893 760534598 /nfs/dbraw/zinc/53/45/98/760534598.db2.gz UKAAWMCTUPPXDO-KGYLQXTDSA-N 1 1 300.355 0.990 20 5 DCBDMO COCCN1C[C@@H]2C[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1=O ZINC001169020118 760559158 /nfs/dbraw/zinc/55/91/58/760559158.db2.gz IMUSWIWNWZKRKV-MQYQWHSLSA-N 1 1 311.382 0.468 20 5 DCBDMO CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@H+]2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)O1 ZINC001169018959 760559698 /nfs/dbraw/zinc/55/96/98/760559698.db2.gz FRTHXUIETCMLNB-XVIXHAIJSA-N 1 1 311.382 0.752 20 5 DCBDMO CCc1n[nH]cc1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001130724592 763462642 /nfs/dbraw/zinc/46/26/42/763462642.db2.gz XUMIACVAJMTYLJ-UHFFFAOYSA-N 1 1 321.341 0.133 20 5 DCBDMO Cc1c(NC(=O)C(=O)NCC[NH+]2CC=CC2)cccc1[N+](=O)[O-] ZINC001116730289 765902816 /nfs/dbraw/zinc/90/28/16/765902816.db2.gz ILBRCKWEDRWVQJ-UHFFFAOYSA-N 1 1 318.333 0.830 20 5 DCBDMO Cc1nc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)c(C)o1 ZINC001135669356 766034348 /nfs/dbraw/zinc/03/43/48/766034348.db2.gz LSNAQYUNTQTZFU-UHFFFAOYSA-N 1 1 322.325 0.453 20 5 DCBDMO C[NH+](C)Cc1ccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)o1 ZINC001150030373 769476330 /nfs/dbraw/zinc/47/63/30/769476330.db2.gz LUAVCQFPBLGECV-UHFFFAOYSA-N 1 1 307.310 0.876 20 5 DCBDMO C[C@@H]1Cc2n[nH]cc2C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001176143847 770032353 /nfs/dbraw/zinc/03/23/53/770032353.db2.gz AXHHRAAELKXCJV-ZWNOBZJWSA-N 1 1 320.353 0.570 20 5 DCBDMO Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)n1 ZINC001157761054 771665066 /nfs/dbraw/zinc/66/50/66/771665066.db2.gz LHSRCZGRIIZFMK-ZIAGYGMSSA-N 1 1 306.366 0.960 20 5 DCBDMO CSc1nc(Cl)nc(-n2cnc(C[NH3+])n2)c1[N+](=O)[O-] ZINC001157928538 771695377 /nfs/dbraw/zinc/69/53/77/771695377.db2.gz RPIBHVAZAIBKBW-UHFFFAOYSA-N 1 1 301.719 0.800 20 5 DCBDMO CC(C)(O)C[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC001163892295 772585574 /nfs/dbraw/zinc/58/55/74/772585574.db2.gz VGMBGEPZZVILRH-VIFPVBQESA-N 1 1 323.353 0.346 20 5 DCBDMO Nc1nc(N[C@H]2CCC[N@H+]3CCSC[C@H]23)ncc1[N+](=O)[O-] ZINC001164124250 772614457 /nfs/dbraw/zinc/61/44/57/772614457.db2.gz GUKIZXQROBOBSA-WCBMZHEXSA-N 1 1 310.383 0.959 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(F)(F)[C@@H]([NH3+])C2)n1 ZINC001164327555 772646639 /nfs/dbraw/zinc/64/66/39/772646639.db2.gz PIROVEAOHUZRHK-VIFPVBQESA-N 1 1 316.264 0.949 20 5 DCBDMO Cn1nccc1C[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164490355 772667690 /nfs/dbraw/zinc/66/76/90/772667690.db2.gz FXIRPXPTNVQFBS-CHWSQXEVSA-N 1 1 321.381 0.461 20 5 DCBDMO COCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164494807 772668159 /nfs/dbraw/zinc/66/81/59/772668159.db2.gz TYHKCNACAFVVHZ-CHWSQXEVSA-N 1 1 313.398 0.954 20 5 DCBDMO NC(=O)[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[NH2+]1 ZINC001166725207 772850884 /nfs/dbraw/zinc/85/08/84/772850884.db2.gz DQTHAJLWKXZTGA-LBPRGKRZSA-N 1 1 301.306 0.407 20 5 DCBDMO Cn1ncc2c1CCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC001195114220 773328803 /nfs/dbraw/zinc/32/88/03/773328803.db2.gz RVYNPWIZYTVNER-UHFFFAOYSA-N 1 1 317.349 0.938 20 5 DCBDMO CC[N@@H+](C)[C@@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC001196220226 773559782 /nfs/dbraw/zinc/55/97/82/773559782.db2.gz VNWNUQYQUYFYJS-SECBINFHSA-N 1 1 317.371 0.043 20 5 DCBDMO C[N@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC001209656330 773631498 /nfs/dbraw/zinc/63/14/98/773631498.db2.gz IAAOFYWKAPNSRZ-SECBINFHSA-N 1 1 321.337 0.767 20 5 DCBDMO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc(C(F)(F)F)cc(=O)[nH]1 ZINC001225980517 775749587 /nfs/dbraw/zinc/74/95/87/775749587.db2.gz NGAACEGGPVYYIX-SSDOTTSWSA-O 1 1 324.279 0.564 20 5 DCBDMO CO[C@@H]1CC[N@@H+](CCOc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227112042 775929116 /nfs/dbraw/zinc/92/91/16/775929116.db2.gz WAWQYEIAKICRND-SNVBAGLBSA-N 1 1 312.282 0.998 20 5 DCBDMO Cn1nccc1C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001268036265 939796705 /nfs/dbraw/zinc/79/67/05/939796705.db2.gz ONMDQGOYWRZCEZ-CHWSQXEVSA-N 1 1 321.381 0.604 20 5 DCBDMO O=C(NC1(C[NH2+]CCCF)CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001327634824 948578610 /nfs/dbraw/zinc/57/86/10/948578610.db2.gz LZHSAPRDGURDMX-GHMZBOCLSA-N 1 1 303.334 0.266 20 5 DCBDMO Cc1nc(C)c(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001274014817 951326282 /nfs/dbraw/zinc/32/62/82/951326282.db2.gz DCXQRUMLCGUQCY-BLDJZWNYSA-N 1 1 308.338 0.719 20 5 DCBDMO COc1c(O)ccc(C[NH2+]C[C@@H]2CN(C)CCN2C)c1[N+](=O)[O-] ZINC001333725557 952141560 /nfs/dbraw/zinc/14/15/60/952141560.db2.gz YOQJJMWZUGXOTM-GFCCVEGCSA-N 1 1 324.381 0.644 20 5 DCBDMO COCCn1c(C[N+](=O)[O-])nnc1N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001341622940 953240984 /nfs/dbraw/zinc/24/09/84/953240984.db2.gz JEQRBTGUQKCREV-NWDGAFQWSA-N 1 1 324.385 0.232 20 5 DCBDMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC001346296512 953849692 /nfs/dbraw/zinc/84/96/92/953849692.db2.gz NDMSUSNWIXKDMM-RISCZKNCSA-N 1 1 304.350 0.599 20 5 DCBDMO COc1ccc(NC(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)cc1[N+](=O)[O-] ZINC001346532699 953913222 /nfs/dbraw/zinc/91/32/22/953913222.db2.gz USJAFPACSCAAHQ-GXFFZTMASA-N 1 1 320.349 0.930 20 5 DCBDMO C[NH+]1CC(N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC001347362158 954077369 /nfs/dbraw/zinc/07/73/69/954077369.db2.gz IWIBKDPNBDVXOA-UHFFFAOYSA-N 1 1 310.379 0.728 20 5 DCBDMO C[C@@H](c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1C)[N+](=O)[O-] ZINC001350589510 955139675 /nfs/dbraw/zinc/13/96/75/955139675.db2.gz VPYFNRAYDFVSQO-NWDGAFQWSA-N 1 1 324.385 0.454 20 5 DCBDMO Cc1nn(C)c(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC001353285181 956005663 /nfs/dbraw/zinc/00/56/63/956005663.db2.gz KHAVWVMNYRTPNA-HBNTYKKESA-N 1 1 307.354 0.707 20 5 DCBDMO CC(=O)N(C)CC(=O)NCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001492195475 959681975 /nfs/dbraw/zinc/68/19/75/959681975.db2.gz TZUIYCITPIDUQB-UHFFFAOYSA-N 1 1 322.365 0.621 20 5 DCBDMO CC(=O)N(C)CC(=O)NCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001492195475 959681979 /nfs/dbraw/zinc/68/19/79/959681979.db2.gz TZUIYCITPIDUQB-UHFFFAOYSA-N 1 1 322.365 0.621 20 5 DCBDMO Cc1nn(C)c(C(=O)N2CC[N@H+](C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC001306859851 960133188 /nfs/dbraw/zinc/13/31/88/960133188.db2.gz SFSNQIZIFYGISF-SECBINFHSA-N 1 1 307.354 0.945 20 5 DCBDMO Cc1nn(C)c(C(=O)N2CC[N@@H+](C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC001306859851 960133196 /nfs/dbraw/zinc/13/31/96/960133196.db2.gz SFSNQIZIFYGISF-SECBINFHSA-N 1 1 307.354 0.945 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]1CO ZINC001308103203 960166738 /nfs/dbraw/zinc/16/67/38/960166738.db2.gz DSZBTYJFOUZKND-LLVKDONJSA-N 1 1 309.322 0.999 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](c2ncccn2)C2CC2)c1 ZINC001308091357 960167640 /nfs/dbraw/zinc/16/76/40/960167640.db2.gz BETOLSYBTPYTOC-STQMWFEESA-N 1 1 318.337 0.683 20 5 DCBDMO C[C@H]1C[C@@H](NC(=O)c2cnc(N)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC001545709852 1005557461 /nfs/dbraw/zinc/55/74/61/1005557461.db2.gz MNKCMHGGRSJIEQ-WCBMZHEXSA-N 1 1 305.338 0.927 20 5 DCBDMO CCC(CC)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001506096307 1017009082 /nfs/dbraw/zinc/00/90/82/1017009082.db2.gz JDBOAJSBRKWPMI-CHWSQXEVSA-N 1 1 313.398 0.641 20 5 DCBDMO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC001557319331 1012274134 /nfs/dbraw/zinc/27/41/34/1012274134.db2.gz ZODZZHNOUVSHPR-WDEREUQCSA-N 1 1 323.353 0.547 20 5 DCBDMO NC(=O)c1ccnc(N[C@@H]2CCC[N@@H+](CCCO)C2)c1[N+](=O)[O-] ZINC001559193491 1012406168 /nfs/dbraw/zinc/40/61/68/1012406168.db2.gz FNMRBZIXDQDSRZ-SNVBAGLBSA-N 1 1 323.353 0.347 20 5 DCBDMO O=C(CC[N@H+]1CC[C@@H](O)[C@@H](CO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001559915255 1012436647 /nfs/dbraw/zinc/43/66/47/1012436647.db2.gz JVWOONRDYKEKTP-BXUZGUMPSA-N 1 1 323.349 0.599 20 5 DCBDMO C[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC001475756622 1017153187 /nfs/dbraw/zinc/15/31/87/1017153187.db2.gz XVKXNVNLJDCFSV-JTQLQIEISA-N 1 1 314.367 0.752 20 5 DCBDMO C[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC001475756622 1017153192 /nfs/dbraw/zinc/15/31/92/1017153192.db2.gz XVKXNVNLJDCFSV-JTQLQIEISA-N 1 1 314.367 0.752 20 5 DCBDMO O=C(NCCN1CCC([NH2+]CC2CCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001501257713 1018991208 /nfs/dbraw/zinc/99/12/08/1018991208.db2.gz AYSKBFXFWXVMRO-HUUCEWRRSA-N 1 1 324.425 0.622 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(CNC(=O)C(C)(C)F)CC1 ZINC001499142904 1019788682 /nfs/dbraw/zinc/78/86/82/1019788682.db2.gz FKSGZLQOCXNMCU-UHFFFAOYSA-N 1 1 313.333 0.815 20 5 DCBDMO COC(=O)[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090525242 185300321 /nfs/dbraw/zinc/30/03/21/185300321.db2.gz CQNRBNXOIVDSFJ-NSHDSACASA-N 1 1 309.322 0.642 20 5 DCBDMO CNC(=O)[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090548736 185302310 /nfs/dbraw/zinc/30/23/10/185302310.db2.gz GJBLDCNMWKEOCZ-NSHDSACASA-N 1 1 308.338 0.215 20 5 DCBDMO C[C@@H]1C[N@@H+](C)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000330789399 232070412 /nfs/dbraw/zinc/07/04/12/232070412.db2.gz BFKLTQVDTZPDEB-CHWSQXEVSA-N 1 1 309.366 0.970 20 5 DCBDMO C[C@@H]1CN(C)CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000330789399 232070415 /nfs/dbraw/zinc/07/04/15/232070415.db2.gz BFKLTQVDTZPDEB-CHWSQXEVSA-N 1 1 309.366 0.970 20 5 DCBDMO C[C@@H]1CN(C)CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000330789399 232070418 /nfs/dbraw/zinc/07/04/18/232070418.db2.gz BFKLTQVDTZPDEB-CHWSQXEVSA-N 1 1 309.366 0.970 20 5 DCBDMO C[C@@H]1C[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C[N@H+]1C1CC1 ZINC000177096708 198665388 /nfs/dbraw/zinc/66/53/88/198665388.db2.gz QSJOCCXFAGIQRX-MNOVXSKESA-N 1 1 307.354 0.923 20 5 DCBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000264571240 283322503 /nfs/dbraw/zinc/32/25/03/283322503.db2.gz SIIVQHDUKVXGRS-ZDUSSCGKSA-N 1 1 320.349 0.664 20 5 DCBDMO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C(N)=O)C1 ZINC000187407676 237346680 /nfs/dbraw/zinc/34/66/80/237346680.db2.gz KTOIXBTUWIMWIP-PWSUYJOCSA-N 1 1 308.338 0.342 20 5 DCBDMO C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C(N)=O)C1 ZINC000187407676 237346690 /nfs/dbraw/zinc/34/66/90/237346690.db2.gz KTOIXBTUWIMWIP-PWSUYJOCSA-N 1 1 308.338 0.342 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000489314104 241092248 /nfs/dbraw/zinc/09/22/48/241092248.db2.gz OBPJJVSMJGDPPC-LBPRGKRZSA-N 1 1 309.370 0.898 20 5 DCBDMO COc1cc(C(=O)NCC(F)(F)C[NH3+])cc([N+](=O)[O-])c1OC ZINC000275089548 212115206 /nfs/dbraw/zinc/11/52/06/212115206.db2.gz APBHIAKGYADYRZ-UHFFFAOYSA-N 1 1 319.264 0.936 20 5 DCBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000282597748 217114937 /nfs/dbraw/zinc/11/49/37/217114937.db2.gz XPNPWHXPQBDMRY-CQSZACIVSA-N 1 1 307.350 0.926 20 5 DCBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000282597748 217114942 /nfs/dbraw/zinc/11/49/42/217114942.db2.gz XPNPWHXPQBDMRY-CQSZACIVSA-N 1 1 307.350 0.926 20 5 DCBDMO C[N@@H+]1CCC[C@]2(CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339440986 253084846 /nfs/dbraw/zinc/08/48/46/253084846.db2.gz RXODBNFEBHVJSN-GJZGRUSLSA-N 1 1 323.397 0.570 20 5 DCBDMO C[N@H+]1CCC[C@]2(CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339440986 253084848 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ZINC000602784845 397485692 /nfs/dbraw/zinc/48/56/92/397485692.db2.gz JJUQXBUWBPEKDJ-GFCCVEGCSA-N 1 1 307.354 0.843 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CCO)Cc1cccnc1 ZINC000602789658 397486643 /nfs/dbraw/zinc/48/66/43/397486643.db2.gz XRIAYYUNWZWPKB-UHFFFAOYSA-N 1 1 305.338 0.989 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CCO)Cc1cccnc1 ZINC000602789658 397486646 /nfs/dbraw/zinc/48/66/46/397486646.db2.gz XRIAYYUNWZWPKB-UHFFFAOYSA-N 1 1 305.338 0.989 20 5 DCBDMO C[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](CO)C1 ZINC000602906895 397520046 /nfs/dbraw/zinc/52/00/46/397520046.db2.gz UGSPTIYBPBPTAJ-LLVKDONJSA-N 1 1 305.338 0.579 20 5 DCBDMO C[N@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](CO)C1 ZINC000602906895 397520047 /nfs/dbraw/zinc/52/00/47/397520047.db2.gz UGSPTIYBPBPTAJ-LLVKDONJSA-N 1 1 305.338 0.579 20 5 DCBDMO CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000603928410 397628534 /nfs/dbraw/zinc/62/85/34/397628534.db2.gz QKPBJPRUNYWIQR-UHFFFAOYSA-N 1 1 314.367 0.384 20 5 DCBDMO C[N@H+]1CCCN(CCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000609624113 397787847 /nfs/dbraw/zinc/78/78/47/397787847.db2.gz ZPHHLNJFOVJJOJ-UHFFFAOYSA-N 1 1 309.370 0.680 20 5 DCBDMO CN1CCC[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000609624113 397787850 /nfs/dbraw/zinc/78/78/50/397787850.db2.gz ZPHHLNJFOVJJOJ-UHFFFAOYSA-N 1 1 309.370 0.680 20 5 DCBDMO CN1CCC[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000609624113 397787852 /nfs/dbraw/zinc/78/78/52/397787852.db2.gz ZPHHLNJFOVJJOJ-UHFFFAOYSA-N 1 1 309.370 0.680 20 5 DCBDMO COc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000054371017 286348846 /nfs/dbraw/zinc/34/88/46/286348846.db2.gz HKQIWGNECJSBIY-SECBINFHSA-N 1 1 315.351 0.586 20 5 DCBDMO O=C([C@@H]1COCC[NH2+]1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000132018338 158306891 /nfs/dbraw/zinc/30/68/91/158306891.db2.gz SWHHZTGQWQSBLW-AWEZNQCLSA-N 1 1 320.349 0.232 20 5 DCBDMO NC(=O)c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000316982162 159003833 /nfs/dbraw/zinc/00/38/33/159003833.db2.gz DCBZOQVEZFNNTD-ZKYQVNSYSA-N 1 1 305.334 0.896 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000193660912 287061135 /nfs/dbraw/zinc/06/11/35/287061135.db2.gz UWVADRIJCGQOOR-QMTHXVAHSA-N 1 1 320.349 0.956 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000193660943 287061142 /nfs/dbraw/zinc/06/11/42/287061142.db2.gz UWVADRIJCGQOOR-IINYFYTJSA-N 1 1 320.349 0.956 20 5 DCBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000268146263 415165906 /nfs/dbraw/zinc/16/59/06/415165906.db2.gz FDDQZUNDVIHAED-ZWNOBZJWSA-N 1 1 320.349 0.355 20 5 DCBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC([NH+](C)C)C1 ZINC000272077212 415275404 /nfs/dbraw/zinc/27/54/04/415275404.db2.gz GNTVUNQLYHEUSQ-UHFFFAOYSA-N 1 1 315.351 0.538 20 5 DCBDMO COc1ccc(OCC[N@@H+](C)[C@@H]2COC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000352792128 415319877 /nfs/dbraw/zinc/31/98/77/415319877.db2.gz KRNSERRIQRRCBP-OLZOCXBDSA-N 1 1 312.322 0.674 20 5 DCBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1COC[C@@H]1O ZINC000352816217 415333279 /nfs/dbraw/zinc/33/32/79/415333279.db2.gz NIGFHOYABAIRKR-STQMWFEESA-N 1 1 309.322 0.615 20 5 DCBDMO CCn1nc(C)c([N+](=O)[O-])c1NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000280823583 415544644 /nfs/dbraw/zinc/54/46/44/415544644.db2.gz YJAFWVBYEPYEKT-LLVKDONJSA-N 1 1 324.385 0.871 20 5 DCBDMO Cc1nnc([C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000353655806 415617046 /nfs/dbraw/zinc/61/70/46/415617046.db2.gz GVAGFKQSQALJCF-XCBNKYQSSA-N 1 1 312.355 0.663 20 5 DCBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000290177756 415772259 /nfs/dbraw/zinc/77/22/59/415772259.db2.gz PIMPQNNZONOIFI-ZJUUUORDSA-N 1 1 307.354 0.952 20 5 DCBDMO C[N@@H+](CCc1ccncc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000121569185 415808765 /nfs/dbraw/zinc/80/87/65/415808765.db2.gz PUFIGZRMEHYWRN-CQSZACIVSA-N 1 1 305.338 0.722 20 5 DCBDMO Cc1nn(C)c(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000301278093 416080161 /nfs/dbraw/zinc/08/01/61/416080161.db2.gz LJNKHMUCHIEWTQ-NSHDSACASA-N 1 1 324.385 0.636 20 5 DCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNc2ccc([N+](=O)[O-])cn2)C1 ZINC000301183315 416077847 /nfs/dbraw/zinc/07/78/47/416077847.db2.gz OCXBUBUZERMKHA-NSHDSACASA-N 1 1 307.354 0.989 20 5 DCBDMO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCS(=O)(=O)C1 ZINC000176207487 416120584 /nfs/dbraw/zinc/12/05/84/416120584.db2.gz UMIYWSSQPXFPPI-LLVKDONJSA-N 1 1 316.383 0.690 20 5 DCBDMO CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCS(=O)(=O)C1 ZINC000176207487 416120588 /nfs/dbraw/zinc/12/05/88/416120588.db2.gz UMIYWSSQPXFPPI-LLVKDONJSA-N 1 1 316.383 0.690 20 5 DCBDMO CC[N@@H+]1C[C@H](C)N(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@H]1C ZINC000345986082 416180158 /nfs/dbraw/zinc/18/01/58/416180158.db2.gz PEQJJIJAYUHTAK-NEPJUHHUSA-N 1 1 322.365 0.698 20 5 DCBDMO CC[N@H+]1C[C@H](C)N(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@H]1C ZINC000345986082 416180160 /nfs/dbraw/zinc/18/01/60/416180160.db2.gz PEQJJIJAYUHTAK-NEPJUHHUSA-N 1 1 322.365 0.698 20 5 DCBDMO COc1ccc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000358072455 416188065 /nfs/dbraw/zinc/18/80/65/416188065.db2.gz ZNJDGJKDZLNTCL-CQSZACIVSA-N 1 1 309.322 0.400 20 5 DCBDMO C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@H+]1CC(C)(C)O ZINC000189904854 416272570 /nfs/dbraw/zinc/27/25/70/416272570.db2.gz LDDYEPRHQOVEST-GFCCVEGCSA-N 1 1 311.386 0.568 20 5 DCBDMO NC(=O)[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192803837 416310900 /nfs/dbraw/zinc/31/09/00/416310900.db2.gz PJZANNGECWRYLD-GFCCVEGCSA-N 1 1 306.322 0.873 20 5 DCBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@H+]1CC(C)(C)O ZINC000331272425 416298967 /nfs/dbraw/zinc/29/89/67/416298967.db2.gz GVRQQCWGXHPAQG-JTQLQIEISA-N 1 1 310.354 0.840 20 5 DCBDMO COCC[NH+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000194568491 416323730 /nfs/dbraw/zinc/32/37/30/416323730.db2.gz BNVYPDBYOIHKPP-UHFFFAOYSA-N 1 1 308.338 0.462 20 5 DCBDMO CN1CC[C@@H]([N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000245450185 416331096 /nfs/dbraw/zinc/33/10/96/416331096.db2.gz OITUEUSVWWAKKE-ZYHUDNBSSA-N 1 1 305.338 0.707 20 5 DCBDMO CN1CC[C@@H]([N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000245450185 416331097 /nfs/dbraw/zinc/33/10/97/416331097.db2.gz OITUEUSVWWAKKE-ZYHUDNBSSA-N 1 1 305.338 0.707 20 5 DCBDMO Nc1nc(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC000610489095 416658251 /nfs/dbraw/zinc/65/82/51/416658251.db2.gz APXIYJSXEIPFDH-LLVKDONJSA-N 1 1 322.369 0.658 20 5 DCBDMO Cc1[nH+]cc2n1C[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)CC2 ZINC000565073833 416919057 /nfs/dbraw/zinc/91/90/57/416919057.db2.gz QCXUZZKGKUHHCH-LLVKDONJSA-N 1 1 318.337 0.675 20 5 DCBDMO NC(=O)[C@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CC[NH2+]1 ZINC000450233109 417210307 /nfs/dbraw/zinc/21/03/07/417210307.db2.gz NNUGSVWGBQOIOK-LLVKDONJSA-N 1 1 301.306 0.407 20 5 DCBDMO Cc1nc(N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000450468415 417232323 /nfs/dbraw/zinc/23/23/23/417232323.db2.gz GCCNGFYSFCKXNX-JTQLQIEISA-N 1 1 309.370 0.975 20 5 DCBDMO C[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C ZINC000451102886 417298831 /nfs/dbraw/zinc/29/88/31/417298831.db2.gz FRLHEOZRJHAXNI-QWRGUYRKSA-N 1 1 322.365 0.838 20 5 DCBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451632745 417370285 /nfs/dbraw/zinc/37/02/85/417370285.db2.gz KPHFVDGFILFPCP-PHIMTYICSA-N 1 1 305.290 0.308 20 5 DCBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000452386006 417480559 /nfs/dbraw/zinc/48/05/59/417480559.db2.gz WIDANPFJALUEPL-SNVBAGLBSA-N 1 1 323.353 0.149 20 5 DCBDMO CC(C)[N@@H+](C)CC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000457117808 417691049 /nfs/dbraw/zinc/69/10/49/417691049.db2.gz FYBLIENGNSFRJA-UHFFFAOYSA-N 1 1 321.381 0.979 20 5 DCBDMO Cn1nccc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273482176 261170067 /nfs/dbraw/zinc/17/00/67/261170067.db2.gz LJQBIYQXSMEMDD-UHFFFAOYSA-N 1 1 324.362 0.892 20 5 DCBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000354556326 261236579 /nfs/dbraw/zinc/23/65/79/261236579.db2.gz UIAFTTDZKCGPAF-LBPRGKRZSA-N 1 1 324.385 0.965 20 5 DCBDMO NC(=O)c1ccc(N2CC[NH+]([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000362138109 262003715 /nfs/dbraw/zinc/00/37/15/262003715.db2.gz ANXZPNHEMPGUNQ-GFCCVEGCSA-N 1 1 320.349 0.605 20 5 DCBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[C@H](C)[N@@H+]1CCO ZINC000412381080 262187497 /nfs/dbraw/zinc/18/74/97/262187497.db2.gz SNQFUEMFXKNCHH-AOOOYVTPSA-N 1 1 324.337 0.223 20 5 DCBDMO CO[C@@H]1COC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000459824086 272012924 /nfs/dbraw/zinc/01/29/24/272012924.db2.gz KAOMURVRZKDPKN-GXTWGEPZSA-N 1 1 321.333 0.487 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000492561460 272135319 /nfs/dbraw/zinc/13/53/19/272135319.db2.gz KGSNVYBKOOIFJX-NFAHFFEMSA-N 1 1 305.334 0.791 20 5 DCBDMO COC(=O)CC[N@@H+]1CCN(c2c([N+](=O)[O-])ncn2C)[C@H](C)C1 ZINC000271722233 277318647 /nfs/dbraw/zinc/31/86/47/277318647.db2.gz RQGYUYMFQAHCIP-SNVBAGLBSA-N 1 1 311.342 0.402 20 5 DCBDMO COC(=O)CC[N@H+]1CCN(c2c([N+](=O)[O-])ncn2C)[C@H](C)C1 ZINC000271722233 277318648 /nfs/dbraw/zinc/31/86/48/277318648.db2.gz RQGYUYMFQAHCIP-SNVBAGLBSA-N 1 1 311.342 0.402 20 5 DCBDMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000262226293 280058029 /nfs/dbraw/zinc/05/80/29/280058029.db2.gz JXBHICOOIUAGMB-YGRLFVJLSA-N 1 1 305.334 0.856 20 5 DCBDMO CO[C@@H]1COC[C@H]1[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000582723548 337125527 /nfs/dbraw/zinc/12/55/27/337125527.db2.gz JPPKLPLMOFHZNI-CHWSQXEVSA-N 1 1 309.322 0.845 20 5 DCBDMO C[C@@H](C[S@](C)=O)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000126690338 524875541 /nfs/dbraw/zinc/87/55/41/524875541.db2.gz ILROKGIHOVXKSX-WVDJIFEKSA-N 1 1 301.368 0.455 20 5 DCBDMO C[C@@H](C[S@](C)=O)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000126690338 524875550 /nfs/dbraw/zinc/87/55/50/524875550.db2.gz ILROKGIHOVXKSX-WVDJIFEKSA-N 1 1 301.368 0.455 20 5 DCBDMO CN(C)S(=O)(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000291479177 536096886 /nfs/dbraw/zinc/09/68/86/536096886.db2.gz QPHFLBRTFNHOSB-UHFFFAOYSA-N 1 1 308.385 0.142 20 5 DCBDMO COCC[N@@H+](C)CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821689155 606706997 /nfs/dbraw/zinc/70/69/97/606706997.db2.gz NHCNSCWWQSJBLV-UHFFFAOYSA-N 1 1 322.329 0.160 20 5 DCBDMO CC[N@H+]1C[C@@H](C)[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821240289 606731744 /nfs/dbraw/zinc/73/17/44/606731744.db2.gz FYOUBBLLEFINDW-LDYMZIIASA-N 1 1 318.341 0.922 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCOC[C@H]2CC2CC2)c1 ZINC000933211075 658560818 /nfs/dbraw/zinc/56/08/18/658560818.db2.gz YTJJMRXCROQEEN-TZMCWYRMSA-N 1 1 310.354 0.653 20 5 DCBDMO CC[C@@H]1C(=O)NCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000933218060 658571529 /nfs/dbraw/zinc/57/15/29/658571529.db2.gz PFVMLTTWBKJKAW-GFCCVEGCSA-N 1 1 308.338 0.357 20 5 DCBDMO CC[C@@H]1C(=O)NCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000933218060 658571534 /nfs/dbraw/zinc/57/15/34/658571534.db2.gz PFVMLTTWBKJKAW-GFCCVEGCSA-N 1 1 308.338 0.357 20 5 DCBDMO Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)ncn1 ZINC001022063924 658816003 /nfs/dbraw/zinc/81/60/03/658816003.db2.gz PGDBZLRIMBCYOW-LYIQGSDWSA-N 1 1 305.338 0.187 20 5 DCBDMO Cc1n[nH]c(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000725895551 659260261 /nfs/dbraw/zinc/26/02/61/659260261.db2.gz HACDOXUYLVYAGB-VHSXEESVSA-N 1 1 309.326 0.219 20 5 DCBDMO CC(C)(CCC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO)[N+](=O)[O-] ZINC000889751737 662031894 /nfs/dbraw/zinc/03/18/94/662031894.db2.gz RYFGEPAKMUAIPO-STQMWFEESA-N 1 1 313.398 0.880 20 5 DCBDMO C[N@@H+]1CC[C@@H]1CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000895768832 662214138 /nfs/dbraw/zinc/21/41/38/662214138.db2.gz INDKYIMOGBXEPI-SNVBAGLBSA-N 1 1 308.342 0.337 20 5 DCBDMO C[N@H+]1CC[C@@H]1CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000895768832 662214139 /nfs/dbraw/zinc/21/41/39/662214139.db2.gz INDKYIMOGBXEPI-SNVBAGLBSA-N 1 1 308.342 0.337 20 5 DCBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896580775 662295299 /nfs/dbraw/zinc/29/52/99/662295299.db2.gz NJEXUALYNYZXST-FZMZJTMJSA-N 1 1 306.366 0.959 20 5 DCBDMO Cc1nn(CN2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c(C)c1[N+](=O)[O-] ZINC000902645715 663425748 /nfs/dbraw/zinc/42/57/48/663425748.db2.gz YGWKIYSEGOOQDL-KGLIPLIRSA-N 1 1 323.397 0.897 20 5 DCBDMO C[N@@H+]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])[C@H](CO)C1 ZINC000912735914 664213926 /nfs/dbraw/zinc/21/39/26/664213926.db2.gz JRHJHWBTESSKCR-LBPRGKRZSA-N 1 1 311.313 0.411 20 5 DCBDMO C[N@H+]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])[C@H](CO)C1 ZINC000912735914 664213927 /nfs/dbraw/zinc/21/39/27/664213927.db2.gz JRHJHWBTESSKCR-LBPRGKRZSA-N 1 1 311.313 0.411 20 5 DCBDMO C[N@@H+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@H](CO)C1 ZINC000912748722 664221999 /nfs/dbraw/zinc/22/19/99/664221999.db2.gz DUTHHKYHXVOJPI-LBPRGKRZSA-N 1 1 322.365 0.532 20 5 DCBDMO C[N@H+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@H](CO)C1 ZINC000912748722 664222000 /nfs/dbraw/zinc/22/20/00/664222000.db2.gz DUTHHKYHXVOJPI-LBPRGKRZSA-N 1 1 322.365 0.532 20 5 DCBDMO C[N@@H+]1CC[C@H]1CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000921413312 665302006 /nfs/dbraw/zinc/30/20/06/665302006.db2.gz JINZLURGUVTSMW-ZDUSSCGKSA-N 1 1 313.379 0.761 20 5 DCBDMO C[N@H+]1CC[C@H]1CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000921413312 665302007 /nfs/dbraw/zinc/30/20/07/665302007.db2.gz JINZLURGUVTSMW-ZDUSSCGKSA-N 1 1 313.379 0.761 20 5 DCBDMO Cc1nn(C)c(N2CCC(N3CC[NH+](C)CC3)CC2)c1[N+](=O)[O-] ZINC000866214179 667368672 /nfs/dbraw/zinc/36/86/72/667368672.db2.gz LMNSAKGBXCNJKH-UHFFFAOYSA-N 1 1 322.413 0.853 20 5 DCBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CCNCC[NH2+]CC1 ZINC000923460182 667538367 /nfs/dbraw/zinc/53/83/67/667538367.db2.gz CMFFBFOGFONVBR-UHFFFAOYSA-N 1 1 308.382 0.988 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000887934868 667932787 /nfs/dbraw/zinc/93/27/87/667932787.db2.gz XYBQEXJDFRPHGB-DOMZBBRYSA-N 1 1 321.381 0.900 20 5 DCBDMO C[N@H+]1C[C@@H]2CN(C(=O)CCn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000887934429 667933049 /nfs/dbraw/zinc/93/30/49/667933049.db2.gz IDDNZYHYCXVKSE-RISCZKNCSA-N 1 1 307.354 0.592 20 5 DCBDMO O=C(CC[NH+]1CCOCC1)NCCNc1ccccc1[N+](=O)[O-] ZINC000750836427 667988641 /nfs/dbraw/zinc/98/86/41/667988641.db2.gz NELPQLOGGQMXMI-UHFFFAOYSA-N 1 1 322.365 0.845 20 5 DCBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839612507 668124447 /nfs/dbraw/zinc/12/44/47/668124447.db2.gz ARXZXSRFYMZDNJ-LXTVHRRPSA-N 1 1 324.425 0.669 20 5 DCBDMO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839612507 668124449 /nfs/dbraw/zinc/12/44/49/668124449.db2.gz ARXZXSRFYMZDNJ-LXTVHRRPSA-N 1 1 324.425 0.669 20 5 DCBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839612507 668124451 /nfs/dbraw/zinc/12/44/51/668124451.db2.gz ARXZXSRFYMZDNJ-LXTVHRRPSA-N 1 1 324.425 0.669 20 5 DCBDMO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839612501 668124541 /nfs/dbraw/zinc/12/45/41/668124541.db2.gz ARXZXSRFYMZDNJ-KBUPBQIOSA-N 1 1 324.425 0.669 20 5 DCBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000874842406 668226420 /nfs/dbraw/zinc/22/64/20/668226420.db2.gz GUODPQODDJGOLR-STQMWFEESA-N 1 1 307.354 0.877 20 5 DCBDMO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000925309526 668294822 /nfs/dbraw/zinc/29/48/22/668294822.db2.gz FVNXSQPANHNKBG-CYBMUJFWSA-N 1 1 305.334 0.980 20 5 DCBDMO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000764272263 668441835 /nfs/dbraw/zinc/44/18/35/668441835.db2.gz FCUXVZCSBFOOIL-NSHDSACASA-N 1 1 323.353 0.691 20 5 DCBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)[C@H]1C[N@H+](C)CCO1 ZINC000787132688 669353201 /nfs/dbraw/zinc/35/32/01/669353201.db2.gz JYCLKCHYNAPRGN-TVQRCGJNSA-N 1 1 308.338 0.626 20 5 DCBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)[C@H]1C[N@@H+](C)CCO1 ZINC000787132688 669353207 /nfs/dbraw/zinc/35/32/07/669353207.db2.gz JYCLKCHYNAPRGN-TVQRCGJNSA-N 1 1 308.338 0.626 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000934572509 669616625 /nfs/dbraw/zinc/61/66/25/669616625.db2.gz AXSHXDZDADUSHS-JOYOIKCWSA-N 1 1 307.354 0.699 20 5 DCBDMO Cc1[nH+]ccn1CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825529599 671464781 /nfs/dbraw/zinc/46/47/81/671464781.db2.gz JXQIPHKGRUONBZ-CYBMUJFWSA-N 1 1 304.306 0.950 20 5 DCBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000834593365 671772458 /nfs/dbraw/zinc/77/24/58/671772458.db2.gz PZPFOGYXZAYYAQ-NEPJUHHUSA-N 1 1 323.328 0.830 20 5 DCBDMO O=[N+]([O-])c1ccc([C@@H](O)CN[C@H](CO)C[NH+]2CCCC2)cc1 ZINC000843114108 672063305 /nfs/dbraw/zinc/06/33/05/672063305.db2.gz CZKJZYLXKNPIDF-ZFWWWQNUSA-N 1 1 309.366 0.675 20 5 DCBDMO Cc1nn(CN2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc1[N+](=O)[O-] ZINC000902641711 685458244 /nfs/dbraw/zinc/45/82/44/685458244.db2.gz AEUWMLYTQCWFGK-STQMWFEESA-N 1 1 309.370 0.588 20 5 DCBDMO O=C(N[C@H]1C[C@H]([NH2+]CCc2ccns2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139556 693710183 /nfs/dbraw/zinc/71/01/83/693710183.db2.gz FKCYGBLSYZRJKG-CNVPUSNMSA-N 1 1 310.379 0.588 20 5 DCBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC001625831286 1157383918 /nfs/dbraw/zinc/38/39/18/1157383918.db2.gz ACEWHAFGUNNYNS-ZJUUUORDSA-N 1 1 323.353 0.099 20 5 DCBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC001625831286 1157383924 /nfs/dbraw/zinc/38/39/24/1157383924.db2.gz ACEWHAFGUNNYNS-ZJUUUORDSA-N 1 1 323.353 0.099 20 5 DCBDMO C[C@@H]1[C@H](CO)CCN1C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001576574749 1164400936 /nfs/dbraw/zinc/40/09/36/1164400936.db2.gz YGOIIAFFWILTDN-ZETOZRRWSA-N 1 1 307.350 0.998 20 5 DCBDMO C[C@H](OC(=O)CN1CC[NH2+]CC1=O)c1ccccc1[N+](=O)[O-] ZINC001579484721 1165329521 /nfs/dbraw/zinc/32/95/21/1165329521.db2.gz HUMWGTOJCJRGBG-JTQLQIEISA-N 1 1 307.306 0.631 20 5 DCBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001620969388 1167995817 /nfs/dbraw/zinc/99/58/17/1167995817.db2.gz IKICYZHRDLOWFV-JTQLQIEISA-N 1 1 307.354 0.986 20 5 DCBDMO CC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001604345331 1169562180 /nfs/dbraw/zinc/56/21/80/1169562180.db2.gz MBNOGPVGQPXORW-UHFFFAOYSA-N 1 1 303.326 0.917 20 5 DCBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](Nc3ncccn3)C2)c1 ZINC001620647718 1171405930 /nfs/dbraw/zinc/40/59/30/1171405930.db2.gz BVOXYJSKCFZTAO-NSHDSACASA-N 1 1 303.326 0.768 20 5 DCBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)n1 ZINC001623488858 1171438477 /nfs/dbraw/zinc/43/84/77/1171438477.db2.gz PRYCBVUWNVXOJM-MNOVXSKESA-N 1 1 323.353 0.092 20 5 DCBDMO C[NH+](C)C[C@]1(O)CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC001632762115 1171624556 /nfs/dbraw/zinc/62/45/56/1171624556.db2.gz FABHYXUBVIMYSJ-CQSZACIVSA-N 1 1 309.322 0.439 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[NH+](CCC2CCOCC2)CC1 ZINC001642856061 1171958567 /nfs/dbraw/zinc/95/85/67/1171958567.db2.gz LAKWHRGHRATWMQ-ZIAGYGMSSA-N 1 1 311.382 0.613 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)n1 ZINC001643089208 1171965199 /nfs/dbraw/zinc/96/51/99/1171965199.db2.gz HKHYSSKEWRVZRK-NWDGAFQWSA-N 1 1 322.365 0.825 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)n1 ZINC001643089208 1171965210 /nfs/dbraw/zinc/96/52/10/1171965210.db2.gz HKHYSSKEWRVZRK-NWDGAFQWSA-N 1 1 322.365 0.825 20 5 DCBDMO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1[nH]ncc1[N+](=O)[O-] ZINC001644757544 1172021163 /nfs/dbraw/zinc/02/11/63/1172021163.db2.gz JMGIYDMRMBLIHN-SCZZXKLOSA-N 1 1 311.367 0.628 20 5 DCBDMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)c1[nH]ncc1[N+](=O)[O-] ZINC001644757544 1172021167 /nfs/dbraw/zinc/02/11/67/1172021167.db2.gz JMGIYDMRMBLIHN-SCZZXKLOSA-N 1 1 311.367 0.628 20 5 DCBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001645771444 1172133570 /nfs/dbraw/zinc/13/35/70/1172133570.db2.gz PREZABRNVNBCJR-UHFFFAOYSA-N 1 1 306.322 0.449 20 5 DCBDMO CN(CC[N@@H+](C)CCO)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001647836403 1173057194 /nfs/dbraw/zinc/05/71/94/1173057194.db2.gz KPSBIMBXIMMEIJ-CYBMUJFWSA-N 1 1 311.338 0.011 20 5 DCBDMO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC001654909301 1173814022 /nfs/dbraw/zinc/81/40/22/1173814022.db2.gz HQJXPGWUBVXSJL-LLVKDONJSA-N 1 1 306.322 0.375 20 5 DCBDMO CC[N@@H+](C)[C@@H]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC001657489821 1173911871 /nfs/dbraw/zinc/91/18/71/1173911871.db2.gz WLKPSWAMFUXYBT-SNVBAGLBSA-N 1 1 314.367 0.705 20 5 DCBDMO CC(=O)N[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001659074061 1173930054 /nfs/dbraw/zinc/93/00/54/1173930054.db2.gz ZXZMNYJYUVDVSR-OLZOCXBDSA-N 1 1 323.349 0.545 20 5 DCBDMO CNC(=O)C[N@@H+]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC001660246740 1173966374 /nfs/dbraw/zinc/96/63/74/1173966374.db2.gz XJWMJIJSYQOJLW-UHFFFAOYSA-N 1 1 324.356 0.988 20 5 DCBDMO CNC(=O)C[N@H+]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC001660246740 1173966377 /nfs/dbraw/zinc/96/63/77/1173966377.db2.gz XJWMJIJSYQOJLW-UHFFFAOYSA-N 1 1 324.356 0.988 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)NCCn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC001685506129 1176036174 /nfs/dbraw/zinc/03/61/74/1176036174.db2.gz SODLVJZHDITZOQ-DRZSPHRISA-N 1 1 322.369 0.431 20 5 DCBDMO COCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001724745241 1184541527 /nfs/dbraw/zinc/54/15/27/1184541527.db2.gz POYYCSRVEQISRS-AAVRWANBSA-N 1 1 313.398 0.953 20 5 DCBDMO C[N@@H+](CCNC(=O)C1(C(N)=O)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001753062779 1188488415 /nfs/dbraw/zinc/48/84/15/1188488415.db2.gz WJMINDAUPSFWOB-UHFFFAOYSA-N 1 1 320.349 0.408 20 5 DCBDMO COC(=O)c1ccnc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001164667607 719399469 /nfs/dbraw/zinc/39/94/69/719399469.db2.gz OGQSEZOTLRCXEX-GHMZBOCLSA-N 1 1 322.321 0.296 20 5 DCBDMO Cc1nc(N2CC[NH+](C[C@@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC001165045168 721922789 /nfs/dbraw/zinc/92/27/89/721922789.db2.gz ZAQGSUCJAVJBQI-LBPRGKRZSA-N 1 1 307.354 0.994 20 5 DCBDMO CC(C)OCCC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001123835301 751395952 /nfs/dbraw/zinc/39/59/52/751395952.db2.gz XFBGIKLIMKLFBR-UHFFFAOYSA-N 1 1 313.358 0.349 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C1CCS(=O)CC1 ZINC001167686632 747589602 /nfs/dbraw/zinc/58/96/02/747589602.db2.gz TUQZGVVFLGNZMA-UHFFFAOYSA-N 1 1 300.384 0.943 20 5 DCBDMO CC(=O)NCCC[NH+]1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC001096243045 754505145 /nfs/dbraw/zinc/50/51/45/754505145.db2.gz LIFJPQSSTKJBNO-UHFFFAOYSA-N 1 1 321.381 0.946 20 5 DCBDMO CC(=O)N1CC2(C1)CC[NH+](Cc1c([N+](=O)[O-])ncn1C)CC2 ZINC001050393636 757663304 /nfs/dbraw/zinc/66/33/04/757663304.db2.gz KGZHZJSQBQEFIK-UHFFFAOYSA-N 1 1 307.354 0.773 20 5 DCBDMO Cc1ccc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)o1 ZINC001123104448 767928363 /nfs/dbraw/zinc/92/83/63/767928363.db2.gz QQXDIKVMLMJCNF-UHFFFAOYSA-N 1 1 307.310 0.749 20 5 DCBDMO Cc1ncsc1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001124041639 768105810 /nfs/dbraw/zinc/10/58/10/768105810.db2.gz CSPLGRVLOHTLDS-UHFFFAOYSA-N 1 1 324.366 0.613 20 5 DCBDMO CCc1oncc1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001134546592 765564313 /nfs/dbraw/zinc/56/43/13/765564313.db2.gz NEHZFGAAQPIORC-UHFFFAOYSA-N 1 1 322.325 0.398 20 5 DCBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)n1 ZINC001135244445 765849623 /nfs/dbraw/zinc/84/96/23/765849623.db2.gz ABFBNKQDFIXKPG-GARJFASQSA-N 1 1 307.354 0.881 20 5 DCBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001116342074 765862376 /nfs/dbraw/zinc/86/23/76/765862376.db2.gz MDLCTYPERCGVPC-NEPJUHHUSA-N 1 1 322.365 0.555 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC001136660867 766416857 /nfs/dbraw/zinc/41/68/57/766416857.db2.gz IKJSTODRJLVDJT-UHFFFAOYSA-N 1 1 321.341 0.216 20 5 DCBDMO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1nnnn1C ZINC001120558917 767078142 /nfs/dbraw/zinc/07/81/42/767078142.db2.gz LEERCJDTJSAJBD-GXSJLCMTSA-N 1 1 322.325 0.209 20 5 DCBDMO Cc1n[nH]c(C(=O)NC[C@H]2CCCC[N@H+]2CCO)c1[N+](=O)[O-] ZINC001141281407 768573485 /nfs/dbraw/zinc/57/34/85/768573485.db2.gz XBQRVECZXAHIFW-SNVBAGLBSA-N 1 1 311.342 0.203 20 5 DCBDMO NC(=O)c1ccc(C[N@H+]2CC[C@]3(CCOC3=O)C2)c([N+](=O)[O-])c1 ZINC001177003225 770288636 /nfs/dbraw/zinc/28/86/36/770288636.db2.gz UERWWZCILYQGLC-HNNXBMFYSA-N 1 1 319.317 0.833 20 5 DCBDMO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCN1c1cnccn1 ZINC001177015623 770298731 /nfs/dbraw/zinc/29/87/31/770298731.db2.gz KUYBUIUVVULQED-GFCCVEGCSA-N 1 1 317.353 0.792 20 5 DCBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCN1c1cnccn1 ZINC001177015623 770298739 /nfs/dbraw/zinc/29/87/39/770298739.db2.gz KUYBUIUVVULQED-GFCCVEGCSA-N 1 1 317.353 0.792 20 5 DCBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1CC[N@H+]1C ZINC001178455662 770758061 /nfs/dbraw/zinc/75/80/61/770758061.db2.gz KBHHWSRLVNRJNL-WDEREUQCSA-N 1 1 324.385 0.648 20 5 DCBDMO O=C(NCCCCCC[NH2+]CCn1cncn1)[C@@H]1CC1[N+](=O)[O-] ZINC001178464499 770760596 /nfs/dbraw/zinc/76/05/96/770760596.db2.gz UITYJBHJGPWFLM-CHWSQXEVSA-N 1 1 324.385 0.210 20 5 DCBDMO COc1c(O)ccc(C[NH2+]CC(=O)NCC2CC2)c1[N+](=O)[O-] ZINC001180345132 771101236 /nfs/dbraw/zinc/10/12/36/771101236.db2.gz QNEADVIGBJDJRN-UHFFFAOYSA-N 1 1 309.322 0.925 20 5 DCBDMO O=c1cc(CNc2ccc([N+](=O)[O-])cn2)nc2n1CCC[NH2+]C2 ZINC001163110681 772463998 /nfs/dbraw/zinc/46/39/98/772463998.db2.gz CVLCMSLXLZVCPG-UHFFFAOYSA-N 1 1 316.321 0.652 20 5 DCBDMO O=[N+]([O-])c1c(NC[C@@]2(CO)COCC[NH2+]2)nc2ccccn21 ZINC001164047046 772608852 /nfs/dbraw/zinc/60/88/52/772608852.db2.gz WNBJGFBHYSTJLA-CYBMUJFWSA-N 1 1 307.310 0.005 20 5 DCBDMO COC(=O)c1cnc(N2CCC(F)(F)[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001164319904 772646020 /nfs/dbraw/zinc/64/60/20/772646020.db2.gz SLZRODADIDUUNP-SECBINFHSA-N 1 1 316.264 0.949 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(F)(F)[C@H]([NH3+])C2)n1 ZINC001164327554 772646447 /nfs/dbraw/zinc/64/64/47/772646447.db2.gz PIROVEAOHUZRHK-SECBINFHSA-N 1 1 316.264 0.949 20 5 DCBDMO O=C(NCCC1(C[NH2+]CCn2cccn2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001164494784 772668251 /nfs/dbraw/zinc/66/82/51/772668251.db2.gz RZMDSQPPAJLKOR-CHWSQXEVSA-N 1 1 321.381 0.424 20 5 DCBDMO COC(=O)C1([NH3+])CCN(c2cc(OC)c([N+](=O)[O-])cn2)CC1 ZINC001166796841 772861257 /nfs/dbraw/zinc/86/12/57/772861257.db2.gz BYEPETZPYMNMBS-UHFFFAOYSA-N 1 1 310.310 0.469 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001205237668 772984103 /nfs/dbraw/zinc/98/41/03/772984103.db2.gz MJNBANAFABYNLC-AWEZNQCLSA-N 1 1 306.322 0.892 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)c1 ZINC001196083391 773536811 /nfs/dbraw/zinc/53/68/11/773536811.db2.gz MHXPOGXMYKCXEO-ZMJPVWNMSA-N 1 1 310.354 0.245 20 5 DCBDMO C[N@@H+]1CCO[C@H](COCC(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224990325 775630149 /nfs/dbraw/zinc/63/01/49/775630149.db2.gz WYPGNPYJOQDLDC-AWEZNQCLSA-N 1 1 324.333 0.985 20 5 DCBDMO C[N@H+]1CCO[C@H](COCC(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224990325 775630154 /nfs/dbraw/zinc/63/01/54/775630154.db2.gz WYPGNPYJOQDLDC-AWEZNQCLSA-N 1 1 324.333 0.985 20 5 DCBDMO Cc1nccnc1C[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001484742191 943543936 /nfs/dbraw/zinc/54/39/36/943543936.db2.gz SIPFTTFSQDDKDI-TZMCWYRMSA-N 1 1 321.381 0.731 20 5 DCBDMO COC(=O)[C@@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCN1C ZINC001254608345 946415968 /nfs/dbraw/zinc/41/59/68/946415968.db2.gz QUXWDJAETRMYGZ-GJZGRUSLSA-N 1 1 319.361 0.851 20 5 DCBDMO COC(=O)[C@@H]1C[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCN1C ZINC001254608345 946415975 /nfs/dbraw/zinc/41/59/75/946415975.db2.gz QUXWDJAETRMYGZ-GJZGRUSLSA-N 1 1 319.361 0.851 20 5 DCBDMO CN(CCC[NH2+]CCc1cnn(C)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001322505281 946703075 /nfs/dbraw/zinc/70/30/75/946703075.db2.gz KNXKVOITAJCKJS-CHWSQXEVSA-N 1 1 309.370 0.066 20 5 DCBDMO O=[N+]([O-])c1ccc([C@@H](O)CN2CC([N@H+]3CC[C@@H](O)C3)C2)cc1 ZINC001261503747 947321439 /nfs/dbraw/zinc/32/14/39/947321439.db2.gz KHKUJPNNXOVJKD-CABCVRRESA-N 1 1 307.350 0.379 20 5 DCBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC001325707209 947890200 /nfs/dbraw/zinc/89/02/00/947890200.db2.gz KOMWIXYWSIVTJR-NSHDSACASA-N 1 1 324.385 0.084 20 5 DCBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@@H+](C)CCO ZINC001332212152 951522396 /nfs/dbraw/zinc/52/23/96/951522396.db2.gz BMJKUTMWSKESEW-UHFFFAOYSA-N 1 1 310.354 0.633 20 5 DCBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)C[C@@]1(O)CCOC1)CC2 ZINC001334613339 952358177 /nfs/dbraw/zinc/35/81/77/952358177.db2.gz IBBZCTIJLWQKCX-HOTGVXAUSA-N 1 1 322.361 0.855 20 5 DCBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)C[C@@]1(O)CCOC1)CC2 ZINC001334613339 952358184 /nfs/dbraw/zinc/35/81/84/952358184.db2.gz IBBZCTIJLWQKCX-HOTGVXAUSA-N 1 1 322.361 0.855 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC001338462062 953016252 /nfs/dbraw/zinc/01/62/52/953016252.db2.gz KZOBBLMYQYIWTL-CYZMBNFOSA-N 1 1 307.354 0.638 20 5 DCBDMO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001339467635 953096598 /nfs/dbraw/zinc/09/65/98/953096598.db2.gz PDWIDOMXHQBTHA-NEPJUHHUSA-N 1 1 324.385 0.547 20 5 DCBDMO C[N@H+]1CCC[C@H](N2CCN(c3cc(N)c([N+](=O)[O-])cn3)CC2)C1 ZINC001339577280 953104137 /nfs/dbraw/zinc/10/41/37/953104137.db2.gz BYSPQVZUBMMHPV-LBPRGKRZSA-N 1 1 320.397 0.788 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC001341044696 953208415 /nfs/dbraw/zinc/20/84/15/953208415.db2.gz MCINBSSURPASAG-VXGBXAGGSA-N 1 1 307.354 0.843 20 5 DCBDMO Cn1cc([N+](=O)[O-])c(C(=O)OC[C@H]2CC[N@H+]2C2CCOCC2)n1 ZINC001344932870 953562544 /nfs/dbraw/zinc/56/25/44/953562544.db2.gz WPBCGEVPYLNJSB-LLVKDONJSA-N 1 1 324.337 0.738 20 5 DCBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)n1 ZINC001289377380 956746098 /nfs/dbraw/zinc/74/60/98/956746098.db2.gz UJROTKAFOVLACE-YGRLFVJLSA-N 1 1 307.354 0.835 20 5 DCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1C[N@@H+](C)CCN1C ZINC001293745162 957424484 /nfs/dbraw/zinc/42/44/84/957424484.db2.gz OOIPAQFDJVBBHJ-ZWNOBZJWSA-N 1 1 321.381 0.541 20 5 DCBDMO O=C(NCC[N@@H+]1CCCOCC1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001296677990 958033139 /nfs/dbraw/zinc/03/31/39/958033139.db2.gz TVUZWUCSKWCLBK-UHFFFAOYSA-N 1 1 317.733 0.423 20 5 DCBDMO O=C(NCC[N@H+]1CCCOCC1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001296677990 958033148 /nfs/dbraw/zinc/03/31/48/958033148.db2.gz TVUZWUCSKWCLBK-UHFFFAOYSA-N 1 1 317.733 0.423 20 5 DCBDMO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC([NH2+]C2COC2)C1 ZINC001304208621 960084575 /nfs/dbraw/zinc/08/45/75/960084575.db2.gz NXLQKIGFMMOADP-LSDHHAIUSA-N 1 1 317.345 0.898 20 5 DCBDMO CC[C@H](C)[NH+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001449636772 1014601407 /nfs/dbraw/zinc/60/14/07/1014601407.db2.gz FXGLPXUSHMYGHI-LBPRGKRZSA-N 1 1 322.365 0.699 20 5 DCBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001464229799 1015890902 /nfs/dbraw/zinc/89/09/02/1015890902.db2.gz CWERPHCXZQQJGC-NWDGAFQWSA-N 1 1 320.349 0.500 20 5 DCBDMO Nc1ncc(C(=O)NCc2c[nH+]c3n2CCC3)cc1[N+](=O)[O-] ZINC001471829559 1016661887 /nfs/dbraw/zinc/66/18/87/1016661887.db2.gz TYXSDRQYNANUSN-UHFFFAOYSA-N 1 1 302.294 0.645 20 5 DCBDMO C[C@H]1[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@H+]1C ZINC001477127165 1017255366 /nfs/dbraw/zinc/25/53/66/1017255366.db2.gz GAFYOUIFLKMLKY-GZMMTYOYSA-N 1 1 321.337 0.908 20 5 DCBDMO CC[C@@H]1C[N@@H+](CC)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001559835118 1012428688 /nfs/dbraw/zinc/42/86/88/1012428688.db2.gz AKLDROZSRBPYMP-OCCSQVGLSA-N 1 1 311.386 0.568 20 5 DCBDMO CC[C@@H]1CN(CC)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001559835118 1012428706 /nfs/dbraw/zinc/42/87/06/1012428706.db2.gz AKLDROZSRBPYMP-OCCSQVGLSA-N 1 1 311.386 0.568 20 5 DCBDMO CC[C@@H]1CN(CC)CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001559835118 1012428721 /nfs/dbraw/zinc/42/87/21/1012428721.db2.gz AKLDROZSRBPYMP-OCCSQVGLSA-N 1 1 311.386 0.568 20 5 DCBDMO COCC[NH+](CCOC)C1CN(c2cccnc2[N+](=O)[O-])C1 ZINC001515851940 1017134284 /nfs/dbraw/zinc/13/42/84/1017134284.db2.gz MMTVBXGMUIJOJY-UHFFFAOYSA-N 1 1 310.354 0.773 20 5 DCBDMO CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)N(C)C ZINC000090519017 185300051 /nfs/dbraw/zinc/30/00/51/185300051.db2.gz YFZVPWBXCIRXGX-UHFFFAOYSA-N 1 1 310.354 0.557 20 5 DCBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)N(C)C ZINC000090519017 185300052 /nfs/dbraw/zinc/30/00/52/185300052.db2.gz YFZVPWBXCIRXGX-UHFFFAOYSA-N 1 1 310.354 0.557 20 5 DCBDMO Cc1n[nH]c(C(=O)NCc2c[nH+]c(N(C)C)n2C)c1[N+](=O)[O-] ZINC000265150424 186341463 /nfs/dbraw/zinc/34/14/63/186341463.db2.gz YMIUGBQPSUUBGS-UHFFFAOYSA-N 1 1 307.314 0.356 20 5 DCBDMO COC(=O)C[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000179239773 199003089 /nfs/dbraw/zinc/00/30/89/199003089.db2.gz JYDLXSKJSVSABS-NSHDSACASA-N 1 1 309.322 0.784 20 5 DCBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000154258374 291212236 /nfs/dbraw/zinc/21/22/36/291212236.db2.gz LXQZWRDTCOJLEA-GFCCVEGCSA-N 1 1 324.385 0.813 20 5 DCBDMO NC(=O)c1cccc([N+](=O)[O-])c1NCC[N@H+]1CCCOCC1 ZINC000420602199 240048787 /nfs/dbraw/zinc/04/87/87/240048787.db2.gz AUVNMKQMZLRYDN-UHFFFAOYSA-N 1 1 308.338 0.828 20 5 DCBDMO C[NH2+][C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000567782882 291377562 /nfs/dbraw/zinc/37/75/62/291377562.db2.gz FHLJAIPTLYGZTE-CYBMUJFWSA-N 1 1 303.322 0.905 20 5 DCBDMO COC(=O)[C@@H]1CSCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000331390019 533033174 /nfs/dbraw/zinc/03/31/74/533033174.db2.gz AKTNDAAEZWYPPD-JTQLQIEISA-N 1 1 314.367 0.629 20 5 DCBDMO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000350766839 254325697 /nfs/dbraw/zinc/32/56/97/254325697.db2.gz DXTCFLVEXLVVKO-LLVKDONJSA-N 1 1 300.336 0.498 20 5 DCBDMO C[NH+]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000035709000 395721230 /nfs/dbraw/zinc/72/12/30/395721230.db2.gz DMUWPGGSUOKHSV-UHFFFAOYSA-N 1 1 320.349 0.489 20 5 DCBDMO NC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000051131734 395846003 /nfs/dbraw/zinc/84/60/03/395846003.db2.gz MZNMQKMMKWNBBT-LBPRGKRZSA-N 1 1 322.321 0.110 20 5 DCBDMO NC(=O)[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000051131734 395846004 /nfs/dbraw/zinc/84/60/04/395846004.db2.gz MZNMQKMMKWNBBT-LBPRGKRZSA-N 1 1 322.321 0.110 20 5 DCBDMO CN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccc[nH+]c21 ZINC000270698918 395799448 /nfs/dbraw/zinc/79/94/48/395799448.db2.gz ZVJBSQFTYSUGIP-LBPRGKRZSA-N 1 1 318.337 0.504 20 5 DCBDMO Cc1cc(S(=O)(=O)N2CC([NH+](C)C)C2)cc([N+](=O)[O-])c1F ZINC000272162185 395874310 /nfs/dbraw/zinc/87/43/10/395874310.db2.gz ZKURBIYAYMMHRV-UHFFFAOYSA-N 1 1 317.342 0.977 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC000246888798 395960205 /nfs/dbraw/zinc/96/02/05/395960205.db2.gz VDOSRDVHAWEYHD-YUTCNCBUSA-N 1 1 310.354 0.653 20 5 DCBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000248178020 395983518 /nfs/dbraw/zinc/98/35/18/395983518.db2.gz VYAIVPGXOXULAI-DGCLKSJQSA-N 1 1 307.354 0.734 20 5 DCBDMO CC(C)C[C@@H]1COCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075743917 396186054 /nfs/dbraw/zinc/18/60/54/396186054.db2.gz ODAWVJVYDRJNBS-OCCSQVGLSA-N 1 1 312.370 0.899 20 5 DCBDMO C[N@@H+](CC(=O)NC1CC1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181532448 396239793 /nfs/dbraw/zinc/23/97/93/396239793.db2.gz OWSXUWAMLXMJTP-LBPRGKRZSA-N 1 1 323.349 0.545 20 5 DCBDMO C[N@H+](CC(=O)NC1CC1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181532448 396239795 /nfs/dbraw/zinc/23/97/95/396239795.db2.gz OWSXUWAMLXMJTP-LBPRGKRZSA-N 1 1 323.349 0.545 20 5 DCBDMO CN(C)CC[NH+]1CCC(Nc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000079884803 396271866 /nfs/dbraw/zinc/27/18/66/396271866.db2.gz UWTLMUMULTZSNW-UHFFFAOYSA-N 1 1 309.374 0.405 20 5 DCBDMO CC[N@H+](CCOCCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282229294 396273637 /nfs/dbraw/zinc/27/36/37/396273637.db2.gz ZFPNZUHDRARSHI-UHFFFAOYSA-N 1 1 311.338 0.864 20 5 DCBDMO CC[N@@H+](CCOCCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282229294 396273639 /nfs/dbraw/zinc/27/36/39/396273639.db2.gz ZFPNZUHDRARSHI-UHFFFAOYSA-N 1 1 311.338 0.864 20 5 DCBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000269047691 396382585 /nfs/dbraw/zinc/38/25/85/396382585.db2.gz PFOBWPLDRNJFGF-GWCFXTLKSA-N 1 1 322.369 0.573 20 5 DCBDMO O=C([C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000287581170 396410051 /nfs/dbraw/zinc/41/00/51/396410051.db2.gz XUPNZANHRSDSAK-LBPRGKRZSA-N 1 1 307.354 0.736 20 5 DCBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1(CO)CCOCC1 ZINC000191032473 396414688 /nfs/dbraw/zinc/41/46/88/396414688.db2.gz WAAANRGQGPHVIN-UHFFFAOYSA-N 1 1 311.338 0.230 20 5 DCBDMO NC(=O)C[C@@H]([NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269741928 396441668 /nfs/dbraw/zinc/44/16/68/396441668.db2.gz WDKNBLLIQMJJMK-SECBINFHSA-N 1 1 300.702 0.067 20 5 DCBDMO C[C@H](CO)[C@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595680377 396647974 /nfs/dbraw/zinc/64/79/74/396647974.db2.gz ZYZSQCBDQZEWIU-MRVWCRGKSA-N 1 1 312.370 0.635 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000582309686 396603624 /nfs/dbraw/zinc/60/36/24/396603624.db2.gz MACSINUEGTWIFJ-GFCCVEGCSA-N 1 1 309.370 0.625 20 5 DCBDMO COCCn1nnc2c1CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000293503550 396613937 /nfs/dbraw/zinc/61/39/37/396613937.db2.gz HPANVQIRXXEJMP-UHFFFAOYSA-N 1 1 321.341 0.088 20 5 DCBDMO COCCn1nnc2c1CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000293503550 396613940 /nfs/dbraw/zinc/61/39/40/396613940.db2.gz HPANVQIRXXEJMP-UHFFFAOYSA-N 1 1 321.341 0.088 20 5 DCBDMO C[C@H](CO)C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000590206029 396745227 /nfs/dbraw/zinc/74/52/27/396745227.db2.gz LGERTKKLNMQZJJ-LBPRGKRZSA-N 1 1 307.350 0.981 20 5 DCBDMO CC[N@@H+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000611088248 396814666 /nfs/dbraw/zinc/81/46/66/396814666.db2.gz LFWJVLVOIXDXQB-NSHDSACASA-N 1 1 308.338 0.309 20 5 DCBDMO CC[N@H+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000611088248 396814674 /nfs/dbraw/zinc/81/46/74/396814674.db2.gz LFWJVLVOIXDXQB-NSHDSACASA-N 1 1 308.338 0.309 20 5 DCBDMO O=C(CCc1cccc([N+](=O)[O-])c1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600531157 396885536 /nfs/dbraw/zinc/88/55/36/396885536.db2.gz DSPXEDGYSAJETQ-CQSZACIVSA-N 1 1 307.350 0.710 20 5 DCBDMO C[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000611598454 396894545 /nfs/dbraw/zinc/89/45/45/396894545.db2.gz ZJHQSBJDYRTXHN-BXKDBHETSA-N 1 1 309.326 0.252 20 5 DCBDMO C[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000611598454 396894549 /nfs/dbraw/zinc/89/45/49/396894549.db2.gz ZJHQSBJDYRTXHN-BXKDBHETSA-N 1 1 309.326 0.252 20 5 DCBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000600701181 396922675 /nfs/dbraw/zinc/92/26/75/396922675.db2.gz DXAGASFLUFURHO-SNVBAGLBSA-N 1 1 312.301 0.922 20 5 DCBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000618374532 396973454 /nfs/dbraw/zinc/97/34/54/396973454.db2.gz AQKXLBZOCZHIBD-LLVKDONJSA-N 1 1 324.337 0.536 20 5 DCBDMO CCc1n[nH]c(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000377593228 397107481 /nfs/dbraw/zinc/10/74/81/397107481.db2.gz MJCXTRYGUJTCBQ-NXEZZACHSA-N 1 1 323.353 0.473 20 5 DCBDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)C1 ZINC000619787783 397192225 /nfs/dbraw/zinc/19/22/25/397192225.db2.gz UGUCFLQBOAIUOM-LLVKDONJSA-N 1 1 322.369 0.170 20 5 DCBDMO COC(=O)[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C1CC1 ZINC000593128272 397331736 /nfs/dbraw/zinc/33/17/36/397331736.db2.gz CPFSDLJAMCZPQP-QWHCGFSZSA-N 1 1 308.338 0.922 20 5 DCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593461186 397370864 /nfs/dbraw/zinc/37/08/64/397370864.db2.gz MGLVFRGYNJYRJM-ZDUSSCGKSA-N 1 1 324.356 0.638 20 5 DCBDMO O=[N+]([O-])c1ccn(CCN2CCC([NH+]3CCOCC3)CC2)n1 ZINC000599474319 397452458 /nfs/dbraw/zinc/45/24/58/397452458.db2.gz OGYCKJAEZPHDTQ-UHFFFAOYSA-N 1 1 309.370 0.588 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000599530914 397466187 /nfs/dbraw/zinc/46/61/87/397466187.db2.gz CNHHUCUFXWFXPQ-RYUDHWBXSA-N 1 1 323.349 0.374 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H](C)CN1CCOCC1 ZINC000602819405 397494994 /nfs/dbraw/zinc/49/49/94/397494994.db2.gz AXHLQUDGMXMZJA-LBPRGKRZSA-N 1 1 311.386 0.752 20 5 DCBDMO CC(=O)NC[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000599689298 397505959 /nfs/dbraw/zinc/50/59/59/397505959.db2.gz IRXHUEXNZQQLLH-CYBMUJFWSA-N 1 1 322.365 0.747 20 5 DCBDMO C[N@H+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000603432514 397611341 /nfs/dbraw/zinc/61/13/41/397611341.db2.gz RNIVHPZJAKBXKZ-UHFFFAOYSA-N 1 1 310.358 0.527 20 5 DCBDMO COCC[N@H+]1CCC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000609269797 397768342 /nfs/dbraw/zinc/76/83/42/397768342.db2.gz WWEJFAUZPMUQEI-LLVKDONJSA-N 1 1 311.342 0.018 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000609674472 397789922 /nfs/dbraw/zinc/78/99/22/397789922.db2.gz GWIQFENCJBFMOW-LBPRGKRZSA-N 1 1 308.386 0.545 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000610336519 397814779 /nfs/dbraw/zinc/81/47/79/397814779.db2.gz VCSOJKQIBAZLQL-GXTWGEPZSA-N 1 1 320.353 0.686 20 5 DCBDMO COc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000054371028 286348981 /nfs/dbraw/zinc/34/89/81/286348981.db2.gz QQCMSOYLBFKIGG-SECBINFHSA-N 1 1 315.351 0.586 20 5 DCBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000113196651 158145245 /nfs/dbraw/zinc/14/52/45/158145245.db2.gz NYPPLFXNQDABOH-NSHDSACASA-N 1 1 310.358 0.567 20 5 DCBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000320777057 159010869 /nfs/dbraw/zinc/01/08/69/159010869.db2.gz LUKUSPFPLLUDBY-NEPJUHHUSA-N 1 1 320.349 0.770 20 5 DCBDMO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000368050084 159371687 /nfs/dbraw/zinc/37/16/87/159371687.db2.gz YPOHUGKVNFLIHK-MNOVXSKESA-N 1 1 320.349 0.770 20 5 DCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000408054604 160024342 /nfs/dbraw/zinc/02/43/42/160024342.db2.gz SWKFCNUJDNSPNT-QWRGUYRKSA-N 1 1 307.354 0.885 20 5 DCBDMO CNC(=O)N[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000342364023 415155053 /nfs/dbraw/zinc/15/50/53/415155053.db2.gz PCBFWHTVNCFTGY-LLVKDONJSA-N 1 1 308.338 0.977 20 5 DCBDMO C[C@]1(CCCO)CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352884923 415361507 /nfs/dbraw/zinc/36/15/07/415361507.db2.gz BQRXUOPYJPBAMQ-ZIAGYGMSSA-N 1 1 312.370 0.779 20 5 DCBDMO CC[C@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)CC[N@H+]1C[C@@H](C)O ZINC000114709514 415721925 /nfs/dbraw/zinc/72/19/25/415721925.db2.gz FWYBITBQPLIYHG-PWSUYJOCSA-N 1 1 311.386 0.918 20 5 DCBDMO CN(C)c1[nH+]cc(CNc2nccc(C(N)=O)c2[N+](=O)[O-])n1C ZINC000290491598 415811697 /nfs/dbraw/zinc/81/16/97/415811697.db2.gz CLWSTJXKDYCTMN-UHFFFAOYSA-N 1 1 319.325 0.500 20 5 DCBDMO C[NH+](C)[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccco1 ZINC000336908155 415857149 /nfs/dbraw/zinc/85/71/49/415857149.db2.gz ZOJFPNTXRMTVRP-SECBINFHSA-N 1 1 308.298 0.198 20 5 DCBDMO Cc1ccc(NC(=O)C(=O)NCC[NH+]2CCC2)cc1[N+](=O)[O-] ZINC000337516035 415970855 /nfs/dbraw/zinc/97/08/55/415970855.db2.gz VALNENKSNZFFRT-UHFFFAOYSA-N 1 1 306.322 0.664 20 5 DCBDMO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[NH+](CCO)CC1 ZINC000298108038 415992368 /nfs/dbraw/zinc/99/23/68/415992368.db2.gz OMHWBWAJADUIIU-UHFFFAOYSA-N 1 1 318.333 0.826 20 5 DCBDMO CC[N@@H+]1CCO[C@@H](C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000174161705 416074153 /nfs/dbraw/zinc/07/41/53/416074153.db2.gz VKOBMDQIVKNRBI-CQSZACIVSA-N 1 1 323.349 0.940 20 5 DCBDMO CC[N@H+]1CCO[C@@H](C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000174161705 416074155 /nfs/dbraw/zinc/07/41/55/416074155.db2.gz VKOBMDQIVKNRBI-CQSZACIVSA-N 1 1 323.349 0.940 20 5 DCBDMO COC(=O)CNC(=O)[C@@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338363735 416084856 /nfs/dbraw/zinc/08/48/56/416084856.db2.gz WVZIAKRZGWBHKU-LLVKDONJSA-N 1 1 323.349 0.747 20 5 DCBDMO Cc1nc(NC[C@](C)(O)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000301669206 416087946 /nfs/dbraw/zinc/08/79/46/416087946.db2.gz PPPHVUSBRNXNGM-AWEZNQCLSA-N 1 1 310.354 0.793 20 5 DCBDMO CN(C)C(=O)CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345667613 416130493 /nfs/dbraw/zinc/13/04/93/416130493.db2.gz VQKXYGNXJSVIRJ-NSHDSACASA-N 1 1 307.354 0.954 20 5 DCBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@H+]1CC(C)(C)O ZINC000331272426 416298218 /nfs/dbraw/zinc/29/82/18/416298218.db2.gz GVRQQCWGXHPAQG-SNVBAGLBSA-N 1 1 310.354 0.840 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000535706574 416523625 /nfs/dbraw/zinc/52/36/25/416523625.db2.gz HCBUEIPPIKOKJP-LBPRGKRZSA-N 1 1 324.381 0.900 20 5 DCBDMO C[C@@H]1C[N@H+](CCNc2ccc3ncc([N+](=O)[O-])n3n2)[C@H](C)CO1 ZINC000596432833 416583231 /nfs/dbraw/zinc/58/32/31/416583231.db2.gz SZUVNHQCMWNTPP-GHMZBOCLSA-N 1 1 320.353 1.159 20 5 DCBDMO C[C@@H]1C[N@@H+](CCNc2ccc3ncc([N+](=O)[O-])n3n2)[C@H](C)CO1 ZINC000596432833 416583234 /nfs/dbraw/zinc/58/32/34/416583234.db2.gz SZUVNHQCMWNTPP-GHMZBOCLSA-N 1 1 320.353 1.159 20 5 DCBDMO Nc1nc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)ncc1[N+](=O)[O-] ZINC000596570418 416584071 /nfs/dbraw/zinc/58/40/71/416584071.db2.gz KPCXFGUISRLXDL-NSHDSACASA-N 1 1 306.370 0.923 20 5 DCBDMO O=C(CC[N@@H+]1CC[C@H](CO)[C@@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000558166776 416764494 /nfs/dbraw/zinc/76/44/94/416764494.db2.gz VNSDCNWQQURGIR-RISCZKNCSA-N 1 1 323.349 0.599 20 5 DCBDMO COC(=O)COc1ccc(CNC[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000414885806 417312913 /nfs/dbraw/zinc/31/29/13/417312913.db2.gz XMRBUOIPDILZNI-JTQLQIEISA-N 1 1 311.338 0.831 20 5 DCBDMO Cc1cc(C[C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000571198744 417432669 /nfs/dbraw/zinc/43/26/69/417432669.db2.gz XJGQKPHYONPVIQ-RNCFNFMXSA-N 1 1 308.342 0.405 20 5 DCBDMO O=C1NC(=O)[C@@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000451625088 417367353 /nfs/dbraw/zinc/36/73/53/417367353.db2.gz OWINFNAUSFRLBR-AOOOYVTPSA-N 1 1 305.290 0.178 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)c1 ZINC000453010494 417517483 /nfs/dbraw/zinc/51/74/83/417517483.db2.gz GLZVRKZIRBDFMX-KFWWJZLASA-N 1 1 322.365 0.796 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)c1 ZINC000453010494 417517488 /nfs/dbraw/zinc/51/74/88/417517488.db2.gz GLZVRKZIRBDFMX-KFWWJZLASA-N 1 1 322.365 0.796 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCSC[C@H]2C2CC2)c1 ZINC000576467313 417612197 /nfs/dbraw/zinc/61/21/97/417612197.db2.gz WQAXXCSQZORCSC-OLZOCXBDSA-N 1 1 312.395 0.980 20 5 DCBDMO C[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@@H]1C[N@H+](C)CCO1 ZINC000301985186 230019611 /nfs/dbraw/zinc/01/96/11/230019611.db2.gz YXSIDPQCYDGURS-ZJUUUORDSA-N 1 1 306.326 0.769 20 5 DCBDMO C[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@@H]1C[N@@H+](C)CCO1 ZINC000301985186 230019614 /nfs/dbraw/zinc/01/96/14/230019614.db2.gz YXSIDPQCYDGURS-ZJUUUORDSA-N 1 1 306.326 0.769 20 5 DCBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000354421237 261217443 /nfs/dbraw/zinc/21/74/43/261217443.db2.gz NWRBHAXKFYVYSU-JTQLQIEISA-N 1 1 310.358 0.074 20 5 DCBDMO Cc1c(CC(=O)NC[C@@]2(O)CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000358053461 261621268 /nfs/dbraw/zinc/62/12/68/261621268.db2.gz IRBUEUGIMRDVNI-HNNXBMFYSA-N 1 1 307.350 0.629 20 5 DCBDMO C[C@H]1CC(=O)NCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000363681144 262127768 /nfs/dbraw/zinc/12/77/68/262127768.db2.gz UFUIEXBEVUAOPT-RYUDHWBXSA-N 1 1 323.349 0.545 20 5 DCBDMO C[C@H]1CC(=O)NCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000363681144 262127769 /nfs/dbraw/zinc/12/77/69/262127769.db2.gz UFUIEXBEVUAOPT-RYUDHWBXSA-N 1 1 323.349 0.545 20 5 DCBDMO C[C@@H]1CC(=O)NCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000363681142 262127790 /nfs/dbraw/zinc/12/77/90/262127790.db2.gz UFUIEXBEVUAOPT-NEPJUHHUSA-N 1 1 323.349 0.545 20 5 DCBDMO C[C@@H]1CC(=O)NCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000363681142 262127791 /nfs/dbraw/zinc/12/77/91/262127791.db2.gz UFUIEXBEVUAOPT-NEPJUHHUSA-N 1 1 323.349 0.545 20 5 DCBDMO C[N@H+]1CC[C@@](O)(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000358655971 271063179 /nfs/dbraw/zinc/06/31/79/271063179.db2.gz YUNQDWFJHABFEG-OAHLLOKOSA-N 1 1 322.365 0.503 20 5 DCBDMO O=[N+]([O-])c1cc2c(ncnc2N2CC[NH+](CCO)CC2)s1 ZINC000314487018 275034146 /nfs/dbraw/zinc/03/41/46/275034146.db2.gz WWXUJFGWPZKTDP-UHFFFAOYSA-N 1 1 309.351 0.714 20 5 DCBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CCO)CC3)nc2c1 ZINC000274840071 275037536 /nfs/dbraw/zinc/03/75/36/275037536.db2.gz OIAZRZIGEUJDBY-UHFFFAOYSA-N 1 1 305.338 0.976 20 5 DCBDMO C[N@H+]1CCO[C@H]2CN(c3cccc(C(N)=O)c3[N+](=O)[O-])C[C@@H]21 ZINC000342707509 277131856 /nfs/dbraw/zinc/13/18/56/277131856.db2.gz STPBRYODZDQITJ-RYUDHWBXSA-N 1 1 306.322 0.213 20 5 DCBDMO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000555290533 288348010 /nfs/dbraw/zinc/34/80/10/288348010.db2.gz MBAXXZWHVZLUIS-SNVBAGLBSA-N 1 1 310.358 0.074 20 5 DCBDMO COc1cc(C[NH2+]C2CN(C(C)=O)C2)c([N+](=O)[O-])cc1OC ZINC000570739984 332809781 /nfs/dbraw/zinc/80/97/81/332809781.db2.gz XIRUXCULXKXLMI-UHFFFAOYSA-N 1 1 309.322 0.932 20 5 DCBDMO Cn1cc(Cl)c(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000393314223 337091930 /nfs/dbraw/zinc/09/19/30/337091930.db2.gz FZPDBUONWMPSIT-VIFPVBQESA-N 1 1 314.733 0.329 20 5 DCBDMO CCOc1cc(C[NH2+][C@]2(C(N)=O)CCOC2)ccc1[N+](=O)[O-] ZINC000583211732 337272875 /nfs/dbraw/zinc/27/28/75/337272875.db2.gz FDVONKRTCFTOSG-CQSZACIVSA-N 1 1 309.322 0.728 20 5 DCBDMO C[NH+](C)CCN1CCC(CNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000160420845 521757649 /nfs/dbraw/zinc/75/76/49/521757649.db2.gz KDDWKHLQTSRPLU-UHFFFAOYSA-N 1 1 324.385 0.321 20 5 DCBDMO CN(C)CC[NH+]1CCC(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000160420845 521757656 /nfs/dbraw/zinc/75/76/56/521757656.db2.gz KDDWKHLQTSRPLU-UHFFFAOYSA-N 1 1 324.385 0.321 20 5 DCBDMO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246965301 526239791 /nfs/dbraw/zinc/23/97/91/526239791.db2.gz VEKSLDJBAPNRKO-WDEREUQCSA-N 1 1 307.354 0.953 20 5 DCBDMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246965301 526239797 /nfs/dbraw/zinc/23/97/97/526239797.db2.gz VEKSLDJBAPNRKO-WDEREUQCSA-N 1 1 307.354 0.953 20 5 DCBDMO O=C(C[N@H+]1CC[C@@H](CO)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000156179348 526798598 /nfs/dbraw/zinc/79/85/98/526798598.db2.gz YTVZAIFCRZMWCJ-LLVKDONJSA-N 1 1 305.334 0.798 20 5 DCBDMO O=C(C[N@@H+]1CC[C@@H](CO)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000156179348 526798600 /nfs/dbraw/zinc/79/86/00/526798600.db2.gz YTVZAIFCRZMWCJ-LLVKDONJSA-N 1 1 305.334 0.798 20 5 DCBDMO CC[N@H+]1C[C@@H](C)[C@@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821241858 606719753 /nfs/dbraw/zinc/71/97/53/606719753.db2.gz PIOLKXQEWHPXRW-SCZZXKLOSA-N 1 1 318.341 0.922 20 5 DCBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1ncn[nH]1 ZINC001022869272 658714614 /nfs/dbraw/zinc/71/46/14/658714614.db2.gz UWKBIMOWIPVRQW-DTORHVGOSA-N 1 1 322.350 0.825 20 5 DCBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1nc[nH]n1 ZINC001022869272 658714616 /nfs/dbraw/zinc/71/46/16/658714616.db2.gz UWKBIMOWIPVRQW-DTORHVGOSA-N 1 1 322.350 0.825 20 5 DCBDMO Cc1nccnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000983657730 662001737 /nfs/dbraw/zinc/00/17/37/662001737.db2.gz LZGRRASUGPKNFW-HKUMRIAESA-N 1 1 319.365 0.435 20 5 DCBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000896577849 662294922 /nfs/dbraw/zinc/29/49/22/662294922.db2.gz SMCPEMZJWRJCFS-RISCZKNCSA-N 1 1 321.381 0.662 20 5 DCBDMO COc1ccc(CN2CC[C@@H]([NH2+]CC[N+](=O)[O-])C2=O)c(OC)c1 ZINC000905263054 663543132 /nfs/dbraw/zinc/54/31/32/663543132.db2.gz SSAGVVRZDMNEJX-CYBMUJFWSA-N 1 1 323.349 0.671 20 5 DCBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905904683 663588085 /nfs/dbraw/zinc/58/80/85/663588085.db2.gz MQEDJEIKMATAJS-DZGCQCFKSA-N 1 1 310.350 0.929 20 5 DCBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905904683 663588086 /nfs/dbraw/zinc/58/80/86/663588086.db2.gz MQEDJEIKMATAJS-DZGCQCFKSA-N 1 1 310.350 0.929 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)OCCC[NH+]1CCOCC1 ZINC000910203663 663851047 /nfs/dbraw/zinc/85/10/47/663851047.db2.gz DUXYNYVKENPMDS-UHFFFAOYSA-N 1 1 312.326 0.365 20 5 DCBDMO COc1ccc(C(=O)N(C)CC[N@@H+](C)CCO)cc1[N+](=O)[O-] ZINC000912611652 664195645 /nfs/dbraw/zinc/19/56/45/664195645.db2.gz SAQNKGMEXSOPIM-UHFFFAOYSA-N 1 1 311.338 0.600 20 5 DCBDMO CN(CC[N@@H+](C)CCO)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000912612319 664195894 /nfs/dbraw/zinc/19/58/94/664195894.db2.gz NMNQHHJEKOPVHK-UHFFFAOYSA-N 1 1 311.338 0.356 20 5 DCBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000913537249 664338662 /nfs/dbraw/zinc/33/86/62/664338662.db2.gz DKXIKVAMMOTDLK-PHIMTYICSA-N 1 1 306.322 0.062 20 5 DCBDMO C[N@@H+]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1CO ZINC000913541714 664344268 /nfs/dbraw/zinc/34/42/68/664344268.db2.gz TXEPYGSTKXCYTG-LBPRGKRZSA-N 1 1 311.313 0.411 20 5 DCBDMO C[N@H+]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1CO ZINC000913541714 664344270 /nfs/dbraw/zinc/34/42/70/664344270.db2.gz TXEPYGSTKXCYTG-LBPRGKRZSA-N 1 1 311.313 0.411 20 5 DCBDMO Cn1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC000996428856 666790540 /nfs/dbraw/zinc/79/05/40/666790540.db2.gz JHLWPTWGNNAWKR-CHWSQXEVSA-N 1 1 307.354 0.166 20 5 DCBDMO Cc1ncoc1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996428761 666790670 /nfs/dbraw/zinc/79/06/70/666790670.db2.gz HCHKDEQZHWTPHK-VXGBXAGGSA-N 1 1 308.338 0.729 20 5 DCBDMO C[C@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)CC[N@@H+]1CCO ZINC000865689345 667339140 /nfs/dbraw/zinc/33/91/40/667339140.db2.gz DMKYVJDNVZNNLX-JTQLQIEISA-N 1 1 313.329 0.729 20 5 DCBDMO C[C@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)CC[N@H+]1CCO ZINC000865689345 667339143 /nfs/dbraw/zinc/33/91/43/667339143.db2.gz DMKYVJDNVZNNLX-JTQLQIEISA-N 1 1 313.329 0.729 20 5 DCBDMO CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329836 667506032 /nfs/dbraw/zinc/50/60/32/667506032.db2.gz ZEGMASMIFUIGPJ-IIKSMHAQSA-N 1 1 309.370 0.367 20 5 DCBDMO COCC(COC)[NH+]1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886245530 667745326 /nfs/dbraw/zinc/74/53/26/667745326.db2.gz YPSGTQFXTZMEPN-UHFFFAOYSA-N 1 1 324.381 0.769 20 5 DCBDMO O=[N+]([O-])c1c(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)nc2sccn21 ZINC000872758315 667935951 /nfs/dbraw/zinc/93/59/51/667935951.db2.gz RKRPNGWNCIPDRL-VHSXEESVSA-N 1 1 323.378 0.949 20 5 DCBDMO Cc1cc(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000762720879 668374447 /nfs/dbraw/zinc/37/44/47/668374447.db2.gz FHQVVSCDBFOXSG-AWEZNQCLSA-N 1 1 308.338 0.282 20 5 DCBDMO Cc1ccc(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000877721162 668642293 /nfs/dbraw/zinc/64/22/93/668642293.db2.gz YETAPBGKDIVRHK-TXEJJXNPSA-N 1 1 303.318 0.950 20 5 DCBDMO COc1cc(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000879695964 669092744 /nfs/dbraw/zinc/09/27/44/669092744.db2.gz YAUIEJHXYFEDGY-PHIMTYICSA-N 1 1 314.313 0.775 20 5 DCBDMO COc1cc(C[N@H+]2C[C@H](CO)[C@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000879695964 669092746 /nfs/dbraw/zinc/09/27/46/669092746.db2.gz YAUIEJHXYFEDGY-PHIMTYICSA-N 1 1 314.313 0.775 20 5 DCBDMO CO[C@H]1CC(=O)N(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000782860094 669125950 /nfs/dbraw/zinc/12/59/50/669125950.db2.gz MLMMUULBXLHLJU-LBPRGKRZSA-N 1 1 323.353 0.633 20 5 DCBDMO CC[N@H+]1CCC[C@H](CNC(=O)Cn2c(C)ncc2[N+](=O)[O-])C1 ZINC000931125433 669137490 /nfs/dbraw/zinc/13/74/90/669137490.db2.gz HXQXBZIEJAXWLA-GFCCVEGCSA-N 1 1 309.370 0.948 20 5 DCBDMO CN1C[C@]2(C)C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000931309636 669176743 /nfs/dbraw/zinc/17/67/43/669176743.db2.gz FFJORIVZQXHPPC-KFWWJZLASA-N 1 1 323.397 0.426 20 5 DCBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000931393857 669188665 /nfs/dbraw/zinc/18/86/65/669188665.db2.gz MQRCEUCQHRBFIE-BETUJISGSA-N 1 1 304.350 0.972 20 5 DCBDMO C[C@@]1(C(N)=O)CC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000794712702 669860399 /nfs/dbraw/zinc/86/03/99/669860399.db2.gz XNSMAVZWTRIZIT-CQSZACIVSA-N 1 1 320.305 0.658 20 5 DCBDMO C[C@@]1(C(N)=O)CC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000794712702 669860403 /nfs/dbraw/zinc/86/04/03/669860403.db2.gz XNSMAVZWTRIZIT-CQSZACIVSA-N 1 1 320.305 0.658 20 5 DCBDMO Cc1nn(C[N@H+]2CC[C@](C)(C(N)=O)C2)c2ncc([N+](=O)[O-])cc12 ZINC000794711863 669860830 /nfs/dbraw/zinc/86/08/30/669860830.db2.gz KZLPPHIBRJDBKG-AWEZNQCLSA-N 1 1 318.337 0.803 20 5 DCBDMO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2nnnn2CC2CC2)cc1 ZINC000819237824 671104249 /nfs/dbraw/zinc/10/42/49/671104249.db2.gz OZBCFRWPOUWZHB-CYBMUJFWSA-N 1 1 318.337 0.815 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000820342413 671193780 /nfs/dbraw/zinc/19/37/80/671193780.db2.gz MNSVDGICNJUOQZ-AWEZNQCLSA-N 1 1 307.354 0.654 20 5 DCBDMO Cc1nn(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000853555551 671243757 /nfs/dbraw/zinc/24/37/57/671243757.db2.gz KZRRUKWXDIFBQD-RYUDHWBXSA-N 1 1 307.354 0.966 20 5 DCBDMO Cc1nn(C[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000853555551 671243758 /nfs/dbraw/zinc/24/37/58/671243758.db2.gz KZRRUKWXDIFBQD-RYUDHWBXSA-N 1 1 307.354 0.966 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000827191367 671518029 /nfs/dbraw/zinc/51/80/29/671518029.db2.gz CLGXKTSOFITDPY-GFCCVEGCSA-N 1 1 309.370 0.948 20 5 DCBDMO C[C@@H]1C[N@@H+](CCO)CCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000829577999 671580352 /nfs/dbraw/zinc/58/03/52/671580352.db2.gz UGDKBTTZGQZHEA-LLVKDONJSA-N 1 1 305.338 0.745 20 5 DCBDMO [NH3+]C1(c2nc(CC(=O)NCc3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000843224242 672072360 /nfs/dbraw/zinc/07/23/60/672072360.db2.gz MSVFNVUYZCFCFP-UHFFFAOYSA-N 1 1 317.305 0.785 20 5 DCBDMO COc1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)on1 ZINC001020139844 693710918 /nfs/dbraw/zinc/71/09/18/693710918.db2.gz ODHJCROSMFODOJ-YJFSRANCSA-N 1 1 310.310 0.085 20 5 DCBDMO CCNC(=O)[C@@H](C)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001577785904 1164792818 /nfs/dbraw/zinc/79/28/18/1164792818.db2.gz VWBLRYIILIRDEH-OTYXRUKQSA-N 1 1 308.338 0.410 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](C)OC2(CC[NH2+]CC2)C1 ZINC001579877236 1165420535 /nfs/dbraw/zinc/42/05/35/1165420535.db2.gz FBMOIJPWYVWFOY-GFCCVEGCSA-N 1 1 323.397 0.943 20 5 DCBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001587411909 1166507739 /nfs/dbraw/zinc/50/77/39/1166507739.db2.gz CGCOSLULJBKJQW-OAHLLOKOSA-N 1 1 323.349 0.292 20 5 DCBDMO C[C@H]1[C@H](CO)CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590167042 1166796480 /nfs/dbraw/zinc/79/64/80/1166796480.db2.gz BLPYDFMHFZLRCW-CABZTGNLSA-N 1 1 318.337 0.978 20 5 DCBDMO C[N@@H+]1C[C@H]2CN(c3cc(-c4nn[nH]n4)ccc3[N+](=O)[O-])C[C@H]2C1 ZINC001591196217 1167145355 /nfs/dbraw/zinc/14/53/55/1167145355.db2.gz HTWWIHJYALLNCC-PHIMTYICSA-N 1 1 315.337 0.773 20 5 DCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1CN1CCn2cc[nH+]c21 ZINC001593466687 1167857199 /nfs/dbraw/zinc/85/71/99/1167857199.db2.gz DMNXQVBUCBSQJL-UHFFFAOYSA-N 1 1 312.293 0.992 20 5 DCBDMO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1CCC[C@@H]1CO ZINC001593480839 1167867493 /nfs/dbraw/zinc/86/74/93/1167867493.db2.gz CYRXGRTWLUDCLH-SECBINFHSA-N 1 1 304.310 0.732 20 5 DCBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C)n2)CC1 ZINC001596657035 1167994526 /nfs/dbraw/zinc/99/45/26/1167994526.db2.gz XUXPYBQLWAIXLQ-LBPRGKRZSA-N 1 1 322.365 0.827 20 5 DCBDMO COc1ccc(CNC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)cc1[N+](=O)[O-] ZINC001596969931 1167999586 /nfs/dbraw/zinc/99/95/86/1167999586.db2.gz BPFZBJNYKUZRFP-IAQYHMDHSA-N 1 1 323.349 0.675 20 5 DCBDMO C[C@H]1[C@H](CO)CC[N@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001603834352 1169408030 /nfs/dbraw/zinc/40/80/30/1169408030.db2.gz JTOWBUVERNLOQC-UWVGGRQHSA-N 1 1 318.337 0.978 20 5 DCBDMO CC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@@H](C)CO ZINC001604322140 1169553425 /nfs/dbraw/zinc/55/34/25/1169553425.db2.gz WPOPAWMMFMBCCW-VIFPVBQESA-N 1 1 306.326 0.978 20 5 DCBDMO C[C@@H]1C[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC[C@@H]1O ZINC001609172884 1170842550 /nfs/dbraw/zinc/84/25/50/1170842550.db2.gz BCERFRYXTVVLJI-RNCFNFMXSA-N 1 1 318.337 0.978 20 5 DCBDMO CC[C@@H]1C[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C[C@@H]1O ZINC001609202608 1170868102 /nfs/dbraw/zinc/86/81/02/1170868102.db2.gz MFAFNZKLFAVILF-RNCFNFMXSA-N 1 1 318.337 0.978 20 5 DCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC001609599874 1171039558 /nfs/dbraw/zinc/03/95/58/1171039558.db2.gz FTDFALQLUBBXJY-SMDDNHRTSA-N 1 1 316.321 0.589 20 5 DCBDMO C[N@H+]1CC[C@H]2CN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC[C@@H]21 ZINC001612770333 1171364169 /nfs/dbraw/zinc/36/41/69/1171364169.db2.gz ZFEPJTWAOQFZEY-CABZTGNLSA-N 1 1 305.338 0.619 20 5 DCBDMO O=[N+]([O-])c1cccc2c1ccnc2NC[C@]1(CO)COCC[NH2+]1 ZINC001612848732 1171365057 /nfs/dbraw/zinc/36/50/57/1171365057.db2.gz DGFVKNZUOYFCLC-HNNXBMFYSA-N 1 1 318.333 0.906 20 5 DCBDMO C[C@H]1[C@@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC[N@H+]1C ZINC001612939397 1171365483 /nfs/dbraw/zinc/36/54/83/1171365483.db2.gz CHMAUODMQVSLQV-WPRPVWTQSA-N 1 1 314.367 0.747 20 5 DCBDMO C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001631783159 1171600202 /nfs/dbraw/zinc/60/02/02/1171600202.db2.gz AYTBWTSWHGSDIP-RFQIPJPRSA-N 1 1 310.398 0.136 20 5 DCBDMO NC(=O)c1ccnc(NC[C@@H]2CCCC[N@H+]2CCO)c1[N+](=O)[O-] ZINC001642713785 1171953677 /nfs/dbraw/zinc/95/36/77/1171953677.db2.gz YTUNQGQJWPDNJK-JTQLQIEISA-N 1 1 323.353 0.347 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)n1 ZINC001643089209 1171964575 /nfs/dbraw/zinc/96/45/75/1171964575.db2.gz HKHYSSKEWRVZRK-RYUDHWBXSA-N 1 1 322.365 0.825 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)n1 ZINC001643089209 1171964580 /nfs/dbraw/zinc/96/45/80/1171964580.db2.gz HKHYSSKEWRVZRK-RYUDHWBXSA-N 1 1 322.365 0.825 20 5 DCBDMO Cc1ccc(NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)c(N)c1[N+](=O)[O-] ZINC001653218154 1173782638 /nfs/dbraw/zinc/78/26/38/1173782638.db2.gz VDENLEHCELWPNF-JQWIXIFHSA-N 1 1 319.365 0.812 20 5 DCBDMO Cc1ccc(NC(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)c(N)c1[N+](=O)[O-] ZINC001653218147 1173782686 /nfs/dbraw/zinc/78/26/86/1173782686.db2.gz VDENLEHCELWPNF-CMPLNLGQSA-N 1 1 319.365 0.812 20 5 DCBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC001659064045 1173929528 /nfs/dbraw/zinc/92/95/28/1173929528.db2.gz IQLCEGHDSKRNNZ-STQMWFEESA-N 1 1 324.381 0.143 20 5 DCBDMO Cn1cc(C[N@H+]2C[C@@]3(CO)CCCC[C@@]3(CO)C2)c([N+](=O)[O-])n1 ZINC001660484371 1173995845 /nfs/dbraw/zinc/99/58/45/1173995845.db2.gz OCBOKPDABWRXTQ-GASCZTMLSA-N 1 1 324.381 0.675 20 5 DCBDMO Cn1cc(C[N@@H+]2C[C@@]3(CO)CCCC[C@@]3(CO)C2)c([N+](=O)[O-])n1 ZINC001660484371 1173995849 /nfs/dbraw/zinc/99/58/49/1173995849.db2.gz OCBOKPDABWRXTQ-GASCZTMLSA-N 1 1 324.381 0.675 20 5 DCBDMO CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC[NH+](CCCO)CC1 ZINC001690134272 1177178314 /nfs/dbraw/zinc/17/83/14/1177178314.db2.gz MBJIGSFYMJDOCO-ZIAGYGMSSA-N 1 1 313.398 0.737 20 5 DCBDMO COc1ncccc1C[NH2+]CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001713591348 1180950476 /nfs/dbraw/zinc/95/04/76/1180950476.db2.gz KJYQSGYLSRVLJD-VXGBXAGGSA-N 1 1 308.338 0.303 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C/C=C\CNC(=O)c1ccc[nH]1 ZINC001732823512 1185985941 /nfs/dbraw/zinc/98/59/41/1185985941.db2.gz RMRQWSSLAXDURS-IHWYPQMZSA-N 1 1 318.337 0.732 20 5 DCBDMO CN(CC(C)(C)C[NH2+]Cc1ncnn1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001734017473 1186521972 /nfs/dbraw/zinc/52/19/72/1186521972.db2.gz NNUBRKUFYOQHDR-GHMZBOCLSA-N 1 1 324.385 0.055 20 5 DCBDMO CCN(CC[NH2+]Cc1ncccc1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001754045253 1188720650 /nfs/dbraw/zinc/72/06/50/1188720650.db2.gz JSJKOVKVSOENHS-TZMCWYRMSA-N 1 1 306.366 0.993 20 5 DCBDMO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1cc(N)c([N+](=O)[O-])cn1 ZINC001164921940 721868341 /nfs/dbraw/zinc/86/83/41/721868341.db2.gz FDNJRWZFMPDFFH-OLZOCXBDSA-N 1 1 320.397 0.787 20 5 DCBDMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1cc(N)c([N+](=O)[O-])cn1 ZINC001164921940 721868343 /nfs/dbraw/zinc/86/83/43/721868343.db2.gz FDNJRWZFMPDFFH-OLZOCXBDSA-N 1 1 320.397 0.787 20 5 DCBDMO Cc1nc(CC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001126907097 750101853 /nfs/dbraw/zinc/10/18/53/750101853.db2.gz GJWRWQZHDMQEDO-UHFFFAOYSA-N 1 1 318.337 0.470 20 5 DCBDMO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048525224 754791395 /nfs/dbraw/zinc/79/13/95/754791395.db2.gz PFBLMCVOKBIQGQ-XVIXHAIJSA-N 1 1 311.382 0.393 20 5 DCBDMO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCO)[C@@H]1CC1[N+](=O)[O-] ZINC001048525224 754791399 /nfs/dbraw/zinc/79/13/99/754791399.db2.gz PFBLMCVOKBIQGQ-XVIXHAIJSA-N 1 1 311.382 0.393 20 5 DCBDMO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO)[C@@H]1CC1[N+](=O)[O-] ZINC001048525224 754791402 /nfs/dbraw/zinc/79/14/02/754791402.db2.gz PFBLMCVOKBIQGQ-XVIXHAIJSA-N 1 1 311.382 0.393 20 5 DCBDMO COC[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2nnn(C)c21 ZINC001169019026 760559486 /nfs/dbraw/zinc/55/94/86/760559486.db2.gz GIGCFULHTXEMIR-GRYCIOLGSA-N 1 1 309.370 0.806 20 5 DCBDMO COC[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2nnn(C)c21 ZINC001169019026 760559488 /nfs/dbraw/zinc/55/94/88/760559488.db2.gz GIGCFULHTXEMIR-GRYCIOLGSA-N 1 1 309.370 0.806 20 5 DCBDMO CC[C@]([NH3+])(CO)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001170865834 766168618 /nfs/dbraw/zinc/16/86/18/766168618.db2.gz JJWGNGSSNUNIIX-LLVKDONJSA-N 1 1 303.340 0.468 20 5 DCBDMO COCC[N@@H+](C)CCCNC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC001136211184 766260324 /nfs/dbraw/zinc/26/03/24/766260324.db2.gz IJUSWSLWLSVJQU-UHFFFAOYSA-N 1 1 313.358 0.184 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001121291694 767499881 /nfs/dbraw/zinc/49/98/81/767499881.db2.gz OSDPAGOSXYFIBO-QJPTWQEYSA-N 1 1 307.354 0.556 20 5 DCBDMO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001121697592 767622310 /nfs/dbraw/zinc/62/23/10/767622310.db2.gz CUDRYGULWJUHSS-MNOVXSKESA-N 1 1 310.358 0.157 20 5 DCBDMO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001121697592 767622315 /nfs/dbraw/zinc/62/23/15/767622315.db2.gz CUDRYGULWJUHSS-MNOVXSKESA-N 1 1 310.358 0.157 20 5 DCBDMO Cc1ncc([N+](=O)[O-])c(N2CCN(c3[nH+]cccc3N)CC2)n1 ZINC001154782419 770295449 /nfs/dbraw/zinc/29/54/49/770295449.db2.gz OFZAMLRKBMTWOX-UHFFFAOYSA-N 1 1 315.337 0.997 20 5 DCBDMO Cc1nc(N2CCN(c3[nH+]cccc3N)CC2)ncc1[N+](=O)[O-] ZINC001154788044 770297241 /nfs/dbraw/zinc/29/72/41/770297241.db2.gz WANGINVTPRMMPY-UHFFFAOYSA-N 1 1 315.337 0.997 20 5 DCBDMO CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178458485 770758968 /nfs/dbraw/zinc/75/89/68/770758968.db2.gz JAJRJMOGDQFEAO-VXGBXAGGSA-N 1 1 314.386 0.054 20 5 DCBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001179462030 771009134 /nfs/dbraw/zinc/00/91/34/771009134.db2.gz SQCFKYFDAPFBMT-UHFFFAOYSA-N 1 1 309.297 0.855 20 5 DCBDMO CCOC(=O)[C@H](N)CNc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001161950564 772306373 /nfs/dbraw/zinc/30/63/73/772306373.db2.gz WCPDVRYQCXRHRU-MVIFTORASA-N 1 1 323.353 0.824 20 5 DCBDMO CNC(=O)N[C@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001193198969 773023481 /nfs/dbraw/zinc/02/34/81/773023481.db2.gz ZTSBWWIUBVXLJD-AAEUAGOBSA-N 1 1 308.338 0.632 20 5 DCBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC001197157389 773707354 /nfs/dbraw/zinc/70/73/54/773707354.db2.gz UODMBPMYVBOIPH-UTUOFQBUSA-N 1 1 323.349 0.454 20 5 DCBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC001197157389 773707355 /nfs/dbraw/zinc/70/73/55/773707355.db2.gz UODMBPMYVBOIPH-UTUOFQBUSA-N 1 1 323.349 0.454 20 5 DCBDMO Cc1c(CNC(=O)NCC[N@H+]2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC001226216229 775783451 /nfs/dbraw/zinc/78/34/51/775783451.db2.gz IWAFVHWWBDJTFZ-ZDUSSCGKSA-N 1 1 322.365 0.769 20 5 DCBDMO COc1cc(C[NH2+]CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])sn1 ZINC001317585299 945083850 /nfs/dbraw/zinc/08/38/50/945083850.db2.gz OUUJYGZSYWOBHW-NXEZZACHSA-N 1 1 314.367 0.365 20 5 DCBDMO CCN(CCNC(=O)c1cnn[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC001266400473 939106753 /nfs/dbraw/zinc/10/67/53/939106753.db2.gz NYHDVUBJJSTFHD-UHFFFAOYSA-N 1 1 318.337 0.965 20 5 DCBDMO COc1ccnc(C[NH2+]CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001481229519 939654351 /nfs/dbraw/zinc/65/43/51/939654351.db2.gz QXZPPMPVOMPGPK-CHWSQXEVSA-N 1 1 308.338 0.303 20 5 DCBDMO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1cnn[nH]1 ZINC001277102846 944662219 /nfs/dbraw/zinc/66/22/19/944662219.db2.gz YMGILGXSPHKHBQ-UHFFFAOYSA-N 1 1 316.321 0.765 20 5 DCBDMO O=C(NCC[NH+]1CC=CC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001319905146 945690898 /nfs/dbraw/zinc/69/08/98/945690898.db2.gz KWIVGWGERWAHMG-UHFFFAOYSA-N 1 1 305.290 0.925 20 5 DCBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001261527641 947332947 /nfs/dbraw/zinc/33/29/47/947332947.db2.gz XRULWUBGRUAJDQ-GFCCVEGCSA-N 1 1 320.349 0.528 20 5 DCBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001261527641 947332958 /nfs/dbraw/zinc/33/29/58/947332958.db2.gz XRULWUBGRUAJDQ-GFCCVEGCSA-N 1 1 320.349 0.528 20 5 DCBDMO C[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H]1O ZINC001576214234 950658244 /nfs/dbraw/zinc/65/82/44/950658244.db2.gz NOWQFGSMGQEUNL-TVQRCGJNSA-N 1 1 318.337 0.978 20 5 DCBDMO O=C([C@@H](Cc1ccccc1)[NH2+]CC[N+](=O)[O-])N1CCOCC1 ZINC001335999783 952630002 /nfs/dbraw/zinc/63/00/02/952630002.db2.gz GWKWSVUCYMDQOD-CQSZACIVSA-N 1 1 307.350 0.323 20 5 DCBDMO Cc1c(CNC(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)cccc1[N+](=O)[O-] ZINC001346843160 953967923 /nfs/dbraw/zinc/96/79/23/953967923.db2.gz MJZXKRCXLAIYFI-ABAIWWIYSA-N 1 1 318.377 0.908 20 5 DCBDMO C[NH+]1CC(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001348293881 954256384 /nfs/dbraw/zinc/25/63/84/954256384.db2.gz FYADXTLPUOOSQB-UHFFFAOYSA-N 1 1 304.350 0.667 20 5 DCBDMO CN1CC[C@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001353273052 956000528 /nfs/dbraw/zinc/00/05/28/956000528.db2.gz MPLIOIQKZYNXFO-OCCSQVGLSA-N 1 1 309.366 0.876 20 5 DCBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC001302246951 960017911 /nfs/dbraw/zinc/01/79/11/960017911.db2.gz HIMITIBJSNQUJD-VIFPVBQESA-N 1 1 323.353 0.147 20 5 DCBDMO C[C@@H]1[C@@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC001303798407 960063560 /nfs/dbraw/zinc/06/35/60/960063560.db2.gz AUFDGDCFCQMSSQ-MFKMUULPSA-N 1 1 320.349 0.533 20 5 DCBDMO Cc1ncccc1C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001316823436 960356108 /nfs/dbraw/zinc/35/61/08/960356108.db2.gz KCYFMFQMJSWCDE-ZIAGYGMSSA-N 1 1 306.366 0.993 20 5 DCBDMO Cc1ncccc1C[N@H+](C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001316823436 960356119 /nfs/dbraw/zinc/35/61/19/960356119.db2.gz KCYFMFQMJSWCDE-ZIAGYGMSSA-N 1 1 306.366 0.993 20 5 DCBDMO Cc1ncccc1C[N@@H+](C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001316823436 960356123 /nfs/dbraw/zinc/35/61/23/960356123.db2.gz KCYFMFQMJSWCDE-ZIAGYGMSSA-N 1 1 306.366 0.993 20 5 DCBDMO CN1C(=O)[C@H]2C[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@H]2C1=O ZINC001473725388 1016959092 /nfs/dbraw/zinc/95/90/92/1016959092.db2.gz OAEFSKUFUYXYSZ-XQQFMLRXSA-N 1 1 319.317 0.175 20 5 DCBDMO CS(=O)(=O)NC[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001473776641 1016969807 /nfs/dbraw/zinc/96/98/07/1016969807.db2.gz OLYYVQBPCQINMG-GFCCVEGCSA-N 1 1 313.379 0.966 20 5 DCBDMO CS(=O)(=O)NC[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001473776641 1016969812 /nfs/dbraw/zinc/96/98/12/1016969812.db2.gz OLYYVQBPCQINMG-GFCCVEGCSA-N 1 1 313.379 0.966 20 5 DCBDMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001453734474 1008692526 /nfs/dbraw/zinc/69/25/26/1008692526.db2.gz LZSCNVAOEAAQKT-LBPRGKRZSA-N 1 1 308.338 0.594 20 5 DCBDMO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1c[nH]nc1[N+](=O)[O-] ZINC001455783725 1009968832 /nfs/dbraw/zinc/96/88/32/1009968832.db2.gz AWOLOAPGBYYBNB-ZJUUUORDSA-N 1 1 311.367 0.628 20 5 DCBDMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)c1c[nH]nc1[N+](=O)[O-] ZINC001455783725 1009968836 /nfs/dbraw/zinc/96/88/36/1009968836.db2.gz AWOLOAPGBYYBNB-ZJUUUORDSA-N 1 1 311.367 0.628 20 5 DCBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H](CO)[C@H]2CO)c1 ZINC001560037609 1012440343 /nfs/dbraw/zinc/44/03/43/1012440343.db2.gz PMFSRQYAWDTITR-CFVMTHIKSA-N 1 1 310.350 0.693 20 5 DCBDMO CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cnc(C)nc1 ZINC001479844146 1017869074 /nfs/dbraw/zinc/86/90/74/1017869074.db2.gz ZVUDCIDFMSXFGA-ZIAGYGMSSA-N 1 1 321.381 0.778 20 5 DCBDMO CC[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cnc(C)nc1 ZINC001479844146 1017869083 /nfs/dbraw/zinc/86/90/83/1017869083.db2.gz ZVUDCIDFMSXFGA-ZIAGYGMSSA-N 1 1 321.381 0.778 20 5 DCBDMO CC[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cnc(C)nc1 ZINC001479844146 1017869089 /nfs/dbraw/zinc/86/90/89/1017869089.db2.gz ZVUDCIDFMSXFGA-ZIAGYGMSSA-N 1 1 321.381 0.778 20 5 DCBDMO Cc1noc(C)c1C[NH2+]CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001498545196 1019214599 /nfs/dbraw/zinc/21/45/99/1019214599.db2.gz GALHPEUIABSKKJ-DGCLKSJQSA-N 1 1 310.354 0.895 20 5 DCBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000318369854 231169375 /nfs/dbraw/zinc/16/93/75/231169375.db2.gz IGEKANKABGISLF-NWDGAFQWSA-N 1 1 305.338 0.929 20 5 DCBDMO CNC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181572074 199319618 /nfs/dbraw/zinc/31/96/18/199319618.db2.gz GDJDVIVXKMTYAV-AAEUAGOBSA-N 1 1 323.349 0.545 20 5 DCBDMO CNC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181572074 199319619 /nfs/dbraw/zinc/31/96/19/199319619.db2.gz GDJDVIVXKMTYAV-AAEUAGOBSA-N 1 1 323.349 0.545 20 5 DCBDMO CNC(=O)CC[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181717760 199343604 /nfs/dbraw/zinc/34/36/04/199343604.db2.gz OVQYIIIDQLOPIP-LLVKDONJSA-N 1 1 311.338 0.402 20 5 DCBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000331028659 232375538 /nfs/dbraw/zinc/37/55/38/232375538.db2.gz RAOHPWPQKMYRBB-SNVBAGLBSA-N 1 1 310.354 0.840 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000272680102 210086041 /nfs/dbraw/zinc/08/60/41/210086041.db2.gz KSWJOTMSTNYEED-JTQLQIEISA-N 1 1 307.354 0.866 20 5 DCBDMO Cc1[nH+]ccn1CCCCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000173022558 198177926 /nfs/dbraw/zinc/17/79/26/198177926.db2.gz LFGKZBPNMHDXKG-UHFFFAOYSA-N 1 1 306.326 0.893 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000173525435 237157616 /nfs/dbraw/zinc/15/76/16/237157616.db2.gz CXUSNFZFFMWROX-SMDDNHRTSA-N 1 1 310.354 0.653 20 5 DCBDMO COCC[NH+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000281105862 216082692 /nfs/dbraw/zinc/08/26/92/216082692.db2.gz GLGAFWBUDGSUFK-UHFFFAOYSA-N 1 1 307.350 0.928 20 5 DCBDMO NC(=O)c1cc([N+](=O)[O-])cnc1NCC[NH+]1CCSCC1 ZINC000264763079 204138349 /nfs/dbraw/zinc/13/83/49/204138349.db2.gz DLGPCTLLOVQCGQ-UHFFFAOYSA-N 1 1 311.367 0.549 20 5 DCBDMO CN(C)C(=O)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000573557080 291639457 /nfs/dbraw/zinc/63/94/57/291639457.db2.gz PVBHQCFGEXDBJN-UHFFFAOYSA-N 1 1 315.351 0.046 20 5 DCBDMO COc1ccc(OCC[N@H+]2C[C@H](O)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC000274073477 211329775 /nfs/dbraw/zinc/32/97/75/211329775.db2.gz CPOZRRJYTUTABS-WDEREUQCSA-N 1 1 312.322 0.410 20 5 DCBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000110018511 194304015 /nfs/dbraw/zinc/30/40/15/194304015.db2.gz KZRQOPQKCZRDEY-UHFFFAOYSA-N 1 1 310.354 0.897 20 5 DCBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH+](CCO)CC1 ZINC000340308800 253235221 /nfs/dbraw/zinc/23/52/21/253235221.db2.gz NNIPHYATULQCAZ-UHFFFAOYSA-N 1 1 322.365 0.452 20 5 DCBDMO C[N@H+]1CCCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000351584459 254349780 /nfs/dbraw/zinc/34/97/80/254349780.db2.gz XIHPZDWRUOYDNW-UHFFFAOYSA-N 1 1 324.312 0.837 20 5 DCBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])[C@H](C)C1 ZINC000284793551 131111686 /nfs/dbraw/zinc/11/16/86/131111686.db2.gz MLFWOPIYCHCVPH-MNOVXSKESA-N 1 1 323.353 0.909 20 5 DCBDMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])[C@H](C)C1 ZINC000284793551 131111687 /nfs/dbraw/zinc/11/16/87/131111687.db2.gz MLFWOPIYCHCVPH-MNOVXSKESA-N 1 1 323.353 0.909 20 5 DCBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000557099554 288408690 /nfs/dbraw/zinc/40/86/90/288408690.db2.gz QGSGJWFMXNMODZ-UHFFFAOYSA-N 1 1 320.349 0.489 20 5 DCBDMO NC(=O)[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000011173259 395686457 /nfs/dbraw/zinc/68/64/57/395686457.db2.gz DNTQZRYNGZBCPD-QMMMGPOBSA-N 1 1 318.255 0.877 20 5 DCBDMO CS[C@@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000270795308 395809831 /nfs/dbraw/zinc/80/98/31/395809831.db2.gz VSXOTQLWWSXOHO-DTWKUNHWSA-N 1 1 313.383 0.744 20 5 DCBDMO CSC[C@@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000135449459 395940508 /nfs/dbraw/zinc/94/05/08/395940508.db2.gz UVKAIVBZYDZEOK-JQWIXIFHSA-N 1 1 300.384 0.980 20 5 DCBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000150917036 395975944 /nfs/dbraw/zinc/97/59/44/395975944.db2.gz LWNPPYALZJISAR-LLVKDONJSA-N 1 1 312.374 0.821 20 5 DCBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@@H](C)C1 ZINC000253204374 396025723 /nfs/dbraw/zinc/02/57/23/396025723.db2.gz NFKHQAAHEDSYCD-QWRGUYRKSA-N 1 1 322.365 0.704 20 5 DCBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@@H](C)C1 ZINC000253204374 396025726 /nfs/dbraw/zinc/02/57/26/396025726.db2.gz NFKHQAAHEDSYCD-QWRGUYRKSA-N 1 1 322.365 0.704 20 5 DCBDMO C[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)[NH+]1CCSCC1 ZINC000154013899 396028724 /nfs/dbraw/zinc/02/87/24/396028724.db2.gz OQMGOCFHNNHVND-SNVBAGLBSA-N 1 1 313.383 0.345 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000068203736 396049386 /nfs/dbraw/zinc/04/93/86/396049386.db2.gz GDSNJABRTLEDTR-VXGBXAGGSA-N 1 1 307.354 0.843 20 5 DCBDMO O=C(CC[N@@H+]1C[C@H](O)C[C@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000249287754 396005359 /nfs/dbraw/zinc/00/53/59/396005359.db2.gz JNFNXTGLMTUIKB-WDEREUQCSA-N 1 1 309.322 0.351 20 5 DCBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000277988679 396099204 /nfs/dbraw/zinc/09/92/04/396099204.db2.gz GQEUXPVHFNQHSL-JOYOIKCWSA-N 1 1 306.322 0.862 20 5 DCBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000277988674 396099374 /nfs/dbraw/zinc/09/93/74/396099374.db2.gz GQEUXPVHFNQHSL-CABZTGNLSA-N 1 1 306.322 0.862 20 5 DCBDMO C[C@H]([C@H](C)[N@H+](C)CCn1ccc([N+](=O)[O-])n1)S(C)(=O)=O ZINC000176243821 396152943 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RLXBORVITSDIMB-SNVBAGLBSA-N 1 1 323.353 0.240 20 5 DCBDMO CNC(=O)CC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000263907082 396240987 /nfs/dbraw/zinc/24/09/87/396240987.db2.gz HZQLCHVHBNLEHN-UHFFFAOYSA-N 1 1 324.337 0.610 20 5 DCBDMO CNC(=O)CC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000263907082 396240990 /nfs/dbraw/zinc/24/09/90/396240990.db2.gz HZQLCHVHBNLEHN-UHFFFAOYSA-N 1 1 324.337 0.610 20 5 DCBDMO O=[N+]([O-])c1ccc2oc(CN3CC[NH+](CCO)CC3)nc2c1 ZINC000083127421 396313038 /nfs/dbraw/zinc/31/30/38/396313038.db2.gz LBSKUVKSZDDYAJ-UHFFFAOYSA-N 1 1 306.322 0.846 20 5 DCBDMO O=C(CC[N@@H+]1C[C@@H](O)C[C@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000186500229 396351283 /nfs/dbraw/zinc/35/12/83/396351283.db2.gz JNFNXTGLMTUIKB-QWRGUYRKSA-N 1 1 309.322 0.351 20 5 DCBDMO COCC[N@H+]1CC[C@@H](Nc2nc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000286427408 396394806 /nfs/dbraw/zinc/39/48/06/396394806.db2.gz BMUZQMFTJGUIMZ-SNVBAGLBSA-N 1 1 324.337 0.909 20 5 DCBDMO CN(C)CC[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000293552418 396616614 /nfs/dbraw/zinc/61/66/14/396616614.db2.gz WSQRPGAJTRIAGE-UHFFFAOYSA-N 1 1 323.397 0.790 20 5 DCBDMO CN(CCCNC(=O)c1cc([N+](=O)[O-])ccc1N)CC[NH+](C)C ZINC000293552418 396616618 /nfs/dbraw/zinc/61/66/18/396616618.db2.gz WSQRPGAJTRIAGE-UHFFFAOYSA-N 1 1 323.397 0.790 20 5 DCBDMO CCC[N@H+]1CC[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000595568588 396632374 /nfs/dbraw/zinc/63/23/74/396632374.db2.gz XAKPDEPSEMKLRW-NSHDSACASA-N 1 1 310.358 0.575 20 5 DCBDMO O=c1[nH]ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000596053639 396712265 /nfs/dbraw/zinc/71/22/65/396712265.db2.gz OVVYYEYYKZZPEB-LLVKDONJSA-N 1 1 308.338 0.996 20 5 DCBDMO NC(=O)c1ccc(C[N@@H+]2CC[C@H](n3cncn3)C2)c([N+](=O)[O-])c1 ZINC000375329353 396728258 /nfs/dbraw/zinc/72/82/58/396728258.db2.gz SETZQKNWCIEUSD-LBPRGKRZSA-N 1 1 316.321 0.732 20 5 DCBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H](n3cncn3)C2)c([N+](=O)[O-])c1 ZINC000375329353 396728261 /nfs/dbraw/zinc/72/82/61/396728261.db2.gz SETZQKNWCIEUSD-LBPRGKRZSA-N 1 1 316.321 0.732 20 5 DCBDMO CCN1CC[NH+]([C@@H]2CCN(c3ccc(N)c([N+](=O)[O-])n3)C2)CC1 ZINC000596119943 396719690 /nfs/dbraw/zinc/71/96/90/396719690.db2.gz BRARUNQXGMTPNZ-GFCCVEGCSA-N 1 1 320.397 0.788 20 5 DCBDMO CC(C)CO[C@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000305044629 396734415 /nfs/dbraw/zinc/73/44/15/396734415.db2.gz KVSBWWRZHJFHEV-KGLIPLIRSA-N 1 1 312.370 0.899 20 5 DCBDMO NC(=O)c1cc(NC[C@H]2CCC[N@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000596257483 396745524 /nfs/dbraw/zinc/74/55/24/396745524.db2.gz LAIOLNSAYCRSAU-GFCCVEGCSA-N 1 1 322.365 0.952 20 5 DCBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000610705371 396752934 /nfs/dbraw/zinc/75/29/34/396752934.db2.gz ITNYNFZCRANPKO-UHFFFAOYSA-N 1 1 310.310 0.034 20 5 DCBDMO C[NH+]1CCC(N2CC[C@H](NC(=O)c3n[nH]cc3[N+](=O)[O-])C2)CC1 ZINC000611205894 396834273 /nfs/dbraw/zinc/83/42/73/396834273.db2.gz GFQHQRJCVVVJDD-JTQLQIEISA-N 1 1 322.369 0.216 20 5 DCBDMO CN1CCC([N@@H+]2CC[C@H](NC(=O)c3[nH]ncc3[N+](=O)[O-])C2)CC1 ZINC000611205894 396834276 /nfs/dbraw/zinc/83/42/76/396834276.db2.gz GFQHQRJCVVVJDD-JTQLQIEISA-N 1 1 322.369 0.216 20 5 DCBDMO CN1CCC([N@H+]2CC[C@H](NC(=O)c3[nH]ncc3[N+](=O)[O-])C2)CC1 ZINC000611205894 396834282 /nfs/dbraw/zinc/83/42/82/396834282.db2.gz GFQHQRJCVVVJDD-JTQLQIEISA-N 1 1 322.369 0.216 20 5 DCBDMO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)CN(C)C ZINC000564793678 396869042 /nfs/dbraw/zinc/86/90/42/396869042.db2.gz RORRBBJOVPKCIJ-YPMHNXCESA-N 1 1 313.402 0.718 20 5 DCBDMO O=C1NCCN1[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000377958903 397170811 /nfs/dbraw/zinc/17/08/11/397170811.db2.gz KDCDYWRRLIHYSH-LLVKDONJSA-N 1 1 308.342 0.281 20 5 DCBDMO CC(C)N1CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000387326595 397294322 /nfs/dbraw/zinc/29/43/22/397294322.db2.gz CJGUUNMDLHNGDZ-AWEZNQCLSA-N 1 1 311.386 0.615 20 5 DCBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594204684 397513457 /nfs/dbraw/zinc/51/34/57/397513457.db2.gz WRAPIXARHQSROI-CHWSQXEVSA-N 1 1 307.354 0.924 20 5 DCBDMO Cc1nnc(N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)n1C ZINC000602945488 397531821 /nfs/dbraw/zinc/53/18/21/397531821.db2.gz WPRLJKDQFWCWIO-UHFFFAOYSA-N 1 1 320.357 0.050 20 5 DCBDMO Cn1c(C(=O)NCCCN2CCC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000609623935 397787919 /nfs/dbraw/zinc/78/79/19/397787919.db2.gz HLPGMUCHRUOTJT-UHFFFAOYSA-N 1 1 323.397 0.691 20 5 DCBDMO Cn1c(C(=O)NCCC[N@@H+]2CCCN(C)CC2)ccc1[N+](=O)[O-] ZINC000609623935 397787922 /nfs/dbraw/zinc/78/79/22/397787922.db2.gz HLPGMUCHRUOTJT-UHFFFAOYSA-N 1 1 323.397 0.691 20 5 DCBDMO Cn1c(C(=O)NCCC[N@H+]2CCCN(C)CC2)ccc1[N+](=O)[O-] ZINC000609623935 397787925 /nfs/dbraw/zinc/78/79/25/397787925.db2.gz HLPGMUCHRUOTJT-UHFFFAOYSA-N 1 1 323.397 0.691 20 5 DCBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000320777065 159010593 /nfs/dbraw/zinc/01/05/93/159010593.db2.gz LUKUSPFPLLUDBY-RYUDHWBXSA-N 1 1 320.349 0.770 20 5 DCBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)C1 ZINC000367195598 159321310 /nfs/dbraw/zinc/32/13/10/159321310.db2.gz JQVOMHZIDWGCMP-NSHDSACASA-N 1 1 322.369 0.170 20 5 DCBDMO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000368188498 159380027 /nfs/dbraw/zinc/38/00/27/159380027.db2.gz YFVQKBNFDJVYRN-YUMQZZPRSA-N 1 1 307.285 0.901 20 5 DCBDMO CNC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000268450179 415215398 /nfs/dbraw/zinc/21/53/98/415215398.db2.gz FTHZJHCZHAVYMT-UHFFFAOYSA-N 1 1 307.354 0.921 20 5 DCBDMO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[NH+](CCO)CC1 ZINC000342913503 415353850 /nfs/dbraw/zinc/35/38/50/415353850.db2.gz JLEFGHSXGQSVID-UHFFFAOYSA-N 1 1 318.333 0.826 20 5 DCBDMO NC(=O)[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CC[NH2+]1 ZINC000276686221 415477264 /nfs/dbraw/zinc/47/72/64/415477264.db2.gz VRQMOVHKHIHEJJ-NSHDSACASA-N 1 1 301.306 0.407 20 5 DCBDMO C[N@H+](CCNS(C)(=O)=O)CCc1cccc([N+](=O)[O-])c1 ZINC000282519726 415577804 /nfs/dbraw/zinc/57/78/04/415577804.db2.gz TUXSFICHPQSQBQ-UHFFFAOYSA-N 1 1 301.368 0.618 20 5 DCBDMO C[N@@H+](CCNS(C)(=O)=O)CCc1cccc([N+](=O)[O-])c1 ZINC000282519726 415577815 /nfs/dbraw/zinc/57/78/15/415577815.db2.gz TUXSFICHPQSQBQ-UHFFFAOYSA-N 1 1 301.368 0.618 20 5 DCBDMO CCC[C@]1(CO)CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000344127285 415846624 /nfs/dbraw/zinc/84/66/24/415846624.db2.gz JMKGCHUECBDCEW-KGLIPLIRSA-N 1 1 312.370 0.637 20 5 DCBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356455965 415923709 /nfs/dbraw/zinc/92/37/09/415923709.db2.gz HJMMEUKMNKJYEE-JTQLQIEISA-N 1 1 311.342 0.169 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[NH+]1CCC1 ZINC000337518739 415971571 /nfs/dbraw/zinc/97/15/71/415971571.db2.gz LJMVEAFJHOAGCT-UHFFFAOYSA-N 1 1 306.322 0.664 20 5 DCBDMO CN(C)c1[nH+]cc(CNC(=O)c2cc([N+](=O)[O-])nn2C)n1C ZINC000357051338 416027110 /nfs/dbraw/zinc/02/71/10/416027110.db2.gz POYDXPWLILQLQQ-UHFFFAOYSA-N 1 1 307.314 0.058 20 5 DCBDMO CNC(=O)CC[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000170793067 416032397 /nfs/dbraw/zinc/03/23/97/416032397.db2.gz RFDKJOGRIOGMJM-UHFFFAOYSA-N 1 1 308.338 0.991 20 5 DCBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357499969 416089220 /nfs/dbraw/zinc/08/92/20/416089220.db2.gz GDGFBCVUWQLWRX-NSHDSACASA-N 1 1 307.354 0.865 20 5 DCBDMO CC[N@H+]1C[C@H](C)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000345967331 416176139 /nfs/dbraw/zinc/17/61/39/416176139.db2.gz SAVVFXMKRWJVOR-NEPJUHHUSA-N 1 1 322.365 0.698 20 5 DCBDMO C[N@H+]1CC[C@@](O)(CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000358073483 416187729 /nfs/dbraw/zinc/18/77/29/416187729.db2.gz CINBCWSNBLWHSH-OAHLLOKOSA-N 1 1 322.365 0.580 20 5 DCBDMO Cc1ccc(NCCCNC(=O)c2c([N+](=O)[O-])cnn2C)[nH+]c1 ZINC000347525101 416218524 /nfs/dbraw/zinc/21/85/24/416218524.db2.gz WFMOFZCHDHHTAF-UHFFFAOYSA-N 1 1 318.337 1.264 20 5 DCBDMO [NH3+]CC(F)(F)CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415606206 416348855 /nfs/dbraw/zinc/34/88/55/416348855.db2.gz JBVDHJPJLVXNGM-UHFFFAOYSA-N 1 1 302.237 0.244 20 5 DCBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H](O)C[NH+](C)C ZINC000361215243 416425965 /nfs/dbraw/zinc/42/59/65/416425965.db2.gz IEKWMJBNDPAGDB-FZMZJTMJSA-N 1 1 324.381 0.824 20 5 DCBDMO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000436059000 416547475 /nfs/dbraw/zinc/54/74/75/416547475.db2.gz JQJFHWOSFWNIBE-LBPRGKRZSA-N 1 1 324.385 0.111 20 5 DCBDMO CNc1nccc(C(=O)NCC[N@H+]2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000584850950 416516151 /nfs/dbraw/zinc/51/61/51/416516151.db2.gz RESNLRNTIMVRHQ-JTQLQIEISA-N 1 1 307.354 1.103 20 5 DCBDMO CC[N@@H+](C)CCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000538088926 416563457 /nfs/dbraw/zinc/56/34/57/416563457.db2.gz OUFHBCNZRWKZMF-UHFFFAOYSA-N 1 1 302.356 0.606 20 5 DCBDMO NC(=O)c1cccc(N2CCC[N@@H+](CCO)CC2)c1[N+](=O)[O-] ZINC000439154486 416608253 /nfs/dbraw/zinc/60/82/53/416608253.db2.gz OCXCBTFPHCASLH-UHFFFAOYSA-N 1 1 308.338 0.198 20 5 DCBDMO C[C@@H]1C[N@@H+](CCCNc2ccc(N)c([N+](=O)[O-])n2)CCCO1 ZINC000596208332 416580082 /nfs/dbraw/zinc/58/00/82/416580082.db2.gz KAFBSUXOOZIELT-LLVKDONJSA-N 1 1 309.370 1.485 20 5 DCBDMO O=C(CC[N@@H+]1CC[C@H](CO)[C@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000559284123 416806615 /nfs/dbraw/zinc/80/66/15/416806615.db2.gz YJYDUCHAJXTFIQ-BXUZGUMPSA-N 1 1 323.349 0.599 20 5 DCBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2ccnc(NC)c2[N+](=O)[O-])C1 ZINC000563374690 416880169 /nfs/dbraw/zinc/88/01/69/416880169.db2.gz QZQYAEMRBAFNGG-NSHDSACASA-N 1 1 321.381 1.493 20 5 DCBDMO C[NH+]1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000520272868 416953223 /nfs/dbraw/zinc/95/32/23/416953223.db2.gz NCKUUPOXLBOTQU-UHFFFAOYSA-N 1 1 308.338 0.931 20 5 DCBDMO CNc1nccc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000569939008 417305461 /nfs/dbraw/zinc/30/54/61/417305461.db2.gz GSZPUJBSOFUILO-LLVKDONJSA-N 1 1 321.381 1.445 20 5 DCBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@H](C)[N@H+]1CCO ZINC000571019675 417413957 /nfs/dbraw/zinc/41/39/57/417413957.db2.gz XTBKQDAFHPPXRS-PHIMTYICSA-N 1 1 310.354 0.460 20 5 DCBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)C[C@H](C)[N@@H+]1CCO ZINC000571019675 417413962 /nfs/dbraw/zinc/41/39/62/417413962.db2.gz XTBKQDAFHPPXRS-PHIMTYICSA-N 1 1 310.354 0.460 20 5 DCBDMO CC(C)[N@H+]1CC[C@@H](N(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000452111963 417455792 /nfs/dbraw/zinc/45/57/92/417455792.db2.gz DKNGGVZXLDPMRN-OCCSQVGLSA-N 1 1 311.386 0.567 20 5 DCBDMO CC(C)N1CC[C@@H]([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000452111963 417455797 /nfs/dbraw/zinc/45/57/97/417455797.db2.gz DKNGGVZXLDPMRN-OCCSQVGLSA-N 1 1 311.386 0.567 20 5 DCBDMO CC(C)N1CC[C@@H]([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000452111963 417455803 /nfs/dbraw/zinc/45/58/03/417455803.db2.gz DKNGGVZXLDPMRN-OCCSQVGLSA-N 1 1 311.386 0.567 20 5 DCBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000355066831 261302715 /nfs/dbraw/zinc/30/27/15/261302715.db2.gz XBUZYQPOTVAMDE-LBPRGKRZSA-N 1 1 324.333 0.961 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000492557121 272135097 /nfs/dbraw/zinc/13/50/97/272135097.db2.gz BLGQTJSSNOHROD-UJAVWCLSSA-N 1 1 323.324 0.930 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2nnc(C3CC3)s2)c1 ZINC000563007938 288615749 /nfs/dbraw/zinc/61/57/49/288615749.db2.gz POEGEYODLFQPKV-SNVBAGLBSA-N 1 1 324.366 0.671 20 5 DCBDMO CC(C)(C)C[N@@H+](CCCO)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173707227 527682735 /nfs/dbraw/zinc/68/27/35/527682735.db2.gz OJMRYWBPYFFIMT-CYBMUJFWSA-N 1 1 314.386 0.883 20 5 DCBDMO CN(C)S(=O)(=O)CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000285190029 536079904 /nfs/dbraw/zinc/07/99/04/536079904.db2.gz DUEVZGHFNWMDLS-UHFFFAOYSA-N 1 1 315.395 0.961 20 5 DCBDMO CN(C)S(=O)(=O)CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000285190029 536079909 /nfs/dbraw/zinc/07/99/09/536079909.db2.gz DUEVZGHFNWMDLS-UHFFFAOYSA-N 1 1 315.395 0.961 20 5 DCBDMO CC(C)(C)CC[NH2+]CCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001672617157 1175134272 /nfs/dbraw/zinc/13/42/72/1175134272.db2.gz QFDHUCFDBUCWIO-VXGBXAGGSA-N 1 1 301.387 0.498 20 5 DCBDMO CN1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+](C)CC1 ZINC000888990919 657605257 /nfs/dbraw/zinc/60/52/57/657605257.db2.gz JEPVZOOJTUMLHP-UHFFFAOYSA-N 1 1 320.393 0.843 20 5 DCBDMO Cc1ncccc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001022063920 658817483 /nfs/dbraw/zinc/81/74/83/658817483.db2.gz PACSDOPVIYHCPF-XJFOESAGSA-N 1 1 304.350 0.792 20 5 DCBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cncc(F)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022064165 658822191 /nfs/dbraw/zinc/82/21/91/658822191.db2.gz YYDPHJRKMRICOJ-YVECIDJPSA-N 1 1 308.313 0.623 20 5 DCBDMO Cc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)ncn1 ZINC000983652407 661997819 /nfs/dbraw/zinc/99/78/19/661997819.db2.gz CCXNBKQGUXJEKB-HBJVGIJOSA-N 1 1 319.365 0.435 20 5 DCBDMO CCc1nocc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000983652392 661997886 /nfs/dbraw/zinc/99/78/86/661997886.db2.gz CATKFRVXIHVXTL-XIDUGBJDSA-N 1 1 322.365 0.887 20 5 DCBDMO COc1c(O)ccc(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-] ZINC000895210689 662148316 /nfs/dbraw/zinc/14/83/16/662148316.db2.gz QSDNDEAJTABERL-NWDGAFQWSA-N 1 1 323.349 0.560 20 5 DCBDMO C[NH+]1CCC2(CCN2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000899909652 663199074 /nfs/dbraw/zinc/19/90/74/663199074.db2.gz GMYQWLBTQOVBOF-ZDUSSCGKSA-N 1 1 309.370 0.322 20 5 DCBDMO C[NH+]1CCC2(CCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000899909651 663199188 /nfs/dbraw/zinc/19/91/88/663199188.db2.gz GMYQWLBTQOVBOF-CYBMUJFWSA-N 1 1 309.370 0.322 20 5 DCBDMO COc1cc(OC)cc(N2CC[C@@H]([NH2+]CC[N+](=O)[O-])C2=O)c1 ZINC000905149132 663536111 /nfs/dbraw/zinc/53/61/11/663536111.db2.gz RBNYVILDJXDKBR-CYBMUJFWSA-N 1 1 309.322 0.675 20 5 DCBDMO CN1CC[N@@H+](C)CC(C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000906341505 663612538 /nfs/dbraw/zinc/61/25/38/663612538.db2.gz LRSIAAZKUCILLB-UHFFFAOYSA-N 1 1 306.366 0.704 20 5 DCBDMO CN(CC[N@@H+](C)CCO)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000912606031 664193064 /nfs/dbraw/zinc/19/30/64/664193064.db2.gz HZXDSWRLYJRYEF-UHFFFAOYSA-N 1 1 324.381 0.414 20 5 DCBDMO C[N@@H+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[C@@H](CO)C1 ZINC000912751033 664223698 /nfs/dbraw/zinc/22/36/98/664223698.db2.gz UNUZQQIQBDIEIY-HJHHMULASA-N 1 1 305.334 0.743 20 5 DCBDMO C[N@H+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[C@@H](CO)C1 ZINC000912751033 664223701 /nfs/dbraw/zinc/22/37/01/664223701.db2.gz UNUZQQIQBDIEIY-HJHHMULASA-N 1 1 305.334 0.743 20 5 DCBDMO C[N@@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000913549569 664350875 /nfs/dbraw/zinc/35/08/75/664350875.db2.gz CAOIBVMOBFRKMX-AWEZNQCLSA-N 1 1 307.350 0.662 20 5 DCBDMO C[N@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000913549569 664350876 /nfs/dbraw/zinc/35/08/76/664350876.db2.gz CAOIBVMOBFRKMX-AWEZNQCLSA-N 1 1 307.350 0.662 20 5 DCBDMO Cc1nn(CCC(=O)N2CC[N@H+](C)[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000742197263 667784043 /nfs/dbraw/zinc/78/40/43/667784043.db2.gz UODLMOSNBVIMHF-SNVBAGLBSA-N 1 1 309.370 0.961 20 5 DCBDMO Cc1nn(CCC(=O)N2CC[N@@H+](C)[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000742197263 667784044 /nfs/dbraw/zinc/78/40/44/667784044.db2.gz UODLMOSNBVIMHF-SNVBAGLBSA-N 1 1 309.370 0.961 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000930942115 669109123 /nfs/dbraw/zinc/10/91/23/669109123.db2.gz DFBZYGOAQXVNGQ-GFCCVEGCSA-N 1 1 309.370 0.946 20 5 DCBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cn1nccc1[N+](=O)[O-] ZINC000782913578 669131449 /nfs/dbraw/zinc/13/14/49/669131449.db2.gz MPCUVLZIUILMJU-GFCCVEGCSA-N 1 1 309.370 0.934 20 5 DCBDMO O=[N+]([O-])c1ccn(CCN2CCC([N@H+]3CCCOCC3)CC2)n1 ZINC000931288553 669174610 /nfs/dbraw/zinc/17/46/10/669174610.db2.gz NPJQUWOPIOSTHP-UHFFFAOYSA-N 1 1 323.397 0.978 20 5 DCBDMO COC(=O)C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000932104450 669318907 /nfs/dbraw/zinc/31/89/07/669318907.db2.gz HBQZZNGCNUFVNU-VXGBXAGGSA-N 1 1 323.349 0.888 20 5 DCBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCOC[C@@H]2C[C@@H]2CCOC2)n1 ZINC000933672160 669517896 /nfs/dbraw/zinc/51/78/96/669517896.db2.gz SMSTYQCMRFBZOY-STQMWFEESA-N 1 1 310.354 0.919 20 5 DCBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCOC[C@@H]2C[C@@H]2CCOC2)n1 ZINC000933672160 669517899 /nfs/dbraw/zinc/51/78/99/669517899.db2.gz SMSTYQCMRFBZOY-STQMWFEESA-N 1 1 310.354 0.919 20 5 DCBDMO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC(C)(C)OC1=O ZINC000795661815 669906623 /nfs/dbraw/zinc/90/66/23/669906623.db2.gz PLVYEPKKZTZWCV-GHMZBOCLSA-N 1 1 312.326 0.178 20 5 DCBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC(C)(C)OC1=O ZINC000795661815 669906625 /nfs/dbraw/zinc/90/66/25/669906625.db2.gz PLVYEPKKZTZWCV-GHMZBOCLSA-N 1 1 312.326 0.178 20 5 DCBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2nnnn2C2CC2)c1 ZINC000819119125 671096698 /nfs/dbraw/zinc/09/66/98/671096698.db2.gz QNYANCAMPLHCBM-LBPRGKRZSA-N 1 1 304.310 0.739 20 5 DCBDMO Cc1nn(C[N@H+](C)C[C@@H]2COCCO2)c2ncc([N+](=O)[O-])cc12 ZINC000853558139 671245005 /nfs/dbraw/zinc/24/50/05/671245005.db2.gz RAALCYGCPWFQNP-GFCCVEGCSA-N 1 1 321.337 0.953 20 5 DCBDMO Cc1nn(C[N@@H+](C)C[C@@H]2COCCO2)c2ncc([N+](=O)[O-])cc12 ZINC000853558139 671245008 /nfs/dbraw/zinc/24/50/08/671245008.db2.gz RAALCYGCPWFQNP-GFCCVEGCSA-N 1 1 321.337 0.953 20 5 DCBDMO COC(=O)CC[C@@H]([NH3+])c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000822862132 671350598 /nfs/dbraw/zinc/35/05/98/671350598.db2.gz IADFGPDHFCJKOM-SNVBAGLBSA-N 1 1 321.293 0.917 20 5 DCBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000833336563 671746970 /nfs/dbraw/zinc/74/69/70/671746970.db2.gz FOOUOSQLBLFPCR-UBHSHLNASA-N 1 1 305.334 0.791 20 5 DCBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000837193556 671850319 /nfs/dbraw/zinc/85/03/19/671850319.db2.gz VPLLWJCLHZFZLV-JTQLQIEISA-N 1 1 308.338 0.316 20 5 DCBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000837193556 671850323 /nfs/dbraw/zinc/85/03/23/671850323.db2.gz VPLLWJCLHZFZLV-JTQLQIEISA-N 1 1 308.338 0.316 20 5 DCBDMO CCn1nnc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020138826 693709728 /nfs/dbraw/zinc/70/97/28/693709728.db2.gz CFUFXPGFFWDRRO-DDHJBXDOSA-N 1 1 322.369 0.008 20 5 DCBDMO CCn1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001020139578 693710762 /nfs/dbraw/zinc/71/07/62/693710762.db2.gz GOAGPGZXXQVSJB-FDYHWXHSSA-N 1 1 307.354 0.305 20 5 DCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](Cc1cccnc1)C2 ZINC001072727033 694657462 /nfs/dbraw/zinc/65/74/62/694657462.db2.gz XQCKTJSAHKEMMQ-ZIAGYGMSSA-N 1 1 316.361 0.781 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@H+](Cc1cccnc1)C2 ZINC001072727033 694657463 /nfs/dbraw/zinc/65/74/63/694657463.db2.gz XQCKTJSAHKEMMQ-ZIAGYGMSSA-N 1 1 316.361 0.781 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](Cc1cccnc1)C2 ZINC001072727033 694657465 /nfs/dbraw/zinc/65/74/65/694657465.db2.gz XQCKTJSAHKEMMQ-ZIAGYGMSSA-N 1 1 316.361 0.781 20 5 DCBDMO CC(=O)NCC(=O)NCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001567268704 1160288199 /nfs/dbraw/zinc/28/81/99/1160288199.db2.gz ASBVBNYBOABXCK-UHFFFAOYSA-N 1 1 308.338 0.279 20 5 DCBDMO CC(=O)NCC(=O)NCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001567268704 1160288206 /nfs/dbraw/zinc/28/82/06/1160288206.db2.gz ASBVBNYBOABXCK-UHFFFAOYSA-N 1 1 308.338 0.279 20 5 DCBDMO O=C(NCCCCC[NH+]1CCNCC1)c1ccc([N+](=O)[O-])cn1 ZINC001580683306 1165685691 /nfs/dbraw/zinc/68/56/91/1165685691.db2.gz SMBONJLLSSWCSD-UHFFFAOYSA-N 1 1 321.381 0.795 20 5 DCBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC([NH2+]CCO)CC1 ZINC001580811465 1165724702 /nfs/dbraw/zinc/72/47/02/1165724702.db2.gz CEKWJAGJYUJNNY-UHFFFAOYSA-N 1 1 309.322 0.487 20 5 DCBDMO CN1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@@H+](C)CC1 ZINC001597658837 1168010116 /nfs/dbraw/zinc/01/01/16/1168010116.db2.gz QRYWEADJCCRNAJ-UHFFFAOYSA-N 1 1 323.353 0.015 20 5 DCBDMO C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001603839958 1169408834 /nfs/dbraw/zinc/40/88/34/1169408834.db2.gz OQTFEBVNFALNGZ-GMSGAONNSA-N 1 1 304.314 0.674 20 5 DCBDMO C[C@@H]1[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001603839960 1169408902 /nfs/dbraw/zinc/40/89/02/1169408902.db2.gz OQTFEBVNFALNGZ-XCBNKYQSSA-N 1 1 304.314 0.674 20 5 DCBDMO C[N@@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])CC1(CO)CC1 ZINC001604795706 1169685703 /nfs/dbraw/zinc/68/57/03/1169685703.db2.gz WRUDCZOYMMONNR-UHFFFAOYSA-N 1 1 318.337 0.979 20 5 DCBDMO C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1(C)C ZINC001604868514 1169720883 /nfs/dbraw/zinc/72/08/83/1169720883.db2.gz BAOOVQLNVIBNAL-UHFFFAOYSA-N 1 1 318.341 0.700 20 5 DCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@@H+](CCO)C1CC1 ZINC001607078053 1170381531 /nfs/dbraw/zinc/38/15/31/1170381531.db2.gz YZSRSXZLFVCUQR-UHFFFAOYSA-N 1 1 304.310 0.732 20 5 DCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@H+](CCO)C1CC1 ZINC001607078053 1170381538 /nfs/dbraw/zinc/38/15/38/1170381538.db2.gz YZSRSXZLFVCUQR-UHFFFAOYSA-N 1 1 304.310 0.732 20 5 DCBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC001623260861 1171435374 /nfs/dbraw/zinc/43/53/74/1171435374.db2.gz SGGZLSUIKASVJJ-JTQLQIEISA-N 1 1 323.353 0.378 20 5 DCBDMO Cc1[nH]c(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC001638888728 1171812416 /nfs/dbraw/zinc/81/24/16/1171812416.db2.gz DVNLKUOLJASSDO-UHFFFAOYSA-N 1 1 305.294 0.413 20 5 DCBDMO Cn1ccnc1[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)(C)CO ZINC001646468904 1172393608 /nfs/dbraw/zinc/39/36/08/1172393608.db2.gz NVTWJQMUPQMVCY-GFCCVEGCSA-N 1 1 322.369 0.874 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccnc(N)c3[N+](=O)[O-])[C@H]2C1 ZINC001648175538 1173067876 /nfs/dbraw/zinc/06/78/76/1173067876.db2.gz UGGRIQGSNOMBNA-INTQDDNPSA-N 1 1 305.338 0.642 20 5 DCBDMO COc1c(O)ccc(C[NH2+][C@H](C)C(=O)NCCF)c1[N+](=O)[O-] ZINC001652296042 1173767834 /nfs/dbraw/zinc/76/78/34/1173767834.db2.gz VELROGIDNWNLNT-MRVPVSSYSA-N 1 1 315.301 0.873 20 5 DCBDMO NS(=O)(=O)C[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001654974422 1173813734 /nfs/dbraw/zinc/81/37/34/1173813734.db2.gz CNZRPLSRCKVMBT-VIFPVBQESA-N 1 1 317.342 0.844 20 5 DCBDMO NS(=O)(=O)C[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001654974422 1173813737 /nfs/dbraw/zinc/81/37/37/1173813737.db2.gz CNZRPLSRCKVMBT-VIFPVBQESA-N 1 1 317.342 0.844 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001658942434 1173926864 /nfs/dbraw/zinc/92/68/64/1173926864.db2.gz BXEUJRWIMYTRIR-RISCZKNCSA-N 1 1 323.349 0.517 20 5 DCBDMO COc1c(O)ccc(C[NH2+][C@H]2C(=O)NCC2(C)C)c1[N+](=O)[O-] ZINC001659701429 1173933712 /nfs/dbraw/zinc/93/37/12/1173933712.db2.gz UUIWTLORRNEKGX-LBPRGKRZSA-N 1 1 309.322 0.923 20 5 DCBDMO CCCC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001691933570 1177386374 /nfs/dbraw/zinc/38/63/74/1177386374.db2.gz KTBRLERXZDNSMM-ZIAGYGMSSA-N 1 1 312.414 0.528 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(O)(C[NH2+]C/C=C\Cl)CC1 ZINC001733883315 1186485064 /nfs/dbraw/zinc/48/50/64/1186485064.db2.gz MFZWGRLBUWBYAT-UGJREKFNSA-N 1 1 317.773 0.347 20 5 DCBDMO COC(=O)c1cnc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000357711395 719384275 /nfs/dbraw/zinc/38/42/75/719384275.db2.gz UHNQIHOAVRIXAR-VXGBXAGGSA-N 1 1 322.321 0.296 20 5 DCBDMO Nc1nc(N2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC001165039700 721912808 /nfs/dbraw/zinc/91/28/08/721912808.db2.gz VKDCFVFFMIBKER-NSHDSACASA-N 1 1 307.354 0.873 20 5 DCBDMO N=c1cc(C[NH3+])ncn1-c1ccc2nsnc2c1[N+](=O)[O-] ZINC001167359935 747131989 /nfs/dbraw/zinc/13/19/89/747131989.db2.gz WZIXQNXGWUXBEO-UHFFFAOYSA-N 1 1 303.307 0.723 20 5 DCBDMO Cc1[nH]ccc1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001125429923 747139094 /nfs/dbraw/zinc/13/90/94/747139094.db2.gz NWOMENXVKHIHIC-UHFFFAOYSA-N 1 1 306.326 0.484 20 5 DCBDMO CC(=O)Nc1cccc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001126932055 750142956 /nfs/dbraw/zinc/14/29/56/750142956.db2.gz GQHFMWFYTHGRSV-ZIAGYGMSSA-N 1 1 320.349 0.516 20 5 DCBDMO Cc1oncc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048814720 754956877 /nfs/dbraw/zinc/95/68/77/754956877.db2.gz ZQXRDKJRMPOHIA-XJFOESAGSA-N 1 1 320.349 0.538 20 5 DCBDMO Cc1oncc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001048814720 754956880 /nfs/dbraw/zinc/95/68/80/754956880.db2.gz ZQXRDKJRMPOHIA-XJFOESAGSA-N 1 1 320.349 0.538 20 5 DCBDMO Cc1oncc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001048814720 754956884 /nfs/dbraw/zinc/95/68/84/754956884.db2.gz ZQXRDKJRMPOHIA-XJFOESAGSA-N 1 1 320.349 0.538 20 5 DCBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@H+](C)[C@H](CO)C1 ZINC000828725305 759083634 /nfs/dbraw/zinc/08/36/34/759083634.db2.gz STHYOSUUWSDIOJ-RISCZKNCSA-N 1 1 322.365 0.530 20 5 DCBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000828725305 759083642 /nfs/dbraw/zinc/08/36/42/759083642.db2.gz STHYOSUUWSDIOJ-RISCZKNCSA-N 1 1 322.365 0.530 20 5 DCBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)n1 ZINC001135244448 765849895 /nfs/dbraw/zinc/84/98/95/765849895.db2.gz ABFBNKQDFIXKPG-OUAUKWLOSA-N 1 1 307.354 0.881 20 5 DCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001116433000 765870840 /nfs/dbraw/zinc/87/08/40/765870840.db2.gz YVFAENARCUPRSM-NSHDSACASA-N 1 1 323.353 0.123 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1ncccc1F ZINC001135727103 766068140 /nfs/dbraw/zinc/06/81/40/766068140.db2.gz MKPZNPFRWTYLGK-UHFFFAOYSA-N 1 1 322.300 0.382 20 5 DCBDMO CN1CC[C@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001120573244 767083665 /nfs/dbraw/zinc/08/36/65/767083665.db2.gz NCHLSWVKRZNEFN-OLZOCXBDSA-N 1 1 309.366 0.876 20 5 DCBDMO Cc1conc1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001146833717 767547072 /nfs/dbraw/zinc/54/70/72/767547072.db2.gz KSDRXJGMIUWHNH-UHFFFAOYSA-N 1 1 308.298 0.144 20 5 DCBDMO O=C(Cc1nnc[nH]1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001147278180 767703769 /nfs/dbraw/zinc/70/37/69/767703769.db2.gz UGVQZDJYJHSWKL-UHFFFAOYSA-N 1 1 304.310 0.161 20 5 DCBDMO Cc1c[nH+]cn1CC(=O)NCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001094008628 768807893 /nfs/dbraw/zinc/80/78/93/768807893.db2.gz RUAKOQNAMDCHER-UHFFFAOYSA-N 1 1 320.309 0.429 20 5 DCBDMO N=c1cc(C[NH3+])ncn1-c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001156625052 770877997 /nfs/dbraw/zinc/87/79/97/770877997.db2.gz WMYMQRGMODUHCH-UHFFFAOYSA-N 1 1 316.108 0.815 20 5 DCBDMO C[NH+](C)/C=C/c1cc(NC[C@@H]2CNC(=O)CO2)ncc1[N+](=O)[O-] ZINC001158392575 771767601 /nfs/dbraw/zinc/76/76/01/771767601.db2.gz AHTWLRZAKGOGDM-PGLGOXFNSA-N 1 1 321.337 0.449 20 5 DCBDMO C[NH+](C)/C=C/c1cc(NC[C@H]2CNC(=O)CO2)ncc1[N+](=O)[O-] ZINC001158392576 771767626 /nfs/dbraw/zinc/76/76/26/771767626.db2.gz AHTWLRZAKGOGDM-UFFNRZRYSA-N 1 1 321.337 0.449 20 5 DCBDMO CC(C)(C)OC(=O)[C@@H]([NH3+])C1CN(c2cc([N+](=O)[O-])cc[n+]2[O-])C1 ZINC001163117352 772465382 /nfs/dbraw/zinc/46/53/82/772465382.db2.gz FHOWDDBICVNLBA-LBPRGKRZSA-N 1 1 324.337 0.333 20 5 DCBDMO Cc1nc(NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)ncc1[N+](=O)[O-] ZINC001164380498 772652939 /nfs/dbraw/zinc/65/29/39/772652939.db2.gz WPWCZUJIAQLPBV-SMDDNHRTSA-N 1 1 323.353 0.331 20 5 DCBDMO C[NH+](C)/C=C/c1cc(N2CCOC[C@H](O)C2)ncc1[N+](=O)[O-] ZINC001164512377 772671554 /nfs/dbraw/zinc/67/15/54/772671554.db2.gz YVTSGCSDYJZVJB-AAOUONPWSA-N 1 1 308.338 0.720 20 5 DCBDMO C[NH+]1CCN(C(=O)CO[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001222537203 775381298 /nfs/dbraw/zinc/38/12/98/775381298.db2.gz SKGVNRIOLFSTQY-OAHLLOKOSA-N 1 1 319.361 0.853 20 5 DCBDMO CCOC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1O[C@H]1CC[N@@H+](C)C1 ZINC001226307288 775796930 /nfs/dbraw/zinc/79/69/30/775796930.db2.gz HURPUDABPILKCN-QMMMGPOBSA-N 1 1 311.294 0.955 20 5 DCBDMO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ncc([N+](=O)[O-])cn3)C[C@H]1[N@H+]2C ZINC001226734539 775870914 /nfs/dbraw/zinc/87/09/14/775870914.db2.gz YBLUCTHJSMPSJA-FTYKPCCVSA-N 1 1 322.321 0.930 20 5 DCBDMO C[N@@H+]1CCO[C@@H](COc2n[nH]c(=O)c3cccc([N+](=O)[O-])c32)C1 ZINC001229368142 776185266 /nfs/dbraw/zinc/18/52/66/776185266.db2.gz XCHSADKVNDKHLT-SECBINFHSA-N 1 1 320.305 0.953 20 5 DCBDMO C[N@H+]1CCO[C@@H](COc2n[nH]c(=O)c3cccc([N+](=O)[O-])c32)C1 ZINC001229368142 776185268 /nfs/dbraw/zinc/18/52/68/776185268.db2.gz XCHSADKVNDKHLT-SECBINFHSA-N 1 1 320.305 0.953 20 5 DCBDMO C[N@@H+](CCCC1CCOCC1)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267194141 939381158 /nfs/dbraw/zinc/38/11/58/939381158.db2.gz JEMUHQZWINNMPX-ZIAGYGMSSA-N 1 1 313.398 0.906 20 5 DCBDMO C[N@H+](CCCC1CCOCC1)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001267194141 939381160 /nfs/dbraw/zinc/38/11/60/939381160.db2.gz JEMUHQZWINNMPX-ZIAGYGMSSA-N 1 1 313.398 0.906 20 5 DCBDMO C[N@@H+](CCCC1CCOCC1)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001267194141 939381164 /nfs/dbraw/zinc/38/11/64/939381164.db2.gz JEMUHQZWINNMPX-ZIAGYGMSSA-N 1 1 313.398 0.906 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(CNC(=O)c2ncc[nH]2)CC1 ZINC001269408199 940700263 /nfs/dbraw/zinc/70/02/63/940700263.db2.gz ZYGAIULYOWXCNQ-UHFFFAOYSA-N 1 1 319.325 0.104 20 5 DCBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2N)[C@@H](C)C[N@@H+]1CCO ZINC001299563496 946927513 /nfs/dbraw/zinc/92/75/13/946927513.db2.gz MGGMICIUIBCSKE-MNOVXSKESA-N 1 1 322.365 0.704 20 5 DCBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2N)[C@@H](C)C[N@H+]1CCO ZINC001299563496 946927518 /nfs/dbraw/zinc/92/75/18/946927518.db2.gz MGGMICIUIBCSKE-MNOVXSKESA-N 1 1 322.365 0.704 20 5 DCBDMO Cc1nc(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)ncc1[N+](=O)[O-] ZINC001324416880 947421250 /nfs/dbraw/zinc/42/12/50/947421250.db2.gz KFLNNAZWYFRABY-CYBMUJFWSA-N 1 1 320.397 0.909 20 5 DCBDMO C[NH+]1CCN(CCCCNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC001325609942 947854883 /nfs/dbraw/zinc/85/48/83/947854883.db2.gz CJOFBUKVVMSDIU-UHFFFAOYSA-N 1 1 310.358 0.075 20 5 DCBDMO CCCCC[NH+]1CCN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001265258156 949502889 /nfs/dbraw/zinc/50/28/89/949502889.db2.gz AQHNVIOIEVFVEU-ZIAGYGMSSA-N 1 1 312.414 0.576 20 5 DCBDMO O=C(NC1CC1)[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC001330694562 950593406 /nfs/dbraw/zinc/59/34/06/950593406.db2.gz JZZURDBXJAFXQT-LLVKDONJSA-N 1 1 307.354 0.782 20 5 DCBDMO Cc1nc(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)ncc1[N+](=O)[O-] ZINC001333872448 952183041 /nfs/dbraw/zinc/18/30/41/952183041.db2.gz KTALDXQEEZRTEI-RYUDHWBXSA-N 1 1 307.354 0.729 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC001348971316 954552418 /nfs/dbraw/zinc/55/24/18/954552418.db2.gz TUHVBNVSVIDPQH-NEPJUHHUSA-N 1 1 320.349 0.309 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC001353286904 956005058 /nfs/dbraw/zinc/00/50/58/956005058.db2.gz YWADLRCOPRGMSX-DRZSPHRISA-N 1 1 321.381 0.983 20 5 DCBDMO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[NH+](CCOC)CC1 ZINC001356351473 956838438 /nfs/dbraw/zinc/83/84/38/956838438.db2.gz LVJHHRKIFQFVGY-NSHDSACASA-N 1 1 312.374 0.404 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)c1 ZINC001307944580 960164908 /nfs/dbraw/zinc/16/49/08/960164908.db2.gz GLWIFZWQFLABGX-DOMZBBRYSA-N 1 1 324.333 0.699 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](O)C[C@@]2(C)CO)c1 ZINC001307944580 960164913 /nfs/dbraw/zinc/16/49/13/960164913.db2.gz GLWIFZWQFLABGX-DOMZBBRYSA-N 1 1 324.333 0.699 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](O)CC23CCC3)c1 ZINC001473566993 1016949058 /nfs/dbraw/zinc/94/90/58/1016949058.db2.gz GXXADUFHMAOWAH-OLZOCXBDSA-N 1 1 310.354 0.532 20 5 DCBDMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001520037878 1017243006 /nfs/dbraw/zinc/24/30/06/1017243006.db2.gz UTMHGMOEMWZJGW-SWLSCSKDSA-N 1 1 318.377 0.642 20 5 DCBDMO C[C@@H]1[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@H+]1C ZINC001477127168 1017256606 /nfs/dbraw/zinc/25/66/06/1017256606.db2.gz GAFYOUIFLKMLKY-LDYMZIIASA-N 1 1 321.337 0.908 20 5 DCBDMO COC(=O)Cc1ccc(N2CC([NH2+]C3COC3)C2)c([N+](=O)[O-])c1 ZINC001559288417 1012414001 /nfs/dbraw/zinc/41/40/01/1012414001.db2.gz BTTIBJZTUFEQCM-UHFFFAOYSA-N 1 1 321.333 0.487 20 5 DCBDMO O=[N+]([O-])c1ccc(NC[C@@]2(CO)COCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001559270942 1012415014 /nfs/dbraw/zinc/41/50/14/1012415014.db2.gz MDIKCYJZEHYMPH-GFCCVEGCSA-N 1 1 312.282 0.266 20 5 DCBDMO O=[N+]([O-])c1c(NC[C@@]2(CO)COCC[NH2+]2)ccc2cnccc21 ZINC001559270892 1012415758 /nfs/dbraw/zinc/41/57/58/1012415758.db2.gz KDMLTVUNNZCLFO-OAHLLOKOSA-N 1 1 318.333 0.906 20 5 DCBDMO CC(C)(O)C[C@H](O)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001559889841 1012435287 /nfs/dbraw/zinc/43/52/87/1012435287.db2.gz XRZBDJCZFIFCLW-LBPRGKRZSA-N 1 1 324.381 0.634 20 5 DCBDMO NC(=O)C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC001460706384 1012955877 /nfs/dbraw/zinc/95/58/77/1012955877.db2.gz FKJCZLINGPUTMK-CQSZACIVSA-N 1 1 323.349 0.595 20 5 DCBDMO Cc1ncc(CN(C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001496698030 1019545972 /nfs/dbraw/zinc/54/59/72/1019545972.db2.gz IGNLHWMRIJCUOW-CHWSQXEVSA-N 1 1 307.354 0.340 20 5 DCBDMO NS(=O)(=O)C[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001660447753 1173994721 /nfs/dbraw/zinc/99/47/21/1173994721.db2.gz MYZHGXRTXXFKQE-GFCCVEGCSA-N 1 1 313.379 0.748 20 5 DCBDMO COc1ccc(NC(=O)N2CC[NH+](CCO)CC2)cc1[N+](=O)[O-] ZINC000272762813 210168222 /nfs/dbraw/zinc/16/82/22/210168222.db2.gz AUDYCSLPSWOGJZ-UHFFFAOYSA-N 1 1 324.337 0.745 20 5 DCBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)n1 ZINC000331926461 234286443 /nfs/dbraw/zinc/28/64/43/234286443.db2.gz DFOVEIUESSCHIA-JQWIXIFHSA-N 1 1 323.353 0.356 20 5 DCBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000180759928 199205251 /nfs/dbraw/zinc/20/52/51/199205251.db2.gz RSUVNXSXAPFMNH-LLVKDONJSA-N 1 1 322.365 0.706 20 5 DCBDMO C[C@H](O)C[C@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000447844155 240597572 /nfs/dbraw/zinc/59/75/72/240597572.db2.gz PEVQCRSMSNIYLY-SCRDCRAPSA-N 1 1 312.370 0.778 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCSC[C@@H]1CCO ZINC000341595445 253399518 /nfs/dbraw/zinc/39/95/18/253399518.db2.gz VEDGVVKYTNXUJW-LBPRGKRZSA-N 1 1 313.379 0.556 20 5 DCBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H](C)C1 ZINC000346185089 254020663 /nfs/dbraw/zinc/02/06/63/254020663.db2.gz NSULXDRDCMOBFD-TUAOUCFPSA-N 1 1 322.369 0.375 20 5 DCBDMO COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000346695072 254083935 /nfs/dbraw/zinc/08/39/35/254083935.db2.gz YCVXWFFGKMNFEE-ZMLRMANQSA-N 1 1 312.326 0.036 20 5 DCBDMO C[C@H](O)C[N@H+](CCO)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000289650624 221130045 /nfs/dbraw/zinc/13/00/45/221130045.db2.gz DTUWZUUUOPTKNU-JTQLQIEISA-N 1 1 322.321 0.820 20 5 DCBDMO C[C@H](O)C[N@@H+](CCO)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000289650624 221130046 /nfs/dbraw/zinc/13/00/46/221130046.db2.gz DTUWZUUUOPTKNU-JTQLQIEISA-N 1 1 322.321 0.820 20 5 DCBDMO COCC[NH+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000112913541 395825591 /nfs/dbraw/zinc/82/55/91/395825591.db2.gz HDTQSFJDAIEJJX-UHFFFAOYSA-N 1 1 322.365 0.797 20 5 DCBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1COCC[NH2+]1 ZINC000235762018 395893094 /nfs/dbraw/zinc/89/30/94/395893094.db2.gz BFIOVVKAGUBRMJ-SNVBAGLBSA-N 1 1 315.351 0.170 20 5 DCBDMO CCNC(=O)C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000054223586 395895424 /nfs/dbraw/zinc/89/54/24/395895424.db2.gz FIUIDDYGZMEEDO-UHFFFAOYSA-N 1 1 308.338 0.991 20 5 DCBDMO NC(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273169623 395904698 /nfs/dbraw/zinc/90/46/98/395904698.db2.gz OQWMEJNEAORDID-GHMZBOCLSA-N 1 1 324.337 0.077 20 5 DCBDMO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000119149590 395867787 /nfs/dbraw/zinc/86/77/87/395867787.db2.gz YKNLOGFHUIUIFU-FZMZJTMJSA-N 1 1 307.350 0.973 20 5 DCBDMO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000119149590 395867790 /nfs/dbraw/zinc/86/77/90/395867790.db2.gz YKNLOGFHUIUIFU-FZMZJTMJSA-N 1 1 307.350 0.973 20 5 DCBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000246578298 395953380 /nfs/dbraw/zinc/95/33/80/395953380.db2.gz CGIIPCOTCIJTRW-RYUDHWBXSA-N 1 1 307.354 0.734 20 5 DCBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000274552936 395958104 /nfs/dbraw/zinc/95/81/04/395958104.db2.gz XZKWYHBQJKZOJA-LBPRGKRZSA-N 1 1 322.365 0.746 20 5 DCBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000247314316 395971697 /nfs/dbraw/zinc/97/16/97/395971697.db2.gz HQSWWDKWCNGQOH-DGCLKSJQSA-N 1 1 322.365 0.555 20 5 DCBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154300181 396035907 /nfs/dbraw/zinc/03/59/07/396035907.db2.gz RMCBCHFNDRGBBU-SMDDNHRTSA-N 1 1 324.381 0.824 20 5 DCBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H](O)C[NH+](C)C ZINC000154300181 396035910 /nfs/dbraw/zinc/03/59/10/396035910.db2.gz RMCBCHFNDRGBBU-SMDDNHRTSA-N 1 1 324.381 0.824 20 5 DCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000276612068 396015132 /nfs/dbraw/zinc/01/51/32/396015132.db2.gz ZKFXNPOGEHLZKQ-LLVKDONJSA-N 1 1 307.354 0.153 20 5 DCBDMO C[C@H]1SCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000075749089 396186432 /nfs/dbraw/zinc/18/64/32/396186432.db2.gz CZVSPKSRGVHIHU-UMNHJUIQSA-N 1 1 300.384 0.978 20 5 DCBDMO COCC[N@H+]1CC[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000264469758 396283109 /nfs/dbraw/zinc/28/31/09/396283109.db2.gz GCKKKIVCHMFSKE-LLVKDONJSA-N 1 1 311.342 0.018 20 5 DCBDMO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000180404775 396232586 /nfs/dbraw/zinc/23/25/86/396232586.db2.gz HQGGDGOQOSUWGY-WDEREUQCSA-N 1 1 322.365 0.838 20 5 DCBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000264536754 396288348 /nfs/dbraw/zinc/28/83/48/396288348.db2.gz NBCRPMXQXLOSIY-CYBMUJFWSA-N 1 1 320.349 0.664 20 5 DCBDMO COC(=O)CNC(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282435610 396290382 /nfs/dbraw/zinc/29/03/82/396290382.db2.gz KOQHFVLTLINWOA-UHFFFAOYSA-N 1 1 309.322 0.358 20 5 DCBDMO COC(=O)CNC(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282435610 396290384 /nfs/dbraw/zinc/29/03/84/396290384.db2.gz KOQHFVLTLINWOA-UHFFFAOYSA-N 1 1 309.322 0.358 20 5 DCBDMO NC(=O)C[C@@H]([NH3+])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000269665184 396433965 /nfs/dbraw/zinc/43/39/65/396433965.db2.gz XMTSYOAJQJDVBK-GFCCVEGCSA-N 1 1 308.338 0.236 20 5 DCBDMO C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000192920406 396440446 /nfs/dbraw/zinc/44/04/46/396440446.db2.gz XQBGLDHYEUCAAV-PHIMTYICSA-N 1 1 311.363 0.777 20 5 DCBDMO C[N@H+]1CC[C@@H](C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000580936892 396512437 /nfs/dbraw/zinc/51/24/37/396512437.db2.gz XRIZCHGUEWDUEG-GFCCVEGCSA-N 1 1 319.365 0.590 20 5 DCBDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595680375 396648401 /nfs/dbraw/zinc/64/84/01/396648401.db2.gz ZYZSQCBDQZEWIU-BNOWGMLFSA-N 1 1 312.370 0.635 20 5 DCBDMO Cc1nn(C)c(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000294011987 396648366 /nfs/dbraw/zinc/64/83/66/396648366.db2.gz YFYQVALOZKHPOE-AWEZNQCLSA-N 1 1 307.354 0.805 20 5 DCBDMO O=C1CC[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)CC[C@H]2N1 ZINC000595729889 396653187 /nfs/dbraw/zinc/65/31/87/396653187.db2.gz WEXZYUTZODICTK-DGCLKSJQSA-N 1 1 320.349 0.357 20 5 DCBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588861853 396695737 /nfs/dbraw/zinc/69/57/37/396695737.db2.gz VSDNUKXGBFMSFU-UONOGXRCSA-N 1 1 305.334 0.876 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](O)[C@H](n2ccnn2)C1 ZINC000600217616 396759314 /nfs/dbraw/zinc/75/93/14/396759314.db2.gz LAEIEJYROBPVSD-ZIAGYGMSSA-N 1 1 303.322 0.913 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](O)[C@H](n2ccnn2)C1 ZINC000600217616 396759316 /nfs/dbraw/zinc/75/93/16/396759316.db2.gz LAEIEJYROBPVSD-ZIAGYGMSSA-N 1 1 303.322 0.913 20 5 DCBDMO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1COCCN1)OCCO2 ZINC000600678488 396915710 /nfs/dbraw/zinc/91/57/10/396915710.db2.gz QUFFLJRQGYAQJE-LLVKDONJSA-N 1 1 309.322 0.444 20 5 DCBDMO COc1ccc(CC(=O)NCC[N@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000600807421 396945844 /nfs/dbraw/zinc/94/58/44/396945844.db2.gz CNZKRFIXGSQFEH-LBPRGKRZSA-N 1 1 323.349 0.329 20 5 DCBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000600807339 396946298 /nfs/dbraw/zinc/94/62/98/396946298.db2.gz AWNGAVOCQSLRNC-SOUVJXGZSA-N 1 1 319.361 0.881 20 5 DCBDMO O=C(CNc1ccccc1[N+](=O)[O-])NCC[N@@H+]1CC[C@H](O)C1 ZINC000600810344 396947273 /nfs/dbraw/zinc/94/72/73/396947273.db2.gz YDYADGPTNHYFSQ-NSHDSACASA-N 1 1 308.338 0.190 20 5 DCBDMO CCCc1n[nH]c(C(=O)NCC[N@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000600809476 396947524 /nfs/dbraw/zinc/94/75/24/396947524.db2.gz YZKDOTCNYZECMU-VIFPVBQESA-N 1 1 311.342 0.067 20 5 DCBDMO COCC[N@@H+](C)C[C@@H](O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000571416809 396950130 /nfs/dbraw/zinc/95/01/30/396950130.db2.gz IFIPJRQOYWCIJT-LLVKDONJSA-N 1 1 314.338 0.921 20 5 DCBDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000592205235 397127919 /nfs/dbraw/zinc/12/79/19/397127919.db2.gz VTOJCYWOBUSAPY-YPMHNXCESA-N 1 1 324.333 0.829 20 5 DCBDMO CCCc1[nH]nc(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000592306217 397147919 /nfs/dbraw/zinc/14/79/19/397147919.db2.gz CRGMXLUSYMNNGB-SCZZXKLOSA-N 1 1 311.342 0.459 20 5 DCBDMO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000601659318 397208729 /nfs/dbraw/zinc/20/87/29/397208729.db2.gz OCGRXUOCWKOIOW-SNVBAGLBSA-N 1 1 309.297 0.625 20 5 DCBDMO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000601659318 397208734 /nfs/dbraw/zinc/20/87/34/397208734.db2.gz OCGRXUOCWKOIOW-SNVBAGLBSA-N 1 1 309.297 0.625 20 5 DCBDMO CCC[N@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000598341882 397216337 /nfs/dbraw/zinc/21/63/37/397216337.db2.gz HTEPLILGQRJHQT-LLVKDONJSA-N 1 1 308.338 0.357 20 5 DCBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366146648 397341769 /nfs/dbraw/zinc/34/17/69/397341769.db2.gz XTOYJARQPSLZKY-LBPRGKRZSA-N 1 1 323.353 0.115 20 5 DCBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366146647 397342193 /nfs/dbraw/zinc/34/21/93/397342193.db2.gz XTOYJARQPSLZKY-GFCCVEGCSA-N 1 1 323.353 0.115 20 5 DCBDMO O=C1CCc2cc([N+](=O)[O-])c(NCC[N@@H+]3CC[C@@H](O)C3)cc2N1 ZINC000599176816 397354924 /nfs/dbraw/zinc/35/49/24/397354924.db2.gz ZNGHGPSPVIODDH-LLVKDONJSA-N 1 1 320.349 0.958 20 5 DCBDMO Cn1ccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000578186779 397401489 /nfs/dbraw/zinc/40/14/89/397401489.db2.gz BJRWMIMMPNXHOK-LBPRGKRZSA-N 1 1 306.322 0.858 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000602890193 397514183 /nfs/dbraw/zinc/51/41/83/397514183.db2.gz XJHLJHLQMAMCGV-VXGBXAGGSA-N 1 1 307.354 0.700 20 5 DCBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000371237550 397562480 /nfs/dbraw/zinc/56/24/80/397562480.db2.gz CROIKIDXLZLFAN-HNNXBMFYSA-N 1 1 318.377 0.943 20 5 DCBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000603486463 397614167 /nfs/dbraw/zinc/61/41/67/397614167.db2.gz ZSDGFMYCVIROOY-ZDUSSCGKSA-N 1 1 323.353 0.115 20 5 DCBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106789640 158134296 /nfs/dbraw/zinc/13/42/96/158134296.db2.gz AGMLDUDMSKKGHL-NSHDSACASA-N 1 1 307.354 0.924 20 5 DCBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000330597115 159199812 /nfs/dbraw/zinc/19/98/12/159199812.db2.gz SGERXETZAYAAHR-QWRGUYRKSA-N 1 1 308.338 0.308 20 5 DCBDMO Cc1nc(N2CCC[C@H](N3CC[NH2+]CC3=O)C2)ncc1[N+](=O)[O-] ZINC000420238348 287283869 /nfs/dbraw/zinc/28/38/69/287283869.db2.gz KXICAAAIBJCJQX-NSHDSACASA-N 1 1 320.353 0.094 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000331639539 415164739 /nfs/dbraw/zinc/16/47/39/415164739.db2.gz PIEPCKZVRVHHBF-WDEREUQCSA-N 1 1 307.354 0.819 20 5 DCBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000268199142 415174874 /nfs/dbraw/zinc/17/48/74/415174874.db2.gz ODXDIJWHMHBZGG-ZWNOBZJWSA-N 1 1 307.354 0.780 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000268235255 415181641 /nfs/dbraw/zinc/18/16/41/415181641.db2.gz NWOWYESAALVYBY-CABZTGNLSA-N 1 1 307.354 0.699 20 5 DCBDMO CN(CCCN1CC[NH+](C)CC1)Cc1c([N+](=O)[O-])ncn1C ZINC000352785526 415319806 /nfs/dbraw/zinc/31/98/06/415319806.db2.gz ZXQWFDGVJCFVNH-UHFFFAOYSA-N 1 1 310.402 0.398 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](COC(F)F)C2)c1 ZINC000353021377 415407932 /nfs/dbraw/zinc/40/79/32/415407932.db2.gz JTDVFVVYBUUGCW-MWLCHTKSSA-N 1 1 320.296 0.713 20 5 DCBDMO C[N@H+]1CCN(CCNc2ncc([N+](=O)[O-])c(N)n2)CC1(C)C ZINC000281668610 415566922 /nfs/dbraw/zinc/56/69/22/415566922.db2.gz PJHAYPFLUQGHKA-UHFFFAOYSA-N 1 1 309.374 0.405 20 5 DCBDMO CC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000102488840 415598469 /nfs/dbraw/zinc/59/84/69/415598469.db2.gz BAWVKEYIELGHKH-NSHDSACASA-N 1 1 309.370 0.984 20 5 DCBDMO CC[N@H+](C)CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000130916692 415924438 /nfs/dbraw/zinc/92/44/38/415924438.db2.gz VXLUCZPUXSCPKD-UHFFFAOYSA-N 1 1 305.331 0.964 20 5 DCBDMO CC[N@@H+](C)CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000130916692 415924442 /nfs/dbraw/zinc/92/44/42/415924442.db2.gz VXLUCZPUXSCPKD-UHFFFAOYSA-N 1 1 305.331 0.964 20 5 DCBDMO Cc1nn(C)c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000299147547 416055059 /nfs/dbraw/zinc/05/50/59/416055059.db2.gz JXKAQWNDYFPYMR-GHMZBOCLSA-N 1 1 307.354 0.993 20 5 DCBDMO Cc1nn(C)c(C(=O)NCCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000338353474 416085044 /nfs/dbraw/zinc/08/50/44/416085044.db2.gz WOKNJSKJGRNISV-UHFFFAOYSA-N 1 1 306.326 0.962 20 5 DCBDMO CCc1nn(C)c(N2CC[NH+](C[C@H](O)CC)CC2)c1[N+](=O)[O-] ZINC000301943836 416097216 /nfs/dbraw/zinc/09/72/16/416097216.db2.gz YWASDDAEDASMJK-LLVKDONJSA-N 1 1 311.386 0.784 20 5 DCBDMO CN(CC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000358051266 416179290 /nfs/dbraw/zinc/17/92/90/416179290.db2.gz BKEKQGXSUDUCBJ-HNNXBMFYSA-N 1 1 322.365 0.214 20 5 DCBDMO CC[N@@H+](CCO)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000183958592 416250356 /nfs/dbraw/zinc/25/03/56/416250356.db2.gz GDZHCCOUWGPHTR-UHFFFAOYSA-N 1 1 314.317 0.360 20 5 DCBDMO C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@H+]1CC(C)(C)O ZINC000189904871 416271296 /nfs/dbraw/zinc/27/12/96/416271296.db2.gz LDDYEPRHQOVEST-LBPRGKRZSA-N 1 1 311.386 0.568 20 5 DCBDMO O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)N1 ZINC000192678605 416309392 /nfs/dbraw/zinc/30/93/92/416309392.db2.gz UFDUDFLNZMKATH-AWEZNQCLSA-N 1 1 322.296 0.908 20 5 DCBDMO O=C1NC(=O)[C@@]2(CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)N1 ZINC000192678605 416309395 /nfs/dbraw/zinc/30/93/95/416309395.db2.gz UFDUDFLNZMKATH-AWEZNQCLSA-N 1 1 322.296 0.908 20 5 DCBDMO C[N@H+]1CC[C@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000416493254 416372356 /nfs/dbraw/zinc/37/23/56/416372356.db2.gz DHTFUCMXKIJUBN-GFCCVEGCSA-N 1 1 313.379 0.966 20 5 DCBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000360810910 416411765 /nfs/dbraw/zinc/41/17/65/416411765.db2.gz FVKAOTJWPGDXKP-SNVBAGLBSA-N 1 1 311.342 0.169 20 5 DCBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000458567659 416481842 /nfs/dbraw/zinc/48/18/42/416481842.db2.gz OJZLRTNEQXSRDW-LBPRGKRZSA-N 1 1 324.385 0.917 20 5 DCBDMO C[C@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000361904001 416519963 /nfs/dbraw/zinc/51/99/63/416519963.db2.gz YVISPFAVQLJPEJ-SNVBAGLBSA-N 1 1 324.337 0.394 20 5 DCBDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000367583844 416647715 /nfs/dbraw/zinc/64/77/15/416647715.db2.gz GDRHZZNLBASSKP-QWHCGFSZSA-N 1 1 309.370 0.586 20 5 DCBDMO CNc1nccc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000551896275 416697621 /nfs/dbraw/zinc/69/76/21/416697621.db2.gz IMMJVHPXJAUOLK-ZYHUDNBSSA-N 1 1 319.365 1.198 20 5 DCBDMO CC1(C)CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1CCO ZINC000614920568 416724487 /nfs/dbraw/zinc/72/44/87/416724487.db2.gz KNTQRRIUIKEGOE-UHFFFAOYSA-N 1 1 324.381 0.145 20 5 DCBDMO CCC[C@]1(CO)CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000444771152 416867880 /nfs/dbraw/zinc/86/78/80/416867880.db2.gz IESQXTFIBVANRA-UONOGXRCSA-N 1 1 312.370 0.779 20 5 DCBDMO CNc1nccc(C(=O)NCCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000561165162 416857243 /nfs/dbraw/zinc/85/72/43/416857243.db2.gz CIAZWKCFKVREEZ-UHFFFAOYSA-N 1 1 318.337 1.357 20 5 DCBDMO Cc1[nH+]cc2n1C[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)CC2 ZINC000565073836 416918848 /nfs/dbraw/zinc/91/88/48/416918848.db2.gz QCXUZZKGKUHHCH-NSHDSACASA-N 1 1 318.337 0.675 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)n1 ZINC000450777461 417265840 /nfs/dbraw/zinc/26/58/40/417265840.db2.gz JOAFQHCZRNVRHI-JOYOIKCWSA-N 1 1 306.322 0.917 20 5 DCBDMO CNc1nccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000574582357 417486084 /nfs/dbraw/zinc/48/60/84/417486084.db2.gz GVKNGTHMBQFYPC-UWVGGRQHSA-N 1 1 307.354 1.244 20 5 DCBDMO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452787089 417502968 /nfs/dbraw/zinc/50/29/68/417502968.db2.gz YFQTYONIIATPSI-NSHDSACASA-N 1 1 322.365 0.754 20 5 DCBDMO CC(C)[N@@H+](C)CCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000530941175 417598330 /nfs/dbraw/zinc/59/83/30/417598330.db2.gz NMIUAHRBUXVYRR-UHFFFAOYSA-N 1 1 316.383 0.994 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000456169894 417628934 /nfs/dbraw/zinc/62/89/34/417628934.db2.gz PYKCWGMJDNUEEY-PWSUYJOCSA-N 1 1 307.354 0.689 20 5 DCBDMO CNc1nccc(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000577864907 417680647 /nfs/dbraw/zinc/68/06/47/417680647.db2.gz YFGMULIGMGWEJJ-OAHLLOKOSA-N 1 1 319.365 1.199 20 5 DCBDMO C[C@H]1CCC[N@@H+](CCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000299550718 229202817 /nfs/dbraw/zinc/20/28/17/229202817.db2.gz VYMVZIDGVUFBPF-LBPRGKRZSA-N 1 1 322.365 0.605 20 5 DCBDMO C[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@H]1C[N@H+](C)CCO1 ZINC000301985181 230021245 /nfs/dbraw/zinc/02/12/45/230021245.db2.gz YXSIDPQCYDGURS-NXEZZACHSA-N 1 1 306.326 0.769 20 5 DCBDMO C[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@H]1C[N@@H+](C)CCO1 ZINC000301985181 230021250 /nfs/dbraw/zinc/02/12/50/230021250.db2.gz YXSIDPQCYDGURS-NXEZZACHSA-N 1 1 306.326 0.769 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363223799 262106499 /nfs/dbraw/zinc/10/64/99/262106499.db2.gz JRPRLNYFROGAJJ-NEPJUHHUSA-N 1 1 323.353 0.079 20 5 DCBDMO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CC[N@@H+]1CCCOCC1 ZINC000412976972 262198312 /nfs/dbraw/zinc/19/83/12/262198312.db2.gz JSEBZMFZGPLSRD-UHFFFAOYSA-N 1 1 319.317 0.913 20 5 DCBDMO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CC[N@H+]1CCCOCC1 ZINC000412976972 262198313 /nfs/dbraw/zinc/19/83/13/262198313.db2.gz JSEBZMFZGPLSRD-UHFFFAOYSA-N 1 1 319.317 0.913 20 5 DCBDMO COC(=O)[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000413899387 262226623 /nfs/dbraw/zinc/22/66/23/262226623.db2.gz CUPGUJMGXMKRAG-LBPRGKRZSA-N 1 1 321.333 0.772 20 5 DCBDMO COC(=O)[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000413899387 262226625 /nfs/dbraw/zinc/22/66/25/262226625.db2.gz CUPGUJMGXMKRAG-LBPRGKRZSA-N 1 1 321.333 0.772 20 5 DCBDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)C2 ZINC000355234803 271002423 /nfs/dbraw/zinc/00/24/23/271002423.db2.gz VGUKIOLJBQQXOU-LLVKDONJSA-N 1 1 318.337 0.675 20 5 DCBDMO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000422710192 271378493 /nfs/dbraw/zinc/37/84/93/271378493.db2.gz FGMRDJUNVKIMPG-OCCSQVGLSA-N 1 1 323.349 0.987 20 5 DCBDMO Cc1nn(C)c(N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000302519501 279198497 /nfs/dbraw/zinc/19/84/97/279198497.db2.gz WVPDFJRBIPKEDQ-SNVBAGLBSA-N 1 1 311.386 0.918 20 5 DCBDMO C[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000261628922 288238388 /nfs/dbraw/zinc/23/83/88/288238388.db2.gz BAKFETVZNIRQPA-MRVPVSSYSA-N 1 1 303.315 0.716 20 5 DCBDMO CO[C@H]1COC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000290232948 294583857 /nfs/dbraw/zinc/58/38/57/294583857.db2.gz YECMYWVUNITUOM-CDMKHQONSA-N 1 1 309.322 0.925 20 5 DCBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000261715166 303009062 /nfs/dbraw/zinc/00/90/62/303009062.db2.gz KYKJGJXNWUYWGR-LLVKDONJSA-N 1 1 318.337 0.454 20 5 DCBDMO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000584230327 331872597 /nfs/dbraw/zinc/87/25/97/331872597.db2.gz YECMYWVUNITUOM-IRUJWGPZSA-N 1 1 309.322 0.925 20 5 DCBDMO CN(C)c1[nH+]cc(CNC(=O)c2cccc([N+](=O)[O-])c2N)n1C ZINC000267232970 522346406 /nfs/dbraw/zinc/34/64/06/522346406.db2.gz GZPZTWGLLKSSPF-UHFFFAOYSA-N 1 1 318.337 0.907 20 5 DCBDMO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(C)(CO)CO ZINC000159515729 523219785 /nfs/dbraw/zinc/21/97/85/523219785.db2.gz OWJINKDNBUXYFT-UHFFFAOYSA-N 1 1 311.338 0.116 20 5 DCBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(C)(CO)CO ZINC000159515729 523219792 /nfs/dbraw/zinc/21/97/92/523219792.db2.gz OWJINKDNBUXYFT-UHFFFAOYSA-N 1 1 311.338 0.116 20 5 DCBDMO C[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000188665897 524550730 /nfs/dbraw/zinc/55/07/30/524550730.db2.gz DFSAWTYRJVVMAU-VIFPVBQESA-N 1 1 311.342 0.235 20 5 DCBDMO C[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000188665897 524550735 /nfs/dbraw/zinc/55/07/35/524550735.db2.gz DFSAWTYRJVVMAU-VIFPVBQESA-N 1 1 311.342 0.235 20 5 DCBDMO CN1CCO[C@@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000121071359 536437116 /nfs/dbraw/zinc/43/71/16/536437116.db2.gz VMBQLESFTHAQTG-DZGCQCFKSA-N 1 1 307.350 0.988 20 5 DCBDMO CN1CCO[C@@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000121071359 536437119 /nfs/dbraw/zinc/43/71/19/536437119.db2.gz VMBQLESFTHAQTG-DZGCQCFKSA-N 1 1 307.350 0.988 20 5 DCBDMO CC(C)[N@@H+](C)CCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000302089308 528824228 /nfs/dbraw/zinc/82/42/28/528824228.db2.gz LMLYRFUQEUHUQA-UHFFFAOYSA-N 1 1 316.383 0.994 20 5 DCBDMO CC[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736568093 598673407 /nfs/dbraw/zinc/67/34/07/598673407.db2.gz AHFYATPGKNXYKI-UHFFFAOYSA-N 1 1 318.341 0.702 20 5 DCBDMO C[N@H+]1CCC[C@@H](CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821623998 606709910 /nfs/dbraw/zinc/70/99/10/606709910.db2.gz XDYJFXNMGWIZIT-VIFPVBQESA-N 1 1 318.341 0.924 20 5 DCBDMO C[C@]1(C2CC2)COCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000934480594 658440139 /nfs/dbraw/zinc/44/01/39/658440139.db2.gz DHKWWSYRQNKADM-ZIAGYGMSSA-N 1 1 310.354 0.653 20 5 DCBDMO C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896556069 662290030 /nfs/dbraw/zinc/29/00/30/662290030.db2.gz NZGFRICXEJZCJZ-HZMBPMFUSA-N 1 1 322.365 0.665 20 5 DCBDMO CC[N@H+]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910280162 663863970 /nfs/dbraw/zinc/86/39/70/663863970.db2.gz JCCVJSNJAOFOQW-GFCCVEGCSA-N 1 1 322.365 0.699 20 5 DCBDMO Cn1c(C(=O)N2CC[NH+](CCCCCO)CC2)ccc1[N+](=O)[O-] ZINC000913689686 664713210 /nfs/dbraw/zinc/71/32/10/664713210.db2.gz AEYWZHISFYSNKM-UHFFFAOYSA-N 1 1 324.381 0.854 20 5 DCBDMO CC(C)(CCC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[N+](=O)[O-] ZINC000862649045 667063098 /nfs/dbraw/zinc/06/30/98/667063098.db2.gz OXIXLRPICHQLHQ-NSHDSACASA-N 1 1 314.386 0.278 20 5 DCBDMO O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000923366281 667517020 /nfs/dbraw/zinc/51/70/20/667517020.db2.gz JHCWCTWJMSWQSA-HZPDHXFCSA-N 1 1 320.393 0.608 20 5 DCBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000886590658 667780409 /nfs/dbraw/zinc/78/04/09/667780409.db2.gz AXNBIHKLFYRNOJ-GFCCVEGCSA-N 1 1 309.370 0.980 20 5 DCBDMO COc1cc[nH+]c(N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000839660623 668129976 /nfs/dbraw/zinc/12/99/76/668129976.db2.gz NNSPTHLCKZCWLN-VXGBXAGGSA-N 1 1 306.322 0.404 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000839704025 668135533 /nfs/dbraw/zinc/13/55/33/668135533.db2.gz RXNMVGKJINTETD-MGPQQGTHSA-N 1 1 311.382 0.755 20 5 DCBDMO Cc1nn(C)c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000874846271 668225885 /nfs/dbraw/zinc/22/58/85/668225885.db2.gz XQYWVTIWQYWREM-GHMZBOCLSA-N 1 1 307.354 0.945 20 5 DCBDMO C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000928556885 668599498 /nfs/dbraw/zinc/59/94/98/668599498.db2.gz CTMMDBCNYMZTRP-HZMBPMFUSA-N 1 1 318.333 0.908 20 5 DCBDMO C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000928556885 668599500 /nfs/dbraw/zinc/59/95/00/668599500.db2.gz CTMMDBCNYMZTRP-HZMBPMFUSA-N 1 1 318.333 0.908 20 5 DCBDMO NC(=O)N1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776581351 668878231 /nfs/dbraw/zinc/87/82/31/668878231.db2.gz HTUWRCYQNANNGS-CYBMUJFWSA-N 1 1 308.338 0.715 20 5 DCBDMO NC(=O)N1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776581351 668878232 /nfs/dbraw/zinc/87/82/32/668878232.db2.gz HTUWRCYQNANNGS-CYBMUJFWSA-N 1 1 308.338 0.715 20 5 DCBDMO C[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000778356409 668898495 /nfs/dbraw/zinc/89/84/95/668898495.db2.gz NLYUMSWQIBKVRF-IUODEOHRSA-N 1 1 309.366 0.627 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000880527780 669226558 /nfs/dbraw/zinc/22/65/58/669226558.db2.gz VBUDQBVXFUQPAR-AAEUAGOBSA-N 1 1 307.354 0.700 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000880527780 669226559 /nfs/dbraw/zinc/22/65/59/669226559.db2.gz VBUDQBVXFUQPAR-AAEUAGOBSA-N 1 1 307.354 0.700 20 5 DCBDMO Nc1ccc(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000808157406 670393553 /nfs/dbraw/zinc/39/35/53/670393553.db2.gz WKTJCWHRKVVIGI-NWDGAFQWSA-N 1 1 320.349 0.458 20 5 DCBDMO COC(=O)[C@]1(OC)CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000859556933 671125954 /nfs/dbraw/zinc/12/59/54/671125954.db2.gz FODLTOWZEXPOGU-ZFWWWQNUSA-N 1 1 324.333 0.892 20 5 DCBDMO COC(=O)[C@@]1(OC)CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000859558940 671126250 /nfs/dbraw/zinc/12/62/50/671126250.db2.gz OBUZUJCZFJMLCQ-UKRRQHHQSA-N 1 1 324.333 0.892 20 5 DCBDMO C[C@H](O)C[N@H+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H](C)C1 ZINC000829911323 671595457 /nfs/dbraw/zinc/59/54/57/671595457.db2.gz VILKAKZONROWLT-RYUDHWBXSA-N 1 1 301.387 0.735 20 5 DCBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000843995356 672132631 /nfs/dbraw/zinc/13/26/31/672132631.db2.gz VPDOUFAKLSRVFQ-OMVNSRBRSA-N 1 1 317.345 0.885 20 5 DCBDMO Cc1ncsc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020139236 693710023 /nfs/dbraw/zinc/71/00/23/693710023.db2.gz VLOCNTITNWMNSW-GWOFURMSSA-N 1 1 310.379 0.854 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(CNC(=O)C(C)(F)F)CC1 ZINC001670738699 1157687021 /nfs/dbraw/zinc/68/70/21/1157687021.db2.gz PVTNEDQPUNPLNA-UHFFFAOYSA-N 1 1 317.296 0.722 20 5 DCBDMO C[C@H]([NH3+])C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001573554703 1163497340 /nfs/dbraw/zinc/49/73/40/1163497340.db2.gz YZMBEDIAQBLWCL-JTQLQIEISA-N 1 1 307.354 0.632 20 5 DCBDMO C[N@H+]1CC[C@@H]1CNC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC001584938902 1166386989 /nfs/dbraw/zinc/38/69/89/1166386989.db2.gz PXLSSSQQBRVXHR-SNVBAGLBSA-N 1 1 320.305 0.323 20 5 DCBDMO C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590213805 1166814873 /nfs/dbraw/zinc/81/48/73/1166814873.db2.gz KMDHRXVATAPRTL-GZMMTYOYSA-N 1 1 304.310 0.730 20 5 DCBDMO C[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590213807 1166815999 /nfs/dbraw/zinc/81/59/99/1166815999.db2.gz KMDHRXVATAPRTL-KWQFWETISA-N 1 1 304.310 0.730 20 5 DCBDMO CC[N@@H+](C)[C@@H]1CCN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001590678440 1166967304 /nfs/dbraw/zinc/96/73/04/1166967304.db2.gz SUXHDVYPBNWOMX-SNVBAGLBSA-N 1 1 318.341 0.700 20 5 DCBDMO Cn1cc[nH+]c1CCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001592585971 1167570831 /nfs/dbraw/zinc/57/08/31/1167570831.db2.gz QZCKCELIPPLPAB-UHFFFAOYSA-N 1 1 315.297 0.558 20 5 DCBDMO Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001626175166 1169595518 /nfs/dbraw/zinc/59/55/18/1169595518.db2.gz RPDOYKXKXLDEGB-VXGBXAGGSA-N 1 1 320.349 0.770 20 5 DCBDMO C[C@@H]1[C@@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC[N@H+]1C ZINC001612939395 1171366683 /nfs/dbraw/zinc/36/66/83/1171366683.db2.gz CHMAUODMQVSLQV-SCZZXKLOSA-N 1 1 314.367 0.747 20 5 DCBDMO C[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C ZINC001620568289 1171403433 /nfs/dbraw/zinc/40/34/33/1171403433.db2.gz FRLHEOZRJHAXNI-GHMZBOCLSA-N 1 1 322.365 0.838 20 5 DCBDMO C[C@@]1(CO)C[C@@H](O)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001654291696 1173803867 /nfs/dbraw/zinc/80/38/67/1173803867.db2.gz ZPRQWNUGSMGGDE-HIFRSBDPSA-N 1 1 323.349 0.741 20 5 DCBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC001659064043 1173928718 /nfs/dbraw/zinc/92/87/18/1173928718.db2.gz IQLCEGHDSKRNNZ-OLZOCXBDSA-N 1 1 324.381 0.143 20 5 DCBDMO C[N@H+](Cc1cccc(=O)[nH]1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001660319399 1173976209 /nfs/dbraw/zinc/97/62/09/1173976209.db2.gz GVBCCJAALIRFBZ-LBPRGKRZSA-N 1 1 307.310 0.385 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N(CCO)CC[NH2+]Cc1ccsc1 ZINC001672621739 1175134115 /nfs/dbraw/zinc/13/41/15/1175134115.db2.gz XFCPAMHFOCJCGL-VXGBXAGGSA-N 1 1 313.379 0.324 20 5 DCBDMO COCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001700106300 1178478179 /nfs/dbraw/zinc/47/81/79/1178478179.db2.gz UWHKYUWLSBKTTD-CHWSQXEVSA-N 1 1 311.382 0.613 20 5 DCBDMO Cc1cccnc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001716292313 1182309682 /nfs/dbraw/zinc/30/96/82/1182309682.db2.gz HKUXQJDJGWWVRY-SDEBIZQBSA-N 1 1 304.350 0.817 20 5 DCBDMO CNC(=O)NCC(=O)NCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001731772563 1185479211 /nfs/dbraw/zinc/47/92/11/1185479211.db2.gz LRZYEISMWWSANT-UHFFFAOYSA-N 1 1 323.353 0.072 20 5 DCBDMO CNC(=O)NCC(=O)NCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001731772563 1185479218 /nfs/dbraw/zinc/47/92/18/1185479218.db2.gz LRZYEISMWWSANT-UHFFFAOYSA-N 1 1 323.353 0.072 20 5 DCBDMO COC(=O)c1ccnc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1[N+](=O)[O-] ZINC000598629627 719399028 /nfs/dbraw/zinc/39/90/28/719399028.db2.gz OGQSEZOTLRCXEX-MNOVXSKESA-N 1 1 322.321 0.296 20 5 DCBDMO CCOc1nc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164669218 719417064 /nfs/dbraw/zinc/41/70/64/719417064.db2.gz LITIGRWHLGCZLQ-NWDGAFQWSA-N 1 1 308.338 0.908 20 5 DCBDMO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ncc([N+](=O)[O-])cc1N ZINC001164923174 721876994 /nfs/dbraw/zinc/87/69/94/721876994.db2.gz JAMXRZABGYKYCQ-ZIAGYGMSSA-N 1 1 320.397 0.787 20 5 DCBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ncc([N+](=O)[O-])cc1N ZINC001164923174 721876997 /nfs/dbraw/zinc/87/69/97/721876997.db2.gz JAMXRZABGYKYCQ-ZIAGYGMSSA-N 1 1 320.397 0.787 20 5 DCBDMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ncc([N+](=O)[O-])cc1N ZINC001164923173 721877073 /nfs/dbraw/zinc/87/70/73/721877073.db2.gz JAMXRZABGYKYCQ-UONOGXRCSA-N 1 1 320.397 0.787 20 5 DCBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ncc([N+](=O)[O-])cc1N ZINC001164923173 721877074 /nfs/dbraw/zinc/87/70/74/721877074.db2.gz JAMXRZABGYKYCQ-UONOGXRCSA-N 1 1 320.397 0.787 20 5 DCBDMO O=C(NCC[NH2+]CCOc1ccc(F)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC001126942629 750154822 /nfs/dbraw/zinc/15/48/22/750154822.db2.gz CRBXDJAIOOEMJG-CHWSQXEVSA-N 1 1 311.313 0.576 20 5 DCBDMO CCc1nocc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086363358 760101443 /nfs/dbraw/zinc/10/14/43/760101443.db2.gz PNBQJHFCHIDNRA-XIDUGBJDSA-N 1 1 322.365 0.887 20 5 DCBDMO CCS(=O)(=O)N1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169040372 760556958 /nfs/dbraw/zinc/55/69/58/760556958.db2.gz ZKIKZBIPVYJOGW-RYUDHWBXSA-N 1 1 305.400 0.399 20 5 DCBDMO C[C@@H](C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)S(C)(=O)=O ZINC001169932685 760926381 /nfs/dbraw/zinc/92/63/81/760926381.db2.gz AGUXTEFQDWODTC-JTQLQIEISA-N 1 1 316.383 0.861 20 5 DCBDMO Cc1nn(C)c(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC001116487216 765875841 /nfs/dbraw/zinc/87/58/41/765875841.db2.gz XMWLQSUMXAWFKX-WDEREUQCSA-N 1 1 307.354 0.993 20 5 DCBDMO Cc1nnc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1C ZINC001118150131 766237090 /nfs/dbraw/zinc/23/70/90/766237090.db2.gz YDHGYMYWAYTRCT-GFCCVEGCSA-N 1 1 321.337 0.561 20 5 DCBDMO Cc1cncc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)c1 ZINC001125190477 768370325 /nfs/dbraw/zinc/37/03/25/768370325.db2.gz KPPFVKCPXMIAJB-UHFFFAOYSA-N 1 1 318.337 0.551 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC001176556419 770124644 /nfs/dbraw/zinc/12/46/44/770124644.db2.gz WVHLZIIITOGDMY-FZMZJTMJSA-N 1 1 307.354 0.687 20 5 DCBDMO O=C(NCCCCCC[NH2+]Cc1ncccn1)[C@@H]1CC1[N+](=O)[O-] ZINC001178458761 770759547 /nfs/dbraw/zinc/75/95/47/770759547.db2.gz WZMNYVLCRNSSDS-CHWSQXEVSA-N 1 1 321.381 0.908 20 5 DCBDMO C[NH+](C)/C=C/c1cc(N2C[C@H](O)C[C@@H]2CO)ncc1[N+](=O)[O-] ZINC001159250885 771884973 /nfs/dbraw/zinc/88/49/73/771884973.db2.gz MEHVVHMUIDTNAJ-BLDJZWNYSA-N 1 1 308.338 0.454 20 5 DCBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001162618416 772398956 /nfs/dbraw/zinc/39/89/56/772398956.db2.gz AXGCRBTTYUATKW-LLVKDONJSA-N 1 1 323.353 0.413 20 5 DCBDMO O=[N+]([O-])c1ccc2ncnc(NC[C@@]3(CO)COCC[NH2+]3)c2c1 ZINC001164046699 772608901 /nfs/dbraw/zinc/60/89/01/772608901.db2.gz PVQXDVVXXFNJIK-CQSZACIVSA-N 1 1 319.321 0.301 20 5 DCBDMO O=[N+]([O-])c1ccc2nc(NC[C@]3(CO)COCC[NH2+]3)sc2c1 ZINC001164047185 772608956 /nfs/dbraw/zinc/60/89/56/772608956.db2.gz YMHGEHPCPMSHJX-ZDUSSCGKSA-N 1 1 324.362 0.967 20 5 DCBDMO COc1nc(N2CCn3c(C)[nH+]cc3C2)nc(OC)c1[N+](=O)[O-] ZINC001165385520 772730908 /nfs/dbraw/zinc/73/09/08/772730908.db2.gz QFBLZOJAEAGKKB-UHFFFAOYSA-N 1 1 320.309 0.927 20 5 DCBDMO CCNC(=O)C(C)(C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001194914882 773281034 /nfs/dbraw/zinc/28/10/34/773281034.db2.gz TYBTZRXKIMXKNJ-UHFFFAOYSA-N 1 1 308.338 0.698 20 5 DCBDMO COc1cccc(C[NH2+]CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001266696512 939213242 /nfs/dbraw/zinc/21/32/42/939213242.db2.gz KYJJXRSUHLCIQB-VXGBXAGGSA-N 1 1 308.338 0.303 20 5 DCBDMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccnc1C ZINC001480973988 939507972 /nfs/dbraw/zinc/50/79/72/939507972.db2.gz CRZRGSPVKFLZQV-ZIAGYGMSSA-N 1 1 306.366 0.993 20 5 DCBDMO CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CCOCC1 ZINC001481136793 939581858 /nfs/dbraw/zinc/58/18/58/939581858.db2.gz PPQWRBXYIYNGPY-ZIAGYGMSSA-N 1 1 313.398 0.906 20 5 DCBDMO CCC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CCOCC1 ZINC001481136793 939581859 /nfs/dbraw/zinc/58/18/59/939581859.db2.gz PPQWRBXYIYNGPY-ZIAGYGMSSA-N 1 1 313.398 0.906 20 5 DCBDMO CCC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CCOCC1 ZINC001481136793 939581860 /nfs/dbraw/zinc/58/18/60/939581860.db2.gz PPQWRBXYIYNGPY-ZIAGYGMSSA-N 1 1 313.398 0.906 20 5 DCBDMO O=C(NCC1([NH2+]Cc2ccc(CO)cc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001483731905 942770419 /nfs/dbraw/zinc/77/04/19/942770419.db2.gz AFKJYTQBGINXSG-ZIAGYGMSSA-N 1 1 319.361 0.583 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001328432098 948893569 /nfs/dbraw/zinc/89/35/69/948893569.db2.gz MWTXVSRXGNMBFD-ZDUSSCGKSA-N 1 1 320.349 0.661 20 5 DCBDMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001333222817 951962905 /nfs/dbraw/zinc/96/29/05/951962905.db2.gz FENDYLXDJLKIQL-CYBMUJFWSA-N 1 1 318.333 0.257 20 5 DCBDMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001333222817 951962909 /nfs/dbraw/zinc/96/29/09/951962909.db2.gz FENDYLXDJLKIQL-CYBMUJFWSA-N 1 1 318.333 0.257 20 5 DCBDMO C[C@@H](c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1C)[N+](=O)[O-] ZINC001338056440 952955793 /nfs/dbraw/zinc/95/57/93/952955793.db2.gz ISBJCLXSDKBLTE-NWDGAFQWSA-N 1 1 324.385 0.311 20 5 DCBDMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001347519066 954110165 /nfs/dbraw/zinc/11/01/65/954110165.db2.gz ZSGVBQIULIQOHI-BXUZGUMPSA-N 1 1 304.350 0.599 20 5 DCBDMO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC001348695585 954431652 /nfs/dbraw/zinc/43/16/52/954431652.db2.gz DXWAHXQOHUPRAT-NSHDSACASA-N 1 1 306.322 0.662 20 5 DCBDMO CC1(C)[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC001300189682 955910705 /nfs/dbraw/zinc/91/07/05/955910705.db2.gz VAJAEFAOZLDTCU-QWRGUYRKSA-N 1 1 323.353 0.547 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(c3nc[nH]n3)CC2)c1 ZINC001354498012 956408679 /nfs/dbraw/zinc/40/86/79/956408679.db2.gz DRWKGWVHSNJAOB-GFCCVEGCSA-N 1 1 321.341 0.150 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[NH+](CC(C)(C)O)CC2)n1 ZINC001292514438 956992891 /nfs/dbraw/zinc/99/28/91/956992891.db2.gz HAQSUICBTMCZAS-UHFFFAOYSA-N 1 1 322.365 0.827 20 5 DCBDMO Cn1cc([N+](=O)[O-])c(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)n1 ZINC001307074370 960139879 /nfs/dbraw/zinc/13/98/79/960139879.db2.gz AWVDHHKBEMKOMX-LLVKDONJSA-N 1 1 322.369 0.247 20 5 DCBDMO COCC[NH+]1CCN(C(=O)Nc2c(C)cncc2[N+](=O)[O-])CC1 ZINC001466094687 1016050836 /nfs/dbraw/zinc/05/08/36/1016050836.db2.gz MUNLREDXYCHHNF-UHFFFAOYSA-N 1 1 323.353 0.516 20 5 DCBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC001466683537 1016099825 /nfs/dbraw/zinc/09/98/25/1016099825.db2.gz SYRPPYHBUTVZRY-OAHLLOKOSA-N 1 1 323.349 0.790 20 5 DCBDMO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1c[nH]nc1[N+](=O)[O-] ZINC001455783712 1009968357 /nfs/dbraw/zinc/96/83/57/1009968357.db2.gz AWOLOAPGBYYBNB-NXEZZACHSA-N 1 1 311.367 0.628 20 5 DCBDMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)c1c[nH]nc1[N+](=O)[O-] ZINC001455783712 1009968374 /nfs/dbraw/zinc/96/83/74/1009968374.db2.gz AWOLOAPGBYYBNB-NXEZZACHSA-N 1 1 311.367 0.628 20 5 DCBDMO CC[N@H+]1C[C@@H](C)N(c2nnc(CCC[N+](=O)[O-])n2C)C[C@H]1C ZINC001519565661 1017218551 /nfs/dbraw/zinc/21/85/51/1017218551.db2.gz CPBZKIRPKWLXES-VXGBXAGGSA-N 1 1 310.402 0.943 20 5 DCBDMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001521286171 1017345878 /nfs/dbraw/zinc/34/58/78/1017345878.db2.gz FCOBAZZBSOKSBS-IUODEOHRSA-N 1 1 318.377 0.642 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCOC2(CCOCC2)C1 ZINC000090552727 185302881 /nfs/dbraw/zinc/30/28/81/185302881.db2.gz AUHCNUCWBXWUSP-UHFFFAOYSA-N 1 1 323.349 0.638 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCOC2(CCOCC2)C1 ZINC000090552727 185302882 /nfs/dbraw/zinc/30/28/82/185302882.db2.gz AUHCNUCWBXWUSP-UHFFFAOYSA-N 1 1 323.349 0.638 20 5 DCBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000372748796 283336828 /nfs/dbraw/zinc/33/68/28/283336828.db2.gz LFQSLHDWIVFYME-QKCSRTOESA-N 1 1 320.349 0.342 20 5 DCBDMO C[N@@H+]1CC=C(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000271866741 209281618 /nfs/dbraw/zinc/28/16/18/209281618.db2.gz JJUODKLILSYDGK-UHFFFAOYSA-N 1 1 318.333 0.911 20 5 DCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000264752920 204129074 /nfs/dbraw/zinc/12/90/74/204129074.db2.gz RMLMBMHGCLYICF-CQSZACIVSA-N 1 1 321.381 0.640 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCSC[C@H]1CCO ZINC000341595443 253399762 /nfs/dbraw/zinc/39/97/62/253399762.db2.gz VEDGVVKYTNXUJW-GFCCVEGCSA-N 1 1 313.379 0.556 20 5 DCBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H](C)C1 ZINC000346154025 254015847 /nfs/dbraw/zinc/01/58/47/254015847.db2.gz ILBAIENOAIZIOQ-YNEHKIRRSA-N 1 1 321.381 0.980 20 5 DCBDMO CN(C)c1cc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc[nH+]1 ZINC000346865584 254105806 /nfs/dbraw/zinc/10/58/06/254105806.db2.gz DCPGWKIVXGZVER-UHFFFAOYSA-N 1 1 317.305 0.856 20 5 DCBDMO C[C@@H]1[C@H](N2CCCC2)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000347305605 254146544 /nfs/dbraw/zinc/14/65/44/254146544.db2.gz LWUZNHBNAYTIJN-VHDGCEQUSA-N 1 1 323.397 0.711 20 5 DCBDMO C[C@@H]1[C@H](N2CCCC2)CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000347305605 254146545 /nfs/dbraw/zinc/14/65/45/254146545.db2.gz LWUZNHBNAYTIJN-VHDGCEQUSA-N 1 1 323.397 0.711 20 5 DCBDMO Cc1cccc(C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000348568898 254245316 /nfs/dbraw/zinc/24/53/16/254245316.db2.gz DZAOXUGVCUOGPS-CQSZACIVSA-N 1 1 305.338 0.988 20 5 DCBDMO C[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351489079 254338821 /nfs/dbraw/zinc/33/88/21/254338821.db2.gz BYOWWIWUVPLVNC-NSHDSACASA-N 1 1 324.312 0.883 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](CCO)C1CCOCC1 ZINC000275472071 130325218 /nfs/dbraw/zinc/32/52/18/130325218.db2.gz CTIKVVGPEGFKBH-UHFFFAOYSA-N 1 1 311.338 0.230 20 5 DCBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@H+]1CC(C)(C)O ZINC000275542969 130332344 /nfs/dbraw/zinc/33/23/44/130332344.db2.gz GZKPETZRLFKAFD-SNVBAGLBSA-N 1 1 310.354 0.840 20 5 DCBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000038758899 395732315 /nfs/dbraw/zinc/73/23/15/395732315.db2.gz IGDMYXIJLLQLCH-UHFFFAOYSA-N 1 1 320.349 0.441 20 5 DCBDMO CC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000118109410 395860126 /nfs/dbraw/zinc/86/01/26/395860126.db2.gz MEHYNJMAPRWFTD-UHFFFAOYSA-N 1 1 308.338 0.910 20 5 DCBDMO COc1ccc(OCC[N@@H+]2CC[C@@H](NC(N)=O)C2)c([N+](=O)[O-])c1 ZINC000270620597 395790764 /nfs/dbraw/zinc/79/07/64/395790764.db2.gz JZDXWTXYCDISSW-SNVBAGLBSA-N 1 1 324.337 0.725 20 5 DCBDMO COc1ccc(OCC[N@H+]2CC[C@@H](NC(N)=O)C2)c([N+](=O)[O-])c1 ZINC000270620597 395790769 /nfs/dbraw/zinc/79/07/69/395790769.db2.gz JZDXWTXYCDISSW-SNVBAGLBSA-N 1 1 324.337 0.725 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000272503930 395895571 /nfs/dbraw/zinc/89/55/71/395895571.db2.gz OBISSYSFQSMJDC-NWDGAFQWSA-N 1 1 307.354 0.652 20 5 DCBDMO C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000157909277 396064111 /nfs/dbraw/zinc/06/41/11/396064111.db2.gz LDQVBLUKSLBFOW-FZMZJTMJSA-N 1 1 323.349 0.809 20 5 DCBDMO C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000157909277 396064115 /nfs/dbraw/zinc/06/41/15/396064115.db2.gz LDQVBLUKSLBFOW-FZMZJTMJSA-N 1 1 323.349 0.809 20 5 DCBDMO COCC[N@@H+](C)CCNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000171127106 396108176 /nfs/dbraw/zinc/10/81/76/396108176.db2.gz YBTGNPUOUQWKQE-UHFFFAOYSA-N 1 1 313.358 0.184 20 5 DCBDMO C[C@H]1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[N@H+]1C1CC1 ZINC000177188899 396168768 /nfs/dbraw/zinc/16/87/68/396168768.db2.gz SBTOMTORYABSDP-QWRGUYRKSA-N 1 1 320.349 0.498 20 5 DCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000076402022 396203322 /nfs/dbraw/zinc/20/33/22/396203322.db2.gz RLXBORVITSDIMB-JTQLQIEISA-N 1 1 323.353 0.240 20 5 DCBDMO COCC[N@H+]1CC[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000264451586 396281313 /nfs/dbraw/zinc/28/13/13/396281313.db2.gz CWUDMGDMOPMNPM-NSHDSACASA-N 1 1 308.338 0.628 20 5 DCBDMO COCCOCC[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000079409639 396264992 /nfs/dbraw/zinc/26/49/92/396264992.db2.gz YGZGKQABSPGYKA-UHFFFAOYSA-N 1 1 310.354 0.775 20 5 DCBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cc(Cl)c1=O)C1CC1 ZINC000290818618 396473246 /nfs/dbraw/zinc/47/32/46/396473246.db2.gz SFAWUHGIJINRNV-SNVBAGLBSA-N 1 1 301.730 0.865 20 5 DCBDMO C[NH+]1CCN(Cc2cn(-c3ccc([N+](=O)[O-])cc3)nn2)CC1 ZINC000594641298 396492436 /nfs/dbraw/zinc/49/24/36/396492436.db2.gz XETSUEWGJHFWHV-UHFFFAOYSA-N 1 1 302.338 0.923 20 5 DCBDMO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000372748792 396543751 /nfs/dbraw/zinc/54/37/51/396543751.db2.gz LFQSLHDWIVFYME-JKOKRWQUSA-N 1 1 320.349 0.342 20 5 DCBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3[nH]nc(C)c3[N+](=O)[O-])[C@H]2C1 ZINC000294012712 396648436 /nfs/dbraw/zinc/64/84/36/396648436.db2.gz YOIHBXHHSXGJHE-WDEREUQCSA-N 1 1 323.353 0.562 20 5 DCBDMO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3n[nH]c(C)c3[N+](=O)[O-])[C@H]2C1 ZINC000294012712 396648440 /nfs/dbraw/zinc/64/84/40/396648440.db2.gz YOIHBXHHSXGJHE-WDEREUQCSA-N 1 1 323.353 0.562 20 5 DCBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3n[nH]c(C)c3[N+](=O)[O-])[C@H]2C1 ZINC000294012712 396648443 /nfs/dbraw/zinc/64/84/43/396648443.db2.gz YOIHBXHHSXGJHE-WDEREUQCSA-N 1 1 323.353 0.562 20 5 DCBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596120485 396719915 /nfs/dbraw/zinc/71/99/15/396719915.db2.gz HNAPVMHTRRZCEU-NSHDSACASA-N 1 1 307.354 0.351 20 5 DCBDMO CN1CCN(C)[C@@H](CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596120485 396719917 /nfs/dbraw/zinc/71/99/17/396719917.db2.gz HNAPVMHTRRZCEU-NSHDSACASA-N 1 1 307.354 0.351 20 5 DCBDMO C[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CC[N@H+]1CC(C)(C)O ZINC000596222839 396736547 /nfs/dbraw/zinc/73/65/47/396736547.db2.gz NMUPFRHZVKYTEL-SNVBAGLBSA-N 1 1 309.370 0.853 20 5 DCBDMO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc(N)c([N+](=O)[O-])n1 ZINC000596231447 396739159 /nfs/dbraw/zinc/73/91/59/396739159.db2.gz IYDNTPBPLBMREY-QWRGUYRKSA-N 1 1 307.354 0.871 20 5 DCBDMO O=c1[nH]ccc(N2CCC[C@@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000596247996 396744254 /nfs/dbraw/zinc/74/42/54/396744254.db2.gz VBMLAMCKVOAVJU-LLVKDONJSA-N 1 1 308.338 0.996 20 5 DCBDMO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1C[N@H+]2CCN1CCC2 ZINC000611200841 396834223 /nfs/dbraw/zinc/83/42/23/396834223.db2.gz DOQRTNCRRIMROD-CQSZACIVSA-N 1 1 304.350 0.601 20 5 DCBDMO CCc1ccc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000600537218 396887086 /nfs/dbraw/zinc/88/70/86/396887086.db2.gz ZXSLLYBGIIIOEX-CYBMUJFWSA-N 1 1 307.350 0.954 20 5 DCBDMO O=C(CCc1cccc([N+](=O)[O-])c1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000600807462 396945879 /nfs/dbraw/zinc/94/58/79/396945879.db2.gz DSPXEDGYSAJETQ-AWEZNQCLSA-N 1 1 307.350 0.710 20 5 DCBDMO CCc1ccc(C(=O)NCC[N@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000600809517 396947249 /nfs/dbraw/zinc/94/72/49/396947249.db2.gz ZXSLLYBGIIIOEX-ZDUSSCGKSA-N 1 1 307.350 0.954 20 5 DCBDMO C[C@H](C(=O)NCC[N@H+]1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000600808814 396948248 /nfs/dbraw/zinc/94/82/48/396948248.db2.gz RVPPECYJEDCHNA-FZMZJTMJSA-N 1 1 307.350 0.881 20 5 DCBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCN3CC(F)(F)C[C@H]3C2)n1 ZINC000592131406 397101452 /nfs/dbraw/zinc/10/14/52/397101452.db2.gz WJRDNQDCPQTOCH-JTQLQIEISA-N 1 1 301.297 0.817 20 5 DCBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000597855572 397123570 /nfs/dbraw/zinc/12/35/70/397123570.db2.gz SUQHMCSJQPZBMA-JTQLQIEISA-N 1 1 310.358 0.423 20 5 DCBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593182596 397335716 /nfs/dbraw/zinc/33/57/16/397335716.db2.gz WCHZJVPXDHXLJF-CYBMUJFWSA-N 1 1 306.322 0.878 20 5 DCBDMO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593182596 397335723 /nfs/dbraw/zinc/33/57/23/397335723.db2.gz WCHZJVPXDHXLJF-CYBMUJFWSA-N 1 1 306.322 0.878 20 5 DCBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000593854863 397456263 /nfs/dbraw/zinc/45/62/63/397456263.db2.gz LLPMMLDMMPKKRD-LLVKDONJSA-N 1 1 321.333 0.494 20 5 DCBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC000593854863 397456265 /nfs/dbraw/zinc/45/62/65/397456265.db2.gz LLPMMLDMMPKKRD-LLVKDONJSA-N 1 1 321.333 0.494 20 5 DCBDMO O=C(Cc1ccccc1[N+](=O)[O-])N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593856005 397457899 /nfs/dbraw/zinc/45/78/99/397457899.db2.gz UGCNEJVWHKCQEL-CYBMUJFWSA-N 1 1 305.334 0.415 20 5 DCBDMO O=C(Cc1ccccc1[N+](=O)[O-])N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593856005 397457902 /nfs/dbraw/zinc/45/79/02/397457902.db2.gz UGCNEJVWHKCQEL-CYBMUJFWSA-N 1 1 305.334 0.415 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000602799856 397488652 /nfs/dbraw/zinc/48/86/52/397488652.db2.gz QGCWPRQTIOILRK-LBPRGKRZSA-N 1 1 307.354 0.796 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000599939266 397545469 /nfs/dbraw/zinc/54/54/69/397545469.db2.gz UQVDETFDWKDDJY-JQWIXIFHSA-N 1 1 308.338 0.214 20 5 DCBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000603486462 397614058 /nfs/dbraw/zinc/61/40/58/397614058.db2.gz ZSDGFMYCVIROOY-CYBMUJFWSA-N 1 1 323.353 0.115 20 5 DCBDMO Cc1nn(C)c(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000609412960 397774583 /nfs/dbraw/zinc/77/45/83/397774583.db2.gz JCKLDZGZNOKUDR-JTQLQIEISA-N 1 1 307.354 0.851 20 5 DCBDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000609881549 397795243 /nfs/dbraw/zinc/79/52/43/397795243.db2.gz WMFOESSASPDKOY-RYUDHWBXSA-N 1 1 319.365 0.954 20 5 DCBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000123691407 158232936 /nfs/dbraw/zinc/23/29/36/158232936.db2.gz ZBEQTFGLGXFGHX-LLVKDONJSA-N 1 1 310.358 0.567 20 5 DCBDMO C[N@@H+](C[C@@H](O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)C1CC1 ZINC000324249442 159013101 /nfs/dbraw/zinc/01/31/01/159013101.db2.gz KBKOUSATVPCJRR-GFCCVEGCSA-N 1 1 318.333 0.760 20 5 DCBDMO C[C@@H](O)C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](C)CO ZINC000248934236 287103826 /nfs/dbraw/zinc/10/38/26/287103826.db2.gz MYWQEMXQBCABKV-NXEZZACHSA-N 1 1 311.338 0.257 20 5 DCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000268055732 415153060 /nfs/dbraw/zinc/15/30/60/415153060.db2.gz SRNDQMFVAMLWOF-OAHLLOKOSA-N 1 1 320.393 0.889 20 5 DCBDMO Cc1nn(C)c(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000268189736 415172213 /nfs/dbraw/zinc/17/22/13/415172213.db2.gz MVNJQPPWAJUJEL-KWQFWETISA-N 1 1 307.354 0.849 20 5 DCBDMO C[NH+](C)C1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000272073898 415275459 /nfs/dbraw/zinc/27/54/59/415275459.db2.gz GBGVFTYEDWDELL-UHFFFAOYSA-N 1 1 313.379 0.713 20 5 DCBDMO Cc1c(NC(=O)CC[N@H+](C)[C@H]2COC[C@H]2O)cccc1[N+](=O)[O-] ZINC000352820526 415338260 /nfs/dbraw/zinc/33/82/60/415338260.db2.gz YXZAFDBSSAJBGB-UONOGXRCSA-N 1 1 323.349 0.923 20 5 DCBDMO C[NH+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352922505 415368330 /nfs/dbraw/zinc/36/83/30/415368330.db2.gz AHEMUZNASCCHDU-RLCAUIQDSA-N 1 1 323.397 0.709 20 5 DCBDMO C[NH+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352922505 415368344 /nfs/dbraw/zinc/36/83/44/415368344.db2.gz AHEMUZNASCCHDU-RLCAUIQDSA-N 1 1 323.397 0.709 20 5 DCBDMO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000352922505 415368352 /nfs/dbraw/zinc/36/83/52/415368352.db2.gz AHEMUZNASCCHDU-RLCAUIQDSA-N 1 1 323.397 0.709 20 5 DCBDMO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000352922505 415368359 /nfs/dbraw/zinc/36/83/59/415368359.db2.gz AHEMUZNASCCHDU-RLCAUIQDSA-N 1 1 323.397 0.709 20 5 DCBDMO C[NH+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352922506 415370720 /nfs/dbraw/zinc/37/07/20/415370720.db2.gz AHEMUZNASCCHDU-YOOVYSLHSA-N 1 1 323.397 0.709 20 5 DCBDMO C[NH+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352922506 415370728 /nfs/dbraw/zinc/37/07/28/415370728.db2.gz AHEMUZNASCCHDU-YOOVYSLHSA-N 1 1 323.397 0.709 20 5 DCBDMO CN1[C@@H]2CC[C@H]1CC([N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000352922506 415370735 /nfs/dbraw/zinc/37/07/35/415370735.db2.gz AHEMUZNASCCHDU-YOOVYSLHSA-N 1 1 323.397 0.709 20 5 DCBDMO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000352922506 415370744 /nfs/dbraw/zinc/37/07/44/415370744.db2.gz AHEMUZNASCCHDU-YOOVYSLHSA-N 1 1 323.397 0.709 20 5 DCBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000281585983 415555343 /nfs/dbraw/zinc/55/53/43/415555343.db2.gz MVZCNAGGVIAACF-UWVGGRQHSA-N 1 1 324.337 0.223 20 5 DCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C1CC(O)C1 ZINC000353488419 415567929 /nfs/dbraw/zinc/56/79/29/415567929.db2.gz GYGROLHBGQWFIT-UHFFFAOYSA-N 1 1 309.322 0.997 20 5 DCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C1CC(O)C1 ZINC000353488419 415567933 /nfs/dbraw/zinc/56/79/33/415567933.db2.gz GYGROLHBGQWFIT-UHFFFAOYSA-N 1 1 309.322 0.997 20 5 DCBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[NH2+]CC1(F)F ZINC000343875716 415763740 /nfs/dbraw/zinc/76/37/40/415763740.db2.gz NWDZFIOVXXWJEC-VIFPVBQESA-N 1 1 303.269 0.152 20 5 DCBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000121182365 415797462 /nfs/dbraw/zinc/79/74/62/415797462.db2.gz FPJBDNORXHCRKP-YPMHNXCESA-N 1 1 309.370 0.980 20 5 DCBDMO C[N@@H+]1CCO[C@@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000344215969 415868634 /nfs/dbraw/zinc/86/86/34/415868634.db2.gz IESVLYMOBNWGPD-CYBMUJFWSA-N 1 1 308.338 0.454 20 5 DCBDMO C[N@H+]1CCO[C@@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000344215969 415868640 /nfs/dbraw/zinc/86/86/40/415868640.db2.gz IESVLYMOBNWGPD-CYBMUJFWSA-N 1 1 308.338 0.454 20 5 DCBDMO C[NH+](C)[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccco1 ZINC000336908156 415857413 /nfs/dbraw/zinc/85/74/13/415857413.db2.gz ZOJFPNTXRMTVRP-VIFPVBQESA-N 1 1 308.298 0.198 20 5 DCBDMO CO[C@@H]1C[C@@H](CN(C)C(=O)c2cc([N+](=O)[O-])nn2C)[N@@H+](C)C1 ZINC000344510024 415934353 /nfs/dbraw/zinc/93/43/53/415934353.db2.gz KNIXUPFPQWYYMX-VHSXEESVSA-N 1 1 311.342 0.119 20 5 DCBDMO CNC(=O)CC[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000171759097 416041299 /nfs/dbraw/zinc/04/12/99/416041299.db2.gz UPPQVTPJIPKSTC-ZDUSSCGKSA-N 1 1 320.349 0.768 20 5 DCBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](CCO)CC1 ZINC000301098617 416074978 /nfs/dbraw/zinc/07/49/78/416074978.db2.gz KIOBNKAPBRIVAZ-UHFFFAOYSA-N 1 1 308.338 0.069 20 5 DCBDMO C[N@H+]1CCCC[C@H]1CCn1cc([N+](=O)[O-])cc(C(N)=O)c1=O ZINC000298523876 416013592 /nfs/dbraw/zinc/01/35/92/416013592.db2.gz VINSZRSEFFSKDX-JTQLQIEISA-N 1 1 308.338 0.730 20 5 DCBDMO CNC(=O)CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000170792150 416032302 /nfs/dbraw/zinc/03/23/02/416032302.db2.gz QUWZHBBLNUCHJM-SNVBAGLBSA-N 1 1 308.338 0.990 20 5 DCBDMO CNC(=O)CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000170792150 416032304 /nfs/dbraw/zinc/03/23/04/416032304.db2.gz QUWZHBBLNUCHJM-SNVBAGLBSA-N 1 1 308.338 0.990 20 5 DCBDMO CCCc1n[nH]c(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000358046982 416177023 /nfs/dbraw/zinc/17/70/23/416177023.db2.gz LFIIZOQNLSPIAR-CYBMUJFWSA-N 1 1 311.342 0.067 20 5 DCBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000345986083 416180551 /nfs/dbraw/zinc/18/05/51/416180551.db2.gz PEQJJIJAYUHTAK-NWDGAFQWSA-N 1 1 322.365 0.698 20 5 DCBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000345986083 416180554 /nfs/dbraw/zinc/18/05/54/416180554.db2.gz PEQJJIJAYUHTAK-NWDGAFQWSA-N 1 1 322.365 0.698 20 5 DCBDMO C[C@@H]1C[N@@H+](C)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000330662387 416225608 /nfs/dbraw/zinc/22/56/08/416225608.db2.gz DHJVDCBGBWIHCE-OCCSQVGLSA-N 1 1 309.366 0.970 20 5 DCBDMO C[C@@H]1CN(C)CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000330662387 416225610 /nfs/dbraw/zinc/22/56/10/416225610.db2.gz DHJVDCBGBWIHCE-OCCSQVGLSA-N 1 1 309.366 0.970 20 5 DCBDMO C[C@@H]1CN(C)CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000330662387 416225611 /nfs/dbraw/zinc/22/56/11/416225611.db2.gz DHJVDCBGBWIHCE-OCCSQVGLSA-N 1 1 309.366 0.970 20 5 DCBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1c([N+](=O)[O-])ncn1C ZINC000331296704 416304928 /nfs/dbraw/zinc/30/49/28/416304928.db2.gz OAQGKSDTAUXSDJ-LLVKDONJSA-N 1 1 311.386 0.605 20 5 DCBDMO C[N@@H+](CCO)C1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000342226476 416297697 /nfs/dbraw/zinc/29/76/97/416297697.db2.gz OULMNIAGUBBNEF-UHFFFAOYSA-N 1 1 322.365 0.587 20 5 DCBDMO Cc1n[nH]c(C(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)c1[N+](=O)[O-] ZINC000261722334 416335561 /nfs/dbraw/zinc/33/55/61/416335561.db2.gz LRHMSKCXYZOPRF-SECBINFHSA-N 1 1 319.325 0.147 20 5 DCBDMO Cc1[nH]nc(C(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)c1[N+](=O)[O-] ZINC000261722334 416335562 /nfs/dbraw/zinc/33/55/62/416335562.db2.gz LRHMSKCXYZOPRF-SECBINFHSA-N 1 1 319.325 0.147 20 5 DCBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000583450382 416467912 /nfs/dbraw/zinc/46/79/12/416467912.db2.gz ONZVMSZXKNPHFK-JTQLQIEISA-N 1 1 307.354 1.198 20 5 DCBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000583450382 416467918 /nfs/dbraw/zinc/46/79/18/416467918.db2.gz ONZVMSZXKNPHFK-JTQLQIEISA-N 1 1 307.354 1.198 20 5 DCBDMO CNc1nccc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000582190032 416448674 /nfs/dbraw/zinc/44/86/74/416448674.db2.gz IFWGGBBQAQNSLP-JTQLQIEISA-N 1 1 319.365 1.246 20 5 DCBDMO CNc1nccc(C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000594370432 416559730 /nfs/dbraw/zinc/55/97/30/416559730.db2.gz LXMRAKSIZKKBDD-GXSJLCMTSA-N 1 1 305.338 0.808 20 5 DCBDMO CNc1nccc(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000584359493 416513584 /nfs/dbraw/zinc/51/35/84/416513584.db2.gz DTIHNWZZNWMTFZ-UWVGGRQHSA-N 1 1 319.365 1.387 20 5 DCBDMO CCn1cnnc1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000516275700 416718764 /nfs/dbraw/zinc/71/87/64/416718764.db2.gz YTQYTGPOKOPTES-GFCCVEGCSA-N 1 1 321.337 0.736 20 5 DCBDMO COC(=O)c1cc(OCc2noc(C[NH3+])n2)ccc1[N+](=O)[O-] ZINC000517137407 416783394 /nfs/dbraw/zinc/78/33/94/416783394.db2.gz IXGZZQGZOFQFKP-UHFFFAOYSA-N 1 1 308.250 0.802 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000520396787 416959642 /nfs/dbraw/zinc/95/96/42/416959642.db2.gz LYHKYILAXJRTMN-SWLSCSKDSA-N 1 1 323.397 0.759 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000520396787 416959651 /nfs/dbraw/zinc/95/96/51/416959651.db2.gz LYHKYILAXJRTMN-SWLSCSKDSA-N 1 1 323.397 0.759 20 5 DCBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[NH2+]Cc2ccccc21 ZINC000428895826 416931195 /nfs/dbraw/zinc/93/11/95/416931195.db2.gz JOTQDCXNKXLROH-UHFFFAOYSA-N 1 1 302.294 0.323 20 5 DCBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@@H](C)C1 ZINC000527253264 417229837 /nfs/dbraw/zinc/22/98/37/417229837.db2.gz KHDHVFSLFGRYAY-WDEREUQCSA-N 1 1 310.354 0.460 20 5 DCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@@H](C)C1 ZINC000527253264 417229844 /nfs/dbraw/zinc/22/98/44/417229844.db2.gz KHDHVFSLFGRYAY-WDEREUQCSA-N 1 1 310.354 0.460 20 5 DCBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@@H](C)C1 ZINC000527253263 417230583 /nfs/dbraw/zinc/23/05/83/417230583.db2.gz KHDHVFSLFGRYAY-QWRGUYRKSA-N 1 1 310.354 0.460 20 5 DCBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@@H](C)C1 ZINC000527253263 417230587 /nfs/dbraw/zinc/23/05/87/417230587.db2.gz KHDHVFSLFGRYAY-QWRGUYRKSA-N 1 1 310.354 0.460 20 5 DCBDMO COC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@H+](C)C1 ZINC000413922883 417250971 /nfs/dbraw/zinc/25/09/71/417250971.db2.gz QHHSGYTUDGEKON-VIFPVBQESA-N 1 1 311.294 0.365 20 5 DCBDMO COC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@@H+](C)C1 ZINC000413922883 417250978 /nfs/dbraw/zinc/25/09/78/417250978.db2.gz QHHSGYTUDGEKON-VIFPVBQESA-N 1 1 311.294 0.365 20 5 DCBDMO Nc1c(C(=O)NC[C@H]2CCC[N@H+]2CCCO)cccc1[N+](=O)[O-] ZINC000452373195 417476201 /nfs/dbraw/zinc/47/62/01/417476201.db2.gz VNHBLEIWJZMNHQ-LLVKDONJSA-N 1 1 322.365 0.754 20 5 DCBDMO CC1(C)CCC[N@H+]1CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000457081301 417685901 /nfs/dbraw/zinc/68/59/01/417685901.db2.gz VHWLYSRNHUZLMQ-UHFFFAOYSA-N 1 1 322.365 0.747 20 5 DCBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])nn3C)[C@@H]2C1 ZINC000355317041 261330611 /nfs/dbraw/zinc/33/06/11/261330611.db2.gz KFTXCWBLBXEFOP-VXGBXAGGSA-N 1 1 323.353 0.264 20 5 DCBDMO CCOCC[N@H+]1CCN(Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1C ZINC000355941077 261377964 /nfs/dbraw/zinc/37/79/64/261377964.db2.gz YTQHDJHLXZWKJC-LBPRGKRZSA-N 1 1 311.386 0.871 20 5 DCBDMO COC(=O)[C@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)CC[N@H+](C)C1 ZINC000413494700 262214405 /nfs/dbraw/zinc/21/44/05/262214405.db2.gz HUVDCRTZNRJQBI-SNVBAGLBSA-N 1 1 309.326 0.234 20 5 DCBDMO COC(=O)[C@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)CC[N@@H+](C)C1 ZINC000413494700 262214406 /nfs/dbraw/zinc/21/44/06/262214406.db2.gz HUVDCRTZNRJQBI-SNVBAGLBSA-N 1 1 309.326 0.234 20 5 DCBDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000359630694 271135147 /nfs/dbraw/zinc/13/51/47/271135147.db2.gz FXDHTGNUKJYXQY-CQSZACIVSA-N 1 1 321.333 0.646 20 5 DCBDMO C[N@H+]1CCO[C@@H](C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000359630694 271135152 /nfs/dbraw/zinc/13/51/52/271135152.db2.gz FXDHTGNUKJYXQY-CQSZACIVSA-N 1 1 321.333 0.646 20 5 DCBDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000367602255 274387610 /nfs/dbraw/zinc/38/76/10/274387610.db2.gz SCYXXLCLWYHLDK-VXGBXAGGSA-N 1 1 309.370 0.623 20 5 DCBDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000367602255 274387611 /nfs/dbraw/zinc/38/76/11/274387611.db2.gz SCYXXLCLWYHLDK-VXGBXAGGSA-N 1 1 309.370 0.623 20 5 DCBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[NH+](C)CC1 ZINC000330822413 280198648 /nfs/dbraw/zinc/19/86/48/280198648.db2.gz NTIZLUQTUDZCEV-LLVKDONJSA-N 1 1 324.385 0.601 20 5 DCBDMO COCC[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000183460633 333185160 /nfs/dbraw/zinc/18/51/60/333185160.db2.gz NWRMXVXYPCRQRO-UHFFFAOYSA-N 1 1 311.342 0.270 20 5 DCBDMO Cc1nc(N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000294888419 534443949 /nfs/dbraw/zinc/44/39/49/534443949.db2.gz GCKZRWHXYCUVSW-JTQLQIEISA-N 1 1 309.370 0.975 20 5 DCBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000249127885 524505720 /nfs/dbraw/zinc/50/57/20/524505720.db2.gz XPLYIQFYZIYRBJ-ZYHUDNBSSA-N 1 1 300.384 0.980 20 5 DCBDMO C[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000188665873 524885267 /nfs/dbraw/zinc/88/52/67/524885267.db2.gz DFSAWTYRJVVMAU-SECBINFHSA-N 1 1 311.342 0.235 20 5 DCBDMO C[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000188665873 524885277 /nfs/dbraw/zinc/88/52/77/524885277.db2.gz DFSAWTYRJVVMAU-SECBINFHSA-N 1 1 311.342 0.235 20 5 DCBDMO C[C@H](O)C[NH+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000189710338 525753730 /nfs/dbraw/zinc/75/37/30/525753730.db2.gz YZDBYJYJKAGCBD-LBPRGKRZSA-N 1 1 323.349 0.499 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000266900109 527416443 /nfs/dbraw/zinc/41/64/43/527416443.db2.gz GIWUYIDPHPDPNI-WCQYABFASA-N 1 1 320.353 0.755 20 5 DCBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425047946 536487807 /nfs/dbraw/zinc/48/78/07/536487807.db2.gz ASWANZVOGPYPKT-NWDGAFQWSA-N 1 1 320.349 0.309 20 5 DCBDMO C[N@H+]1CC[C@@H](CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821622027 606707089 /nfs/dbraw/zinc/70/70/89/606707089.db2.gz PGJUTIHHUUQVSU-QMMMGPOBSA-N 1 1 304.314 0.534 20 5 DCBDMO NC(=O)CC(=O)N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000980872590 661033220 /nfs/dbraw/zinc/03/32/20/661033220.db2.gz LXDHHPASVAHKEU-UHFFFAOYSA-N 1 1 320.349 0.505 20 5 DCBDMO NC(=O)CC(=O)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000980872590 661033222 /nfs/dbraw/zinc/03/32/22/661033222.db2.gz LXDHHPASVAHKEU-UHFFFAOYSA-N 1 1 320.349 0.505 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000888996994 658140514 /nfs/dbraw/zinc/14/05/14/658140514.db2.gz OSBLNWDYTSRDNI-UHFFFAOYSA-N 1 1 309.370 0.253 20 5 DCBDMO Cc1noc(CN2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC000934271280 658264864 /nfs/dbraw/zinc/26/48/64/658264864.db2.gz GFEPIFBPIWPTSO-RYUDHWBXSA-N 1 1 310.354 0.922 20 5 DCBDMO CCc1[nH]nc(C(=O)N2CCN(C)CCN(C)CC2)c1[N+](=O)[O-] ZINC000888992248 659519884 /nfs/dbraw/zinc/51/98/84/659519884.db2.gz CPQYQLDJMAQYFU-UHFFFAOYSA-N 1 1 324.385 0.200 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCC(F)(F)F)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775981 659556961 /nfs/dbraw/zinc/55/69/61/659556961.db2.gz SLWRVMVZWAIRBE-SPFKKGSWSA-N 1 1 307.272 0.650 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@H+](CCC(F)(F)F)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775981 659556967 /nfs/dbraw/zinc/55/69/67/659556967.db2.gz SLWRVMVZWAIRBE-SPFKKGSWSA-N 1 1 307.272 0.650 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCC(F)(F)F)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775981 659556973 /nfs/dbraw/zinc/55/69/73/659556973.db2.gz SLWRVMVZWAIRBE-SPFKKGSWSA-N 1 1 307.272 0.650 20 5 DCBDMO COc1cc(CN2CC[N@H+](C)[C@@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000931401476 659652698 /nfs/dbraw/zinc/65/26/98/659652698.db2.gz KOXRLLATPDQBMY-LLVKDONJSA-N 1 1 313.329 0.851 20 5 DCBDMO COc1cc(CN2CC[N@@H+](C)[C@@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000931401476 659652702 /nfs/dbraw/zinc/65/27/02/659652702.db2.gz KOXRLLATPDQBMY-LLVKDONJSA-N 1 1 313.329 0.851 20 5 DCBDMO CC1([NH2+]Cc2ccon2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000940107660 665701522 /nfs/dbraw/zinc/70/15/22/665701522.db2.gz MRCATEZMJFBHQU-VXGBXAGGSA-N 1 1 308.338 0.811 20 5 DCBDMO Cn1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC000983649146 661996901 /nfs/dbraw/zinc/99/69/01/661996901.db2.gz ONLJVAAWAZOYEF-OJAKKHQRSA-N 1 1 307.354 0.070 20 5 DCBDMO Cc1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)co1 ZINC000983655729 662001062 /nfs/dbraw/zinc/00/10/62/662001062.db2.gz UYRDUTHOPJUPGB-FPQZTECRSA-N 1 1 308.338 0.633 20 5 DCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCOCC1 ZINC001029304663 662097977 /nfs/dbraw/zinc/09/79/77/662097977.db2.gz FNZVLOLZZYKPTJ-LXTVHRRPSA-N 1 1 323.393 0.753 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCOCC1 ZINC001029304663 662097978 /nfs/dbraw/zinc/09/79/78/662097978.db2.gz FNZVLOLZZYKPTJ-LXTVHRRPSA-N 1 1 323.393 0.753 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCOCC1 ZINC001029304663 662097979 /nfs/dbraw/zinc/09/79/79/662097979.db2.gz FNZVLOLZZYKPTJ-LXTVHRRPSA-N 1 1 323.393 0.753 20 5 DCBDMO C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1CN(C)CC[N@@H+]1C ZINC000896539480 662284511 /nfs/dbraw/zinc/28/45/11/662284511.db2.gz PCNIIYVTFVROCO-VXGBXAGGSA-N 1 1 300.403 0.572 20 5 DCBDMO C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1CN(C)CC[N@H+]1C ZINC000896539480 662284512 /nfs/dbraw/zinc/28/45/12/662284512.db2.gz PCNIIYVTFVROCO-VXGBXAGGSA-N 1 1 300.403 0.572 20 5 DCBDMO C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000896539480 662284509 /nfs/dbraw/zinc/28/45/09/662284509.db2.gz PCNIIYVTFVROCO-VXGBXAGGSA-N 1 1 300.403 0.572 20 5 DCBDMO O=C(NCC1=CC[N@@H+](Cc2ccccn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000672526 665914331 /nfs/dbraw/zinc/91/43/31/665914331.db2.gz XYNUOXKLXDOIEN-HUUCEWRRSA-N 1 1 316.361 0.995 20 5 DCBDMO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCN1C ZINC000900804465 663281854 /nfs/dbraw/zinc/28/18/54/663281854.db2.gz MWYCTIKINDYQGF-SWLSCSKDSA-N 1 1 320.393 0.888 20 5 DCBDMO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CN(C)CC[N@@H+]1C ZINC000900804465 663281857 /nfs/dbraw/zinc/28/18/57/663281857.db2.gz MWYCTIKINDYQGF-SWLSCSKDSA-N 1 1 320.393 0.888 20 5 DCBDMO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CN(C)CC[N@H+]1C ZINC000900804465 663281860 /nfs/dbraw/zinc/28/18/60/663281860.db2.gz MWYCTIKINDYQGF-SWLSCSKDSA-N 1 1 320.393 0.888 20 5 DCBDMO Cc1nn(CN2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c(C)c1[N+](=O)[O-] ZINC000902645771 663425594 /nfs/dbraw/zinc/42/55/94/663425594.db2.gz YGWKIYSEGOOQDL-ZIAGYGMSSA-N 1 1 323.397 0.897 20 5 DCBDMO COc1cc(CN2CCNCC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000904398421 663513194 /nfs/dbraw/zinc/51/31/94/663513194.db2.gz OYTVAJONKPNGBB-UHFFFAOYSA-N 1 1 324.381 0.607 20 5 DCBDMO Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)ncn1 ZINC000996429185 666790661 /nfs/dbraw/zinc/79/06/61/666790661.db2.gz LHTPHIVFKJJOBE-ZIAGYGMSSA-N 1 1 319.365 0.531 20 5 DCBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000863326836 667130460 /nfs/dbraw/zinc/13/04/60/667130460.db2.gz SWFYOYDJMBNQKB-GFCCVEGCSA-N 1 1 324.293 0.299 20 5 DCBDMO CCn1ncc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000863561673 667157892 /nfs/dbraw/zinc/15/78/92/667157892.db2.gz FEURMGRGJDAPRH-LBPRGKRZSA-N 1 1 321.337 0.736 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000866215211 667368606 /nfs/dbraw/zinc/36/86/06/667368606.db2.gz WFYFLXIKXDZLBT-UHFFFAOYSA-N 1 1 308.386 0.545 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000923415171 667530594 /nfs/dbraw/zinc/53/05/94/667530594.db2.gz QLYYKJGUPVXDJZ-IACUBPJLSA-N 1 1 309.370 0.226 20 5 DCBDMO O=C(CCN1CCNCC[NH2+]CC1)Nc1ccccc1[N+](=O)[O-] ZINC000923462856 667538804 /nfs/dbraw/zinc/53/88/04/667538804.db2.gz BWMMEMPSMJYDMD-UHFFFAOYSA-N 1 1 321.381 0.418 20 5 DCBDMO O=C(CC[NH+]1CCOCC1)NCCc1ccccc1[N+](=O)[O-] ZINC000742133057 667781072 /nfs/dbraw/zinc/78/10/72/667781072.db2.gz GBZMOIDOSQHJPB-UHFFFAOYSA-N 1 1 307.350 0.976 20 5 DCBDMO C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)NCc1ccco1 ZINC000746654815 667884924 /nfs/dbraw/zinc/88/49/24/667884924.db2.gz RNFQQSAGBYWBGP-UHFFFAOYSA-N 1 1 307.310 0.633 20 5 DCBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)NCc1ccco1 ZINC000746654815 667884927 /nfs/dbraw/zinc/88/49/27/667884927.db2.gz RNFQQSAGBYWBGP-UHFFFAOYSA-N 1 1 307.310 0.633 20 5 DCBDMO O=C(CCn1cc([N+](=O)[O-])cn1)OCCC[NH+]1CCOCC1 ZINC000750883056 667989803 /nfs/dbraw/zinc/98/98/03/667989803.db2.gz DODMQNDTHNJJPO-UHFFFAOYSA-N 1 1 312.326 0.447 20 5 DCBDMO C[NH+](C)CCCOc1cnccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839772265 668141076 /nfs/dbraw/zinc/14/10/76/668141076.db2.gz AZCKJGQTSORYNA-CHWSQXEVSA-N 1 1 322.365 0.694 20 5 DCBDMO O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000925309527 668294685 /nfs/dbraw/zinc/29/46/85/668294685.db2.gz FVNXSQPANHNKBG-ZDUSSCGKSA-N 1 1 305.334 0.980 20 5 DCBDMO CCOC(=O)[C@@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC12COC2 ZINC000877558024 668628238 /nfs/dbraw/zinc/62/82/38/668628238.db2.gz UMBMASYPZNCYKZ-NSHDSACASA-N 1 1 324.337 0.340 20 5 DCBDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CC12COC2 ZINC000877558024 668628244 /nfs/dbraw/zinc/62/82/44/668628244.db2.gz UMBMASYPZNCYKZ-NSHDSACASA-N 1 1 324.337 0.340 20 5 DCBDMO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000777564992 668888994 /nfs/dbraw/zinc/88/89/94/668888994.db2.gz COPIIBGFIFPJED-QMMMGPOBSA-N 1 1 321.259 0.749 20 5 DCBDMO O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000777564992 668888995 /nfs/dbraw/zinc/88/89/95/668888995.db2.gz COPIIBGFIFPJED-QMMMGPOBSA-N 1 1 321.259 0.749 20 5 DCBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535620 669059551 /nfs/dbraw/zinc/05/95/51/669059551.db2.gz PYFDHQQHPLFXEC-TXEJJXNPSA-N 1 1 319.317 0.650 20 5 DCBDMO Cn1cc(CN2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c([N+](=O)[O-])n1 ZINC000934277057 669590653 /nfs/dbraw/zinc/59/06/53/669590653.db2.gz YEUZKZKGOQKBGN-QWHCGFSZSA-N 1 1 309.370 0.359 20 5 DCBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000791248996 669599587 /nfs/dbraw/zinc/59/95/87/669599587.db2.gz BMDZPWIDSYVXAQ-UHFFFAOYSA-N 1 1 316.321 0.863 20 5 DCBDMO O=C1CC[C@@H]([N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C(=O)N1 ZINC000799139668 670043898 /nfs/dbraw/zinc/04/38/98/670043898.db2.gz VRNAPHPSLILYGN-GXSJLCMTSA-N 1 1 319.321 0.281 20 5 DCBDMO O=C1CC[C@@H]([N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C(=O)N1 ZINC000799139668 670043899 /nfs/dbraw/zinc/04/38/99/670043899.db2.gz VRNAPHPSLILYGN-GXSJLCMTSA-N 1 1 319.321 0.281 20 5 DCBDMO CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC000949095347 670258226 /nfs/dbraw/zinc/25/82/26/670258226.db2.gz IJGRICNBGSMCBR-CHWSQXEVSA-N 1 1 311.382 0.755 20 5 DCBDMO NC(=O)[C@@H]1C[N@@H+](Cn2nccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000840178344 670452795 /nfs/dbraw/zinc/45/27/95/670452795.db2.gz RNMUMGNOKGJVBN-QWHCGFSZSA-N 1 1 315.333 0.950 20 5 DCBDMO Nc1nccc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000847406549 670549103 /nfs/dbraw/zinc/54/91/03/670549103.db2.gz DBBZXTZVXQRVLL-VHSXEESVSA-N 1 1 321.337 0.165 20 5 DCBDMO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000856411809 670816148 /nfs/dbraw/zinc/81/61/48/670816148.db2.gz ANDDKSOGBHZFEK-JHJVBQTASA-N 1 1 311.382 0.753 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000827330236 671523216 /nfs/dbraw/zinc/52/32/16/671523216.db2.gz KYPDUMKZRPHCJI-YPMHNXCESA-N 1 1 307.354 0.734 20 5 DCBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000827528034 671530808 /nfs/dbraw/zinc/53/08/08/671530808.db2.gz FSGJSMXKYAXTHU-ILXRZTDVSA-N 1 1 319.361 0.881 20 5 DCBDMO CCn1cc(CC[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC001020139860 693710623 /nfs/dbraw/zinc/71/06/23/693710623.db2.gz PIHTYLDQOPAZTL-AAVRWANBSA-N 1 1 321.381 0.348 20 5 DCBDMO Cc1[nH]nc(C(=O)N(CCO)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001570862692 1162637372 /nfs/dbraw/zinc/63/73/72/1162637372.db2.gz COGNRCDQJQFGRJ-UHFFFAOYSA-N 1 1 311.342 0.155 20 5 DCBDMO O=C(NCC1C[NH+](CCOCC2CCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001692304572 1157783591 /nfs/dbraw/zinc/78/35/91/1157783591.db2.gz SAFUOMBUPQQWBP-ZIAGYGMSSA-N 1 1 311.382 0.516 20 5 DCBDMO C[C@@H]1CCNC(=O)[C@H]1NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001576743779 1164448896 /nfs/dbraw/zinc/44/88/96/1164448896.db2.gz BFEHJNPCWDKGKJ-MURWCNHISA-N 1 1 320.349 0.410 20 5 DCBDMO CNC(=O)[C@@H](NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)C(C)C ZINC001578561228 1165060795 /nfs/dbraw/zinc/06/07/95/1165060795.db2.gz ORURIFJJAYYEHX-WFASDCNBSA-N 1 1 322.365 0.656 20 5 DCBDMO O=[N+]([O-])c1ccc(OCCCN2CCN(C3C[NH2+]C3)CC2)cc1 ZINC001580876015 1165749145 /nfs/dbraw/zinc/74/91/45/1165749145.db2.gz WSTANDRINQQJNY-UHFFFAOYSA-N 1 1 320.393 0.953 20 5 DCBDMO C[C@H](CCO)[N@@H+](C)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001589835576 1166695628 /nfs/dbraw/zinc/69/56/28/1166695628.db2.gz WZXFWXKNUSIVAV-SECBINFHSA-N 1 1 306.326 0.978 20 5 DCBDMO C[C@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1O ZINC001590310369 1166857600 /nfs/dbraw/zinc/85/76/00/1166857600.db2.gz VPWCGIHGEFWLMG-UFBFGSQYSA-N 1 1 304.310 0.588 20 5 DCBDMO C[N@H+]1CC[C@@](O)(CNc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001604855444 1169710489 /nfs/dbraw/zinc/71/04/89/1169710489.db2.gz HVVKXJWNFWYXLK-CYBMUJFWSA-N 1 1 319.325 0.253 20 5 DCBDMO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])CC1(CO)CC1 ZINC001609278894 1170908802 /nfs/dbraw/zinc/90/88/02/1170908802.db2.gz ZUBRHIFNTORMRQ-UHFFFAOYSA-N 1 1 318.337 0.979 20 5 DCBDMO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])CC1(CO)CC1 ZINC001609278894 1170908807 /nfs/dbraw/zinc/90/88/07/1170908807.db2.gz ZUBRHIFNTORMRQ-UHFFFAOYSA-N 1 1 318.337 0.979 20 5 DCBDMO CN(C)C(=O)C[N@@H+]1CCCN(c2ccncc2[N+](=O)[O-])CC1 ZINC001612917606 1171365582 /nfs/dbraw/zinc/36/55/82/1171365582.db2.gz XIGFQSVNPIBLDJ-UHFFFAOYSA-N 1 1 307.354 0.590 20 5 DCBDMO CN(C)C(=O)C[N@H+]1CCCN(c2ccncc2[N+](=O)[O-])CC1 ZINC001612917606 1171365587 /nfs/dbraw/zinc/36/55/87/1171365587.db2.gz XIGFQSVNPIBLDJ-UHFFFAOYSA-N 1 1 307.354 0.590 20 5 DCBDMO C[N@H+]1CCC[C@H](CCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001629540940 1171552460 /nfs/dbraw/zinc/55/24/60/1171552460.db2.gz ATSZIMNBFNQHFY-GFCCVEGCSA-N 1 1 322.365 0.605 20 5 DCBDMO C[N@@H+](CCNc1c(Cl)cncc1[N+](=O)[O-])CCOCCO ZINC001640319907 1171876288 /nfs/dbraw/zinc/87/62/88/1171876288.db2.gz DMHFTGXKFDNGEC-UHFFFAOYSA-N 1 1 318.761 0.418 20 5 DCBDMO COC[C@]1(CO)CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001643116753 1171966511 /nfs/dbraw/zinc/96/65/11/1171966511.db2.gz CJIDQPORJCNLBI-HUUCEWRRSA-N 1 1 310.350 0.959 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccnc(N)c3[N+](=O)[O-])[C@@H]2C1 ZINC001648175537 1173068678 /nfs/dbraw/zinc/06/86/78/1173068678.db2.gz UGGRIQGSNOMBNA-GDPRMGEGSA-N 1 1 305.338 0.642 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC001654517601 1173806555 /nfs/dbraw/zinc/80/65/55/1173806555.db2.gz LEQZEKKWFAMXED-KBUPBQIOSA-N 1 1 324.381 0.778 20 5 DCBDMO Cc1c(NC(=O)CC[N@H+]2C[C@@H](O)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC001658943457 1173928933 /nfs/dbraw/zinc/92/89/33/1173928933.db2.gz XJTMTAPXJONVGY-SMDDNHRTSA-N 1 1 323.349 0.517 20 5 DCBDMO Cn1cc([C@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)nn1 ZINC001660592102 1174017857 /nfs/dbraw/zinc/01/78/57/1174017857.db2.gz QAQJNPLHQBJGPG-NSHDSACASA-N 1 1 305.342 0.799 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C/C=C/CNC(=O)c1cocn1 ZINC001668745501 1174830258 /nfs/dbraw/zinc/83/02/58/1174830258.db2.gz HYZSVEMRSVNTFE-NSCUHMNNSA-N 1 1 320.309 0.392 20 5 DCBDMO CCCC[NH2+]C1CCN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001733578894 1186340754 /nfs/dbraw/zinc/34/07/54/1186340754.db2.gz IGRITUHRJMRQET-ZIAGYGMSSA-N 1 1 312.414 0.622 20 5 DCBDMO NC(=O)C(=O)NCC1=CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001734631810 1186713171 /nfs/dbraw/zinc/71/31/71/1186713171.db2.gz WUMXOANREOKACZ-UHFFFAOYSA-N 1 1 318.333 0.328 20 5 DCBDMO C[N@H+]1CCO[C@H]2CN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])C[C@H]21 ZINC001164668721 719409946 /nfs/dbraw/zinc/40/99/46/719409946.db2.gz KBBVKCWAEKDOGP-ZJUUUORDSA-N 1 1 314.729 0.401 20 5 DCBDMO Cc1ncc(CN)c(=N)n1-c1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001167674429 747513947 /nfs/dbraw/zinc/51/39/47/747513947.db2.gz PFUDNECNPVHPCN-UHFFFAOYSA-N 1 1 300.322 0.630 20 5 DCBDMO CCCc1n[nH]c(C(=O)N(C)CC[N@@H+](C)CCO)c1[N+](=O)[O-] ZINC001168340382 749923860 /nfs/dbraw/zinc/92/38/60/749923860.db2.gz PBATXLLBSFKLHI-UHFFFAOYSA-N 1 1 313.358 0.267 20 5 DCBDMO CCCc1[nH]nc(C(=O)N(C)CC[N@H+](C)CCO)c1[N+](=O)[O-] ZINC001168340382 749923864 /nfs/dbraw/zinc/92/38/64/749923864.db2.gz PBATXLLBSFKLHI-UHFFFAOYSA-N 1 1 313.358 0.267 20 5 DCBDMO CCCc1[nH]nc(C(=O)N(C)CC[N@@H+](C)CCO)c1[N+](=O)[O-] ZINC001168340382 749923866 /nfs/dbraw/zinc/92/38/66/749923866.db2.gz PBATXLLBSFKLHI-UHFFFAOYSA-N 1 1 313.358 0.267 20 5 DCBDMO O=C(NCC[NH2+]Cc1cccc2c1CCOC2)[C@@H]1CC1[N+](=O)[O-] ZINC001126936441 750149467 /nfs/dbraw/zinc/14/94/67/750149467.db2.gz HYVDWSHKDLVEBV-HUUCEWRRSA-N 1 1 319.361 0.630 20 5 DCBDMO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ncn[nH]1 ZINC001168732026 753937644 /nfs/dbraw/zinc/93/76/44/753937644.db2.gz VUYDKCQMYNGXMD-UHFFFAOYSA-N 1 1 304.310 0.623 20 5 DCBDMO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1nc[nH]n1 ZINC001168732026 753937647 /nfs/dbraw/zinc/93/76/47/753937647.db2.gz VUYDKCQMYNGXMD-UHFFFAOYSA-N 1 1 304.310 0.623 20 5 DCBDMO COC(=O)c1cc([N+](=O)[O-])ncc1NC(=[NH2+])N1CCN(C)CC1 ZINC001168740905 754045258 /nfs/dbraw/zinc/04/52/58/754045258.db2.gz RJWGYFKSIGHNRC-UHFFFAOYSA-N 1 1 322.325 0.370 20 5 DCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3ccns3)C[C@@H]2C1 ZINC001048813126 754955354 /nfs/dbraw/zinc/95/53/54/754955354.db2.gz ANKIVMYSFFZOJS-LYIQGSDWSA-N 1 1 322.390 0.699 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3ccns3)C[C@@H]2C1 ZINC001048813126 754955358 /nfs/dbraw/zinc/95/53/58/754955358.db2.gz ANKIVMYSFFZOJS-LYIQGSDWSA-N 1 1 322.390 0.699 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3ccns3)C[C@@H]2C1 ZINC001048813126 754955361 /nfs/dbraw/zinc/95/53/61/754955361.db2.gz ANKIVMYSFFZOJS-LYIQGSDWSA-N 1 1 322.390 0.699 20 5 DCBDMO O=C(NC[C@H]1C[C@@H]([NH2+]CC2CCOCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086084566 759693873 /nfs/dbraw/zinc/69/38/73/759693873.db2.gz VZXLLQXJBMRWTC-XJFOESAGSA-N 1 1 311.382 0.563 20 5 DCBDMO Cn1cncc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086363310 760101520 /nfs/dbraw/zinc/10/15/20/760101520.db2.gz NLQMQJJEWJXLPC-FPQZTECRSA-N 1 1 307.354 0.070 20 5 DCBDMO CN(C)CC(=O)N[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169056300 760566210 /nfs/dbraw/zinc/56/62/10/760566210.db2.gz RJUOVUGGKUIIHH-MCIONIFRSA-N 1 1 312.414 0.574 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CCC(C)(F)F ZINC001130391945 763284643 /nfs/dbraw/zinc/28/46/43/763284643.db2.gz ZFNKREDCPLJVBD-UHFFFAOYSA-N 1 1 319.312 0.970 20 5 DCBDMO Cc1nn(C)c(C(=O)N2CC(C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC001117775635 766140841 /nfs/dbraw/zinc/14/08/41/766140841.db2.gz WDRYVKXOKUTWPJ-UHFFFAOYSA-N 1 1 323.353 0.041 20 5 DCBDMO COc1nc(SC)nc(N[C@H](N)CCC[NH3+])c1[N+](=O)[O-] ZINC001170899114 766249352 /nfs/dbraw/zinc/24/93/52/766249352.db2.gz RYIZDWHDNZDBBP-LURJTMIESA-N 1 1 302.360 0.551 20 5 DCBDMO Nc1ncc(C(=O)NC[C@@]23CC[N@@H+](C2)CCC3)cc1[N+](=O)[O-] ZINC001144050558 766774941 /nfs/dbraw/zinc/77/49/41/766774941.db2.gz LFHULJXRIAUOKI-CQSZACIVSA-N 1 1 305.338 0.788 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001121291693 767500409 /nfs/dbraw/zinc/50/04/09/767500409.db2.gz OSDPAGOSXYFIBO-IJLUTSLNSA-N 1 1 307.354 0.556 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)C(C1CC1)C1CC1 ZINC001147222157 767688620 /nfs/dbraw/zinc/68/86/20/767688620.db2.gz HVTNTPLOHKGONV-UHFFFAOYSA-N 1 1 321.381 0.970 20 5 DCBDMO Cc1[nH+]ccn1CC(=O)NCCNc1ncccc1[N+](=O)[O-] ZINC001093642127 768666671 /nfs/dbraw/zinc/66/66/71/768666671.db2.gz METDAOYGIVFFFQ-UHFFFAOYSA-N 1 1 304.310 0.723 20 5 DCBDMO Cc1[nH+]ccn1CC(=O)NCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001093641994 768667152 /nfs/dbraw/zinc/66/71/52/768667152.db2.gz FIZLLHHHZYRTOX-UHFFFAOYSA-N 1 1 320.309 0.429 20 5 DCBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)NC[C@@H](O)C[NH3+])c1F ZINC001173177965 769555660 /nfs/dbraw/zinc/55/56/60/769555660.db2.gz YXGVMOXDDXGLTH-BDAKNGLRSA-N 1 1 301.318 0.583 20 5 DCBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)[C@@H](C)C1 ZINC001155147011 770413585 /nfs/dbraw/zinc/41/35/85/770413585.db2.gz XUZIRNJSFGBBMQ-QWRGUYRKSA-N 1 1 322.365 0.704 20 5 DCBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)[C@@H](C)C1 ZINC001155147011 770413589 /nfs/dbraw/zinc/41/35/89/770413589.db2.gz XUZIRNJSFGBBMQ-QWRGUYRKSA-N 1 1 322.365 0.704 20 5 DCBDMO Cc1[nH]nc(C(=O)N2CC([NH2+]C3CCOCC3)C2)c1[N+](=O)[O-] ZINC001155332224 770471105 /nfs/dbraw/zinc/47/11/05/770471105.db2.gz SSOCUVCPTKGVKT-UHFFFAOYSA-N 1 1 309.326 0.219 20 5 DCBDMO Cn1cc(C[NH2+]CCCCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])nn1 ZINC001178458412 770759782 /nfs/dbraw/zinc/75/97/82/770759782.db2.gz GEYMANMZPWCARD-CHWSQXEVSA-N 1 1 324.385 0.247 20 5 DCBDMO CN(C)c1cc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])ccn1 ZINC001157760623 771664621 /nfs/dbraw/zinc/66/46/21/771664621.db2.gz FVEWZXSHZUWLLY-CHWSQXEVSA-N 1 1 321.381 0.409 20 5 DCBDMO O=C1C[NH2+]CCN1CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001161024178 772151412 /nfs/dbraw/zinc/15/14/12/772151412.db2.gz IKWFBMMMSDADHW-UHFFFAOYSA-N 1 1 315.333 0.987 20 5 DCBDMO COc1ncc([N+](=O)[O-])c(NCCC[NH+]2CCN(C)CC2)n1 ZINC001161703877 772269333 /nfs/dbraw/zinc/26/93/33/772269333.db2.gz PPLOWODTAXWGGF-UHFFFAOYSA-N 1 1 310.358 0.443 20 5 DCBDMO C[N@H+]1CC[C@H](CNS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC001191123209 772722828 /nfs/dbraw/zinc/72/28/28/772722828.db2.gz GTLILAZWSJMONB-SECBINFHSA-N 1 1 300.340 0.220 20 5 DCBDMO N[C@@H]1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1(F)F ZINC001166961761 772890113 /nfs/dbraw/zinc/89/01/13/772890113.db2.gz RYMQAUMVHFKPGO-SECBINFHSA-N 1 1 314.296 0.244 20 5 DCBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@H](c3nn[nH]n3)C2)c1 ZINC001197297140 773727148 /nfs/dbraw/zinc/72/71/48/773727148.db2.gz NYKQPQQNQQWOSH-JQWIXIFHSA-N 1 1 304.310 0.631 20 5 DCBDMO NS(=O)(=O)C[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001198328684 773901646 /nfs/dbraw/zinc/90/16/46/773901646.db2.gz WEGCGJDCTVCAOG-VIFPVBQESA-N 1 1 300.340 0.100 20 5 DCBDMO NS(=O)(=O)C[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001198328684 773901648 /nfs/dbraw/zinc/90/16/48/773901648.db2.gz WEGCGJDCTVCAOG-VIFPVBQESA-N 1 1 300.340 0.100 20 5 DCBDMO COCCCC[NH+]1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001223113878 775465289 /nfs/dbraw/zinc/46/52/89/775465289.db2.gz DILUWYQXLJCBHF-ZIAGYGMSSA-N 1 1 313.398 0.906 20 5 DCBDMO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2C[C@H](O)CC[NH2+]2)n1 ZINC001247513301 945557862 /nfs/dbraw/zinc/55/78/62/945557862.db2.gz NKPYRTSVXFUXOY-SFYZADRCSA-N 1 1 309.257 0.964 20 5 DCBDMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319855890 945681676 /nfs/dbraw/zinc/68/16/76/945681676.db2.gz KQKFZAOXMTWSEQ-OAHLLOKOSA-N 1 1 316.361 0.827 20 5 DCBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001299563494 946928445 /nfs/dbraw/zinc/92/84/45/946928445.db2.gz MGGMICIUIBCSKE-GHMZBOCLSA-N 1 1 322.365 0.704 20 5 DCBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001299563494 946928453 /nfs/dbraw/zinc/92/84/53/946928453.db2.gz MGGMICIUIBCSKE-GHMZBOCLSA-N 1 1 322.365 0.704 20 5 DCBDMO CCC[N@@H+](C)CC(=O)NCCN(C)c1ncccc1[N+](=O)[O-] ZINC001263220670 947822411 /nfs/dbraw/zinc/82/24/11/947822411.db2.gz NKLRSPIQZOBZCC-UHFFFAOYSA-N 1 1 309.370 0.884 20 5 DCBDMO O=C(NC[C@H]1C[C@H]([NH2+]CCOC2CCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001263861963 948787003 /nfs/dbraw/zinc/78/70/03/948787003.db2.gz UXZKGTYMPUSUCS-HBJVGIJOSA-N 1 1 311.382 0.705 20 5 DCBDMO CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ocnc1C ZINC001266043298 950292682 /nfs/dbraw/zinc/29/26/82/950292682.db2.gz WSQTZFSWQJMHCJ-VXGBXAGGSA-N 1 1 310.354 0.976 20 5 DCBDMO CC[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ocnc1C ZINC001266043298 950292697 /nfs/dbraw/zinc/29/26/97/950292697.db2.gz WSQTZFSWQJMHCJ-VXGBXAGGSA-N 1 1 310.354 0.976 20 5 DCBDMO CC[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ocnc1C ZINC001266043298 950292715 /nfs/dbraw/zinc/29/27/15/950292715.db2.gz WSQTZFSWQJMHCJ-VXGBXAGGSA-N 1 1 310.354 0.976 20 5 DCBDMO C[NH+]1CCN(C2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)CC1 ZINC001332113435 951484135 /nfs/dbraw/zinc/48/41/35/951484135.db2.gz QUTVXQWIMJIWJM-UHFFFAOYSA-N 1 1 320.349 0.372 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@@H]2C1 ZINC001339316632 953087135 /nfs/dbraw/zinc/08/71/35/953087135.db2.gz IXAPHPAWJWFWHN-CYZMBNFOSA-N 1 1 320.349 0.213 20 5 DCBDMO O=[N+]([O-])c1ccccc1CS(=O)(=O)NCC[NH+]1CC=CC1 ZINC001342446010 953290502 /nfs/dbraw/zinc/29/05/02/953290502.db2.gz MJLQXVYTAILWHZ-UHFFFAOYSA-N 1 1 311.363 0.886 20 5 DCBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@]1(CO)COCC[NH2+]1 ZINC001302504405 960024749 /nfs/dbraw/zinc/02/47/49/960024749.db2.gz RUYWWJVAZSVIGK-VFQAQYNWSA-N 1 1 321.333 0.075 20 5 DCBDMO Cc1ccc(NCCNC(=O)c2nn(C)cc2[N+](=O)[O-])[nH+]c1 ZINC001303956429 960073962 /nfs/dbraw/zinc/07/39/62/960073962.db2.gz LUCAYIJWALIYSR-UHFFFAOYSA-N 1 1 304.310 0.874 20 5 DCBDMO CCNC(=O)CC(=O)NCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001317443526 960124087 /nfs/dbraw/zinc/12/40/87/960124087.db2.gz SOPDNGQNKXWSSW-UHFFFAOYSA-N 1 1 322.365 0.669 20 5 DCBDMO CCNC(=O)CC(=O)NCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001317443526 960124092 /nfs/dbraw/zinc/12/40/92/960124092.db2.gz SOPDNGQNKXWSSW-UHFFFAOYSA-N 1 1 322.365 0.669 20 5 DCBDMO CC[N@@H+](CCNC(=O)CNC(C)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001317475358 960187694 /nfs/dbraw/zinc/18/76/94/960187694.db2.gz OEBONPLUOPMPQH-UHFFFAOYSA-N 1 1 322.365 0.669 20 5 DCBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cnc(N)c([N+](=O)[O-])c3)CC[C@H]21 ZINC001471214607 1016544620 /nfs/dbraw/zinc/54/46/20/1016544620.db2.gz JUMICWTUKGDRJK-GXSJLCMTSA-N 1 1 305.338 0.738 20 5 DCBDMO NC(=O)c1ccc(C[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001473791911 1016967443 /nfs/dbraw/zinc/96/74/43/1016967443.db2.gz DCBZOQVEZFNNTD-SCDSUCTJSA-N 1 1 305.334 0.896 20 5 DCBDMO CNC(=O)N[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001473794271 1016971943 /nfs/dbraw/zinc/97/19/43/1016971943.db2.gz MYCMEHLYOPQRJD-NSHDSACASA-N 1 1 323.353 0.150 20 5 DCBDMO CNC(=O)N[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001473794271 1016971956 /nfs/dbraw/zinc/97/19/56/1016971956.db2.gz MYCMEHLYOPQRJD-NSHDSACASA-N 1 1 323.353 0.150 20 5 DCBDMO CCc1n[nH]c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)c1[N+](=O)[O-] ZINC001455303476 1009643331 /nfs/dbraw/zinc/64/33/31/1009643331.db2.gz DXQYVHOLEZTXOF-VHSXEESVSA-N 1 1 323.353 0.161 20 5 DCBDMO CCc1[nH]nc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)c1[N+](=O)[O-] ZINC001455303476 1009643334 /nfs/dbraw/zinc/64/33/34/1009643334.db2.gz DXQYVHOLEZTXOF-VHSXEESVSA-N 1 1 323.353 0.161 20 5 DCBDMO CCc1[nH]nc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)c1[N+](=O)[O-] ZINC001455303476 1009643337 /nfs/dbraw/zinc/64/33/37/1009643337.db2.gz DXQYVHOLEZTXOF-VHSXEESVSA-N 1 1 323.353 0.161 20 5 DCBDMO Nc1ncc(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC001556663382 1012218429 /nfs/dbraw/zinc/21/84/29/1012218429.db2.gz IQEVKBQITMNYEQ-LLVKDONJSA-N 1 1 323.353 0.149 20 5 DCBDMO CCc1[nH+]ccn1CCNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001558290935 1012340054 /nfs/dbraw/zinc/34/00/54/1012340054.db2.gz GHFDXJKKTBBYEA-UHFFFAOYSA-N 1 1 304.310 0.761 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC([NH2+]C3COC3)C2)c1 ZINC001559288703 1012413885 /nfs/dbraw/zinc/41/38/85/1012413885.db2.gz OWRQWZGKDSGJRN-UHFFFAOYSA-N 1 1 307.306 0.558 20 5 DCBDMO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1CS(N)(=O)=O ZINC001560185315 1012439059 /nfs/dbraw/zinc/43/90/59/1012439059.db2.gz QHPIRDJHJVEKRK-PWSUYJOCSA-N 1 1 313.379 0.951 20 5 DCBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](CO)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC001560088459 1012439132 /nfs/dbraw/zinc/43/91/32/1012439132.db2.gz JCSMZYSTZGTFDC-PHIMTYICSA-N 1 1 311.294 0.536 20 5 DCBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC001560088459 1012439143 /nfs/dbraw/zinc/43/91/43/1012439143.db2.gz JCSMZYSTZGTFDC-PHIMTYICSA-N 1 1 311.294 0.536 20 5 DCBDMO CC(C)n1cc(C[NH2+]CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])nn1 ZINC001498546553 1019214510 /nfs/dbraw/zinc/21/45/10/1019214510.db2.gz VTNZGZDUUBSGAI-CHWSQXEVSA-N 1 1 324.385 0.462 20 5 DCBDMO C[NH+]1CCN(C(C)(C)CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC001615837059 1171376697 /nfs/dbraw/zinc/37/66/97/1171376697.db2.gz DENZTYPQHADZRH-UHFFFAOYSA-N 1 1 310.358 0.074 20 5 DCBDMO C[N@H+]1CC[C@H]2CCN(c3nccc(C(N)=O)c3[N+](=O)[O-])[C@H]2C1 ZINC000290985371 283153297 /nfs/dbraw/zinc/15/32/97/283153297.db2.gz SHESSCWXNPNHOI-ONGXEEELSA-N 1 1 305.338 0.619 20 5 DCBDMO NC(=O)c1cccc([N+](=O)[O-])c1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000420609909 283386737 /nfs/dbraw/zinc/38/67/37/283386737.db2.gz IYESVHOTYSEVTK-JTQLQIEISA-N 1 1 306.322 0.215 20 5 DCBDMO NC(=O)c1cccc([N+](=O)[O-])c1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000420609909 283386738 /nfs/dbraw/zinc/38/67/38/283386738.db2.gz IYESVHOTYSEVTK-JTQLQIEISA-N 1 1 306.322 0.215 20 5 DCBDMO O=[N+]([O-])c1cnc2ccc(NCC[N@H+]3CCCOCC3)nn21 ZINC000188503454 237374287 /nfs/dbraw/zinc/37/42/87/237374287.db2.gz OKYQXVHYONGJGJ-UHFFFAOYSA-N 1 1 306.326 0.772 20 5 DCBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000424981549 240275870 /nfs/dbraw/zinc/27/58/70/240275870.db2.gz BHUPSCUWHWSQBS-UHFFFAOYSA-N 1 1 311.342 0.501 20 5 DCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000264801807 204166183 /nfs/dbraw/zinc/16/61/83/204166183.db2.gz WMXSVSDAJHMCGQ-HSBSLETESA-N 1 1 318.377 0.970 20 5 DCBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)C1CC1 ZINC000264914399 204264962 /nfs/dbraw/zinc/26/49/62/204264962.db2.gz KEDUNFGIAJXZPQ-UHFFFAOYSA-N 1 1 314.367 0.748 20 5 DCBDMO CCn1c(C)nc([N+](=O)[O-])c1NC1CC[NH+](CC(=O)NC)CC1 ZINC000288212507 220020612 /nfs/dbraw/zinc/02/06/12/220020612.db2.gz UQAQTZHRJPLTSU-UHFFFAOYSA-N 1 1 324.385 0.742 20 5 DCBDMO CC[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000288472015 220163637 /nfs/dbraw/zinc/16/36/37/220163637.db2.gz OSVSUYPVQCCYSN-NSHDSACASA-N 1 1 308.338 0.309 20 5 DCBDMO O=C([C@H]1CSC[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000238013217 284583360 /nfs/dbraw/zinc/58/33/60/284583360.db2.gz DCHUZFNGHHBXGU-CYBMUJFWSA-N 1 1 322.390 0.906 20 5 DCBDMO O=C([C@H]1CSC[NH2+]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000574573552 291702935 /nfs/dbraw/zinc/70/29/35/291702935.db2.gz WMJMFJLFBAQQDM-SNVBAGLBSA-N 1 1 311.367 0.617 20 5 DCBDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000346179332 254019861 /nfs/dbraw/zinc/01/98/61/254019861.db2.gz BBOIXLXUNKYSGU-SGMGOOAPSA-N 1 1 321.381 0.980 20 5 DCBDMO Cc1cccc(NCCNC(=O)Cn2cc([N+](=O)[O-])cn2)[nH+]1 ZINC000346258405 254028379 /nfs/dbraw/zinc/02/83/79/254028379.db2.gz HPJVZKOCWDOHOR-UHFFFAOYSA-N 1 1 304.310 0.723 20 5 DCBDMO Cc1[nH]nc(C(=O)N2CCC[N@H+]([C@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000347118974 254131146 /nfs/dbraw/zinc/13/11/46/254131146.db2.gz ADOOOQWBZIIPKF-SECBINFHSA-N 1 1 311.342 0.155 20 5 DCBDMO NC(=O)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCCC1 ZINC000090526081 395718943 /nfs/dbraw/zinc/71/89/43/395718943.db2.gz YKWNUFSBVJGDOF-UHFFFAOYSA-N 1 1 308.338 0.486 20 5 DCBDMO C[NH+]1CCN(CC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000133448563 395930018 /nfs/dbraw/zinc/93/00/18/395930018.db2.gz LTTRVHVFOVIECC-UHFFFAOYSA-N 1 1 306.366 0.501 20 5 DCBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](Cn3ccnn3)C2)n1 ZINC000119410760 395870431 /nfs/dbraw/zinc/87/04/31/395870431.db2.gz KFGSGWRVKADKJC-GFCCVEGCSA-N 1 1 305.342 0.795 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000247019278 395964582 /nfs/dbraw/zinc/96/45/82/395964582.db2.gz OYLNKPSOHHEUAC-DGCLKSJQSA-N 1 1 320.353 0.755 20 5 DCBDMO CC[N@@H+](CCNC(=O)NCCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000150918191 395975896 /nfs/dbraw/zinc/97/58/96/395975896.db2.gz HBQJLISSYFNJAQ-UHFFFAOYSA-N 1 1 310.358 0.575 20 5 DCBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000261625065 396050596 /nfs/dbraw/zinc/05/05/96/396050596.db2.gz ALXDEHHQIHGGCE-MTBHXBHISA-N 1 1 301.299 0.230 20 5 DCBDMO CN(C)C(=O)C[NH+]1CCC(Nc2c([N+](=O)[O-])ncn2C)CC1 ZINC000068773152 396063150 /nfs/dbraw/zinc/06/31/50/396063150.db2.gz QNWFAOPZAOJZKZ-UHFFFAOYSA-N 1 1 310.358 0.293 20 5 DCBDMO O=[N+]([O-])c1cnc2ccc(N3CCC[N@H+](CCO)CC3)nn21 ZINC000159353718 396067999 /nfs/dbraw/zinc/06/79/99/396067999.db2.gz OUHKKMBRWUNHRK-UHFFFAOYSA-N 1 1 306.326 0.142 20 5 DCBDMO O=C1[C@H]([N@H+]2C[C@H](O)C[C@H]2CO)CCN1c1cccc([N+](=O)[O-])c1 ZINC000249278932 396005769 /nfs/dbraw/zinc/00/57/69/396005769.db2.gz FOJXZIVPHOUHME-BFHYXJOUSA-N 1 1 321.333 0.128 20 5 DCBDMO O=C1[C@H]([N@@H+]2C[C@H](O)C[C@H]2CO)CCN1c1cccc([N+](=O)[O-])c1 ZINC000249278932 396005774 /nfs/dbraw/zinc/00/57/74/396005774.db2.gz FOJXZIVPHOUHME-BFHYXJOUSA-N 1 1 321.333 0.128 20 5 DCBDMO COCC[N@@H+](C)CCNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000171200026 396110149 /nfs/dbraw/zinc/11/01/49/396110149.db2.gz JNLHYHQLWVUESG-UHFFFAOYSA-N 1 1 310.354 0.972 20 5 DCBDMO Cc1nn(C)c(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000177169579 396167868 /nfs/dbraw/zinc/16/78/68/396167868.db2.gz XNPVEWNWEJCHAL-SCZZXKLOSA-N 1 1 307.354 0.992 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2CN2CCCC2)c1 ZINC000075684544 396185038 /nfs/dbraw/zinc/18/50/38/396185038.db2.gz LSYPDWQZSSNVKJ-HIFRSBDPSA-N 1 1 323.397 0.712 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H]2CN2CCCC2)c1 ZINC000075684544 396185039 /nfs/dbraw/zinc/18/50/39/396185039.db2.gz LSYPDWQZSSNVKJ-HIFRSBDPSA-N 1 1 323.397 0.712 20 5 DCBDMO CNC(=O)C[NH+]1CCC(Nc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000078629891 396250467 /nfs/dbraw/zinc/25/04/67/396250467.db2.gz RSHAVFAYMFNBQE-UHFFFAOYSA-N 1 1 307.354 0.921 20 5 DCBDMO CC[N@@H+](C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000265395297 396313084 /nfs/dbraw/zinc/31/30/84/396313084.db2.gz QFEJZZJOSMKUNH-UHFFFAOYSA-N 1 1 324.337 0.610 20 5 DCBDMO C[N@H+]1CCN(CCNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1(C)C ZINC000285951352 396364715 /nfs/dbraw/zinc/36/47/15/396364715.db2.gz MWVCWOXEJLVFKW-UHFFFAOYSA-N 1 1 310.358 0.074 20 5 DCBDMO COc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000507309471 396497160 /nfs/dbraw/zinc/49/71/60/396497160.db2.gz CLVPKEDPJUHPBB-VIFPVBQESA-N 1 1 315.351 0.586 20 5 DCBDMO [NH3+][C@H]1C[C@H]2CN(Cc3cc(O)ccc3[N+](=O)[O-])CCN2C1=O ZINC000594876086 396533046 /nfs/dbraw/zinc/53/30/46/396533046.db2.gz CFCAVYXYIWSWSE-JQWIXIFHSA-N 1 1 306.322 0.044 20 5 DCBDMO CC(C)CO[C@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000305044628 396734749 /nfs/dbraw/zinc/73/47/49/396734749.db2.gz KVSBWWRZHJFHEV-KBPBESRZSA-N 1 1 312.370 0.899 20 5 DCBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000611217868 396836979 /nfs/dbraw/zinc/83/69/79/396836979.db2.gz QJUGYINDVMRDKB-HNNXBMFYSA-N 1 1 318.377 0.643 20 5 DCBDMO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H]1COCCN1)OCCO2 ZINC000600678489 396915929 /nfs/dbraw/zinc/91/59/29/396915929.db2.gz QUFFLJRQGYAQJE-NSHDSACASA-N 1 1 309.322 0.444 20 5 DCBDMO O=C(CO)N1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601135664 397008175 /nfs/dbraw/zinc/00/81/75/397008175.db2.gz QIDWNKMLZVEBEI-UHFFFAOYSA-N 1 1 316.317 0.784 20 5 DCBDMO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000592196468 397121774 /nfs/dbraw/zinc/12/17/74/397121774.db2.gz BSMNNDULHBKWCT-NWDGAFQWSA-N 1 1 324.333 0.959 20 5 DCBDMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000592196468 397121775 /nfs/dbraw/zinc/12/17/75/397121775.db2.gz BSMNNDULHBKWCT-NWDGAFQWSA-N 1 1 324.333 0.959 20 5 DCBDMO COc1ccccc1[C@H]([NH3+])C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000578132915 397395400 /nfs/dbraw/zinc/39/54/00/397395400.db2.gz FWFDPCSMIBDBHR-ZDUSSCGKSA-N 1 1 319.321 0.616 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000599531088 397466336 /nfs/dbraw/zinc/46/63/36/397466336.db2.gz HREKJQZHWAAODC-RYUDHWBXSA-N 1 1 323.349 0.374 20 5 DCBDMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000609134944 397762101 /nfs/dbraw/zinc/76/21/01/397762101.db2.gz CMCUEMKBGPZVMY-CHWSQXEVSA-N 1 1 308.338 0.594 20 5 DCBDMO C[NH+]1CCN(CC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609550356 397780773 /nfs/dbraw/zinc/78/07/73/397780773.db2.gz TZAWLBNEBYSWES-UHFFFAOYSA-N 1 1 322.365 0.337 20 5 DCBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000119289266 158185131 /nfs/dbraw/zinc/18/51/31/158185131.db2.gz SLHKWJDLZQCTPM-GFCCVEGCSA-N 1 1 309.370 0.885 20 5 DCBDMO Nc1c(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000321806249 159011675 /nfs/dbraw/zinc/01/16/75/159011675.db2.gz YHWIKHHBYHWKDM-GHMZBOCLSA-N 1 1 320.349 0.770 20 5 DCBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000330524286 159185910 /nfs/dbraw/zinc/18/59/10/159185910.db2.gz JUNBCZNWISJXFP-LBPRGKRZSA-N 1 1 322.365 0.557 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H](n3cccn3)C2)c1 ZINC000362888530 159273148 /nfs/dbraw/zinc/27/31/48/159273148.db2.gz JVCOKFANGXNWEL-TZMCWYRMSA-N 1 1 320.353 0.686 20 5 DCBDMO NC(=O)C[C@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000367308139 159330771 /nfs/dbraw/zinc/33/07/71/159330771.db2.gz NIGKXEAYXUPCPF-DGCLKSJQSA-N 1 1 323.349 0.532 20 5 DCBDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000367578966 159345644 /nfs/dbraw/zinc/34/56/44/159345644.db2.gz XKYMFNTXRYSEDF-OLZOCXBDSA-N 1 1 309.370 0.586 20 5 DCBDMO COCC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@H]1C ZINC000357054637 287203170 /nfs/dbraw/zinc/20/31/70/287203170.db2.gz UPJJYKYYPSVCIL-SNVBAGLBSA-N 1 1 311.342 0.121 20 5 DCBDMO COCC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@H]1C ZINC000357054637 287203171 /nfs/dbraw/zinc/20/31/71/287203171.db2.gz UPJJYKYYPSVCIL-SNVBAGLBSA-N 1 1 311.342 0.121 20 5 DCBDMO C[C@@](O)(CNC(=O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000080896867 415479815 /nfs/dbraw/zinc/47/98/15/415479815.db2.gz PATTVILXWBDIGP-OAHLLOKOSA-N 1 1 323.349 0.408 20 5 DCBDMO COCCC[NH+]1CCC(NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000343325648 415558730 /nfs/dbraw/zinc/55/87/30/415558730.db2.gz YQHFEXNPPKADDG-UHFFFAOYSA-N 1 1 311.342 0.549 20 5 DCBDMO CC(C)N1C(=O)N[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000285351247 415610772 /nfs/dbraw/zinc/61/07/72/415610772.db2.gz AJSUMYREDSCLRV-OLZOCXBDSA-N 1 1 322.369 0.668 20 5 DCBDMO CC(C)N1C(=O)N[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000285351247 415610781 /nfs/dbraw/zinc/61/07/81/415610781.db2.gz AJSUMYREDSCLRV-OLZOCXBDSA-N 1 1 322.369 0.668 20 5 DCBDMO CN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C)C1 ZINC000343553359 415636076 /nfs/dbraw/zinc/63/60/76/415636076.db2.gz VXLLNXBZVFKLHQ-NSHDSACASA-N 1 1 308.338 0.309 20 5 DCBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000343574410 415642888 /nfs/dbraw/zinc/64/28/88/415642888.db2.gz QKYCZNLRXIJEGT-GFCCVEGCSA-N 1 1 322.365 0.747 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCO)C[C@H](C)O ZINC000289816487 415722982 /nfs/dbraw/zinc/72/29/82/415722982.db2.gz NXHXWCMKNRUYRB-NSHDSACASA-N 1 1 311.338 0.517 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCO)C[C@H](C)O ZINC000289816487 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ZINC000900859332 663288656 /nfs/dbraw/zinc/28/86/56/663288656.db2.gz YYKQURYXHYCRMB-WFASDCNBSA-N 1 1 307.350 0.709 20 5 DCBDMO CS(=O)(=O)NCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000035368233 664927244 /nfs/dbraw/zinc/92/72/44/664927244.db2.gz VSQADQNZYLSXPO-UHFFFAOYSA-N 1 1 307.759 0.887 20 5 DCBDMO O=[N+]([O-])c1cc(CO)c(N2CC[N@@H+]3CCOC[C@H]3C2)cc1F ZINC000865676412 667338338 /nfs/dbraw/zinc/33/83/38/667338338.db2.gz MXGHQZZJMIRMKM-LLVKDONJSA-N 1 1 311.313 0.747 20 5 DCBDMO O=[N+]([O-])c1cc(CO)c(N2CC[N@H+]3CCOC[C@H]3C2)cc1F ZINC000865676412 667338341 /nfs/dbraw/zinc/33/83/41/667338341.db2.gz MXGHQZZJMIRMKM-LLVKDONJSA-N 1 1 311.313 0.747 20 5 DCBDMO CN1C(=O)NCC12CC[NH+](Cc1cccnc1[N+](=O)[O-])CC2 ZINC000886251666 667746597 /nfs/dbraw/zinc/74/65/97/667746597.db2.gz IJZUBPRDUOLJQZ-UHFFFAOYSA-N 1 1 305.338 0.979 20 5 DCBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC3(C2)OCCO3)c1 ZINC000741779699 667776838 /nfs/dbraw/zinc/77/68/38/667776838.db2.gz ZYKSKHCYKVRGOD-ZDUSSCGKSA-N 1 1 324.333 0.783 20 5 DCBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC3(C2)OCCO3)c1 ZINC000741779699 667776840 /nfs/dbraw/zinc/77/68/40/667776840.db2.gz ZYKSKHCYKVRGOD-ZDUSSCGKSA-N 1 1 324.333 0.783 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000886830453 667804505 /nfs/dbraw/zinc/80/45/05/667804505.db2.gz RFPWXOBBMUXTPQ-YUTCNCBUSA-N 1 1 310.354 0.653 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000871987652 667863373 /nfs/dbraw/zinc/86/33/73/667863373.db2.gz UIVVCCAKXJPLHS-CQSZACIVSA-N 1 1 303.322 0.823 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000747232260 667898012 /nfs/dbraw/zinc/89/80/12/667898012.db2.gz VLICREXRJNZNHZ-ZYHUDNBSSA-N 1 1 308.338 0.526 20 5 DCBDMO C[N@H+]1CC[C@H](CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000126518297 668616611 /nfs/dbraw/zinc/61/66/11/668616611.db2.gz JBPZMJRHNOCHIJ-SECBINFHSA-N 1 1 317.342 0.964 20 5 DCBDMO COc1cccc(OCC[NH+]2CCN(CC[N+](=O)[O-])CC2)c1 ZINC000929843009 668916157 /nfs/dbraw/zinc/91/61/57/668916157.db2.gz DUFPZJPBEPRUIQ-UHFFFAOYSA-N 1 1 309.366 0.968 20 5 DCBDMO CN(CC(=O)N1CC[NH+](C)CC1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000879354899 669021346 /nfs/dbraw/zinc/02/13/46/669021346.db2.gz RAACMLWYRPSTNN-UHFFFAOYSA-N 1 1 324.356 0.940 20 5 DCBDMO CNC(=O)c1cc(O[C@H]2CCC[N@H+](CC[N+](=O)[O-])C2)ccn1 ZINC000930838133 669090961 /nfs/dbraw/zinc/09/09/61/669090961.db2.gz IISARHKMPAPMTF-LBPRGKRZSA-N 1 1 308.338 0.561 20 5 DCBDMO CNC(=O)c1cc(O[C@H]2CCC[N@@H+](CC[N+](=O)[O-])C2)ccn1 ZINC000930838133 669090967 /nfs/dbraw/zinc/09/09/67/669090967.db2.gz IISARHKMPAPMTF-LBPRGKRZSA-N 1 1 308.338 0.561 20 5 DCBDMO C[N@@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000931405396 669193885 /nfs/dbraw/zinc/19/38/85/669193885.db2.gz BDDVSURJXPOSHY-LLVKDONJSA-N 1 1 308.338 0.142 20 5 DCBDMO C[N@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000931405396 669193886 /nfs/dbraw/zinc/19/38/86/669193886.db2.gz BDDVSURJXPOSHY-LLVKDONJSA-N 1 1 308.338 0.142 20 5 DCBDMO Nc1nccc(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000847406550 670549253 /nfs/dbraw/zinc/54/92/53/670549253.db2.gz DBBZXTZVXQRVLL-ZJUUUORDSA-N 1 1 321.337 0.165 20 5 DCBDMO COC(=O)N(C)CC[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000852570320 671139836 /nfs/dbraw/zinc/13/98/36/671139836.db2.gz WEAYSRSPFRIUJR-UHFFFAOYSA-N 1 1 312.326 0.387 20 5 DCBDMO COCC[N@H+]1CCC[C@H]1COC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000861033872 671261255 /nfs/dbraw/zinc/26/12/55/671261255.db2.gz WPXUIJGGXSHRSD-NSHDSACASA-N 1 1 312.326 0.445 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000827278654 671520925 /nfs/dbraw/zinc/52/09/25/671520925.db2.gz XPSISBSLAUWGLJ-MWLCHTKSSA-N 1 1 306.322 0.862 20 5 DCBDMO CC(C)(CCC(=O)NC[C@H]1CCCC[N@H+]1CCO)[N+](=O)[O-] ZINC000833551417 671747936 /nfs/dbraw/zinc/74/79/36/671747936.db2.gz BNNZRBIAOGKJOA-GFCCVEGCSA-N 1 1 301.387 0.785 20 5 DCBDMO CC[NH+]1CCN(C(=O)CNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000844144325 672153026 /nfs/dbraw/zinc/15/30/26/672153026.db2.gz RRJJBUAQCXZBQX-UHFFFAOYSA-N 1 1 314.386 0.102 20 5 DCBDMO O=[N+]([O-])c1ccc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c([N+](=O)[O-])c1 ZINC000845721914 672271533 /nfs/dbraw/zinc/27/15/33/672271533.db2.gz ZDKVVDHQADZJHT-LLVKDONJSA-N 1 1 308.294 0.758 20 5 DCBDMO O=[N+]([O-])c1ccc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c([N+](=O)[O-])c1 ZINC000845721914 672271534 /nfs/dbraw/zinc/27/15/34/672271534.db2.gz ZDKVVDHQADZJHT-LLVKDONJSA-N 1 1 308.294 0.758 20 5 DCBDMO CC[C@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1O ZINC001590522017 1166932894 /nfs/dbraw/zinc/93/28/94/1166932894.db2.gz GBUOQOCNTFKIJC-ZANVPECISA-N 1 1 318.337 0.978 20 5 DCBDMO CC[C@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H]1O ZINC001590522016 1166934176 /nfs/dbraw/zinc/93/41/76/1166934176.db2.gz GBUOQOCNTFKIJC-TVQRCGJNSA-N 1 1 318.337 0.978 20 5 DCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H]1CO ZINC001593466812 1167857496 /nfs/dbraw/zinc/85/74/96/1167857496.db2.gz IEDHQLCOTMDTDX-LLVKDONJSA-N 1 1 304.310 0.732 20 5 DCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC001593467058 1167859800 /nfs/dbraw/zinc/85/98/00/1167859800.db2.gz LEEZCSNSZBPMHS-LBPRGKRZSA-N 1 1 316.321 0.732 20 5 DCBDMO O=[N+]([O-])c1cn(CCC[NH+]2CCCCC2)nc1-c1nn[nH]n1 ZINC001593487144 1167874098 /nfs/dbraw/zinc/87/40/98/1167874098.db2.gz WKPYTLQTWUEXJD-UHFFFAOYSA-N 1 1 306.330 0.847 20 5 DCBDMO COc1ccc(C(=O)CNC(=O)C2([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC001631864397 1171603405 /nfs/dbraw/zinc/60/34/05/1171603405.db2.gz UHFNJNFHENBHCQ-UHFFFAOYSA-N 1 1 321.333 0.997 20 5 DCBDMO Cc1n[nH]c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC001640128889 1171866790 /nfs/dbraw/zinc/86/67/90/1171866790.db2.gz YDCRZRDPQGPVCQ-GHMZBOCLSA-N 1 1 323.353 0.298 20 5 DCBDMO Cc1[nH]nc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1[N+](=O)[O-] ZINC001640128889 1171866799 /nfs/dbraw/zinc/86/67/99/1171866799.db2.gz YDCRZRDPQGPVCQ-GHMZBOCLSA-N 1 1 323.353 0.298 20 5 DCBDMO Cc1[nH]nc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC001640128889 1171866804 /nfs/dbraw/zinc/86/68/04/1171866804.db2.gz YDCRZRDPQGPVCQ-GHMZBOCLSA-N 1 1 323.353 0.298 20 5 DCBDMO COC[C@@]1(CO)CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001643116751 1171966374 /nfs/dbraw/zinc/96/63/74/1171966374.db2.gz CJIDQPORJCNLBI-CABCVRRESA-N 1 1 310.350 0.959 20 5 DCBDMO CC(C)c1[nH]nc(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001647773121 1173055715 /nfs/dbraw/zinc/05/57/15/1173055715.db2.gz NZGHOZSEZCCGKD-SECBINFHSA-N 1 1 323.353 0.644 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccnc(N)c3[N+](=O)[O-])[C@@H]2C1 ZINC001648175539 1173068469 /nfs/dbraw/zinc/06/84/69/1173068469.db2.gz UGGRIQGSNOMBNA-JMJZKYOTSA-N 1 1 305.338 0.642 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001648402125 1173074245 /nfs/dbraw/zinc/07/42/45/1173074245.db2.gz IVTSRODAEKZLFQ-GHMZBOCLSA-N 1 1 309.322 0.859 20 5 DCBDMO COC(=O)N[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001654749730 1173811344 /nfs/dbraw/zinc/81/13/44/1173811344.db2.gz GRGYNFQAHXUFQW-JTQLQIEISA-N 1 1 310.310 0.187 20 5 DCBDMO COC(=O)N[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001654749730 1173811349 /nfs/dbraw/zinc/81/13/49/1173811349.db2.gz GRGYNFQAHXUFQW-JTQLQIEISA-N 1 1 310.310 0.187 20 5 DCBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@H](c3nn[nH]n3)C2)cc1 ZINC001655439193 1173819967 /nfs/dbraw/zinc/81/99/67/1173819967.db2.gz JRRMSTAVPFSJMN-ZYHUDNBSSA-N 1 1 304.310 0.631 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCc3cc(O)ccc3C2)c1 ZINC001655922856 1173829922 /nfs/dbraw/zinc/82/99/22/1173829922.db2.gz WDVAKWPSZNVDJT-HNNXBMFYSA-N 1 1 318.333 0.916 20 5 DCBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(=O)N1CCOCC1 ZINC001657053384 1173903010 /nfs/dbraw/zinc/90/30/10/1173903010.db2.gz KKWWXMRTTHTSLU-UHFFFAOYSA-N 1 1 323.349 0.942 20 5 DCBDMO CNC(=O)NCC(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001663193358 1174273778 /nfs/dbraw/zinc/27/37/78/1174273778.db2.gz WBAZRPOBJVWMFY-UHFFFAOYSA-N 1 1 323.353 0.072 20 5 DCBDMO CN(CC[NH2+]CCn1cc(Cl)cn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001714702741 1181490636 /nfs/dbraw/zinc/49/06/36/1181490636.db2.gz DHLSZGMFTYJQPT-GHMZBOCLSA-N 1 1 315.761 0.250 20 5 DCBDMO CN(CCC[N@@H+](C)CCc1ccnn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001717207122 1182732418 /nfs/dbraw/zinc/73/24/18/1182732418.db2.gz XTSFYCJZNGBFRW-ZIAGYGMSSA-N 1 1 323.397 0.408 20 5 DCBDMO CN(CCC[N@H+](C)CCc1ccnn1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001717207122 1182732424 /nfs/dbraw/zinc/73/24/24/1182732424.db2.gz XTSFYCJZNGBFRW-ZIAGYGMSSA-N 1 1 323.397 0.408 20 5 DCBDMO CN(CCC[N@@H+](C)CCc1ccnn1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001717207122 1182732429 /nfs/dbraw/zinc/73/24/29/1182732429.db2.gz XTSFYCJZNGBFRW-ZIAGYGMSSA-N 1 1 323.397 0.408 20 5 DCBDMO CC[N@@H+](CCOC)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001717355320 1182799242 /nfs/dbraw/zinc/79/92/42/1182799242.db2.gz JCTNSMLYEMXUNR-ZIAGYGMSSA-N 1 1 313.398 0.859 20 5 DCBDMO CC[N@H+](CCOC)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001717355320 1182799245 /nfs/dbraw/zinc/79/92/45/1182799245.db2.gz JCTNSMLYEMXUNR-ZIAGYGMSSA-N 1 1 313.398 0.859 20 5 DCBDMO CC[N@@H+](CCOC)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001717355320 1182799248 /nfs/dbraw/zinc/79/92/48/1182799248.db2.gz JCTNSMLYEMXUNR-ZIAGYGMSSA-N 1 1 313.398 0.859 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C/C=C/CNC(=O)c1ccc[nH]1 ZINC001732823514 1185986152 /nfs/dbraw/zinc/98/61/52/1185986152.db2.gz RMRQWSSLAXDURS-NSCUHMNNSA-N 1 1 318.337 0.732 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(O)(C[NH2+]C/C=C/Cl)CC1 ZINC001733883314 1186485398 /nfs/dbraw/zinc/48/53/98/1186485398.db2.gz MFZWGRLBUWBYAT-HOXXMDGGSA-N 1 1 317.773 0.347 20 5 DCBDMO CC(C)C[NH+]1CCN(CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001753341789 1188567861 /nfs/dbraw/zinc/56/78/61/1188567861.db2.gz HELVUCSNEGMBMT-ZIAGYGMSSA-N 1 1 312.414 0.384 20 5 DCBDMO Cc1nc(N2CC[C@@H]3[C@H]2CC[N@H+]3CCN(C)C)ncc1[N+](=O)[O-] ZINC001164932863 721886528 /nfs/dbraw/zinc/88/65/28/721886528.db2.gz KDAPWALXYCRSHY-CHWSQXEVSA-N 1 1 320.397 0.908 20 5 DCBDMO Cc1nc(N2CC[C@@H]3[C@H]2CC[N@@H+]3CCN(C)C)ncc1[N+](=O)[O-] ZINC001164932863 721886529 /nfs/dbraw/zinc/88/65/29/721886529.db2.gz KDAPWALXYCRSHY-CHWSQXEVSA-N 1 1 320.397 0.908 20 5 DCBDMO CC(=O)NCCC[NH+]1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC001096243622 754505572 /nfs/dbraw/zinc/50/55/72/754505572.db2.gz ZUECSLGRDGHDKN-UHFFFAOYSA-N 1 1 321.381 0.946 20 5 DCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3cncs3)C[C@@H]2C1 ZINC001048814450 754957329 /nfs/dbraw/zinc/95/73/29/754957329.db2.gz LUWULQUTBCBRCV-LYIQGSDWSA-N 1 1 322.390 0.699 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3cncs3)C[C@@H]2C1 ZINC001048814450 754957331 /nfs/dbraw/zinc/95/73/31/754957331.db2.gz LUWULQUTBCBRCV-LYIQGSDWSA-N 1 1 322.390 0.699 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3cncs3)C[C@@H]2C1 ZINC001048814450 754957332 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CXYDIPOVQTYHPT-DOMZBBRYSA-N 1 1 318.377 0.942 20 5 DCBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC001138061490 766416972 /nfs/dbraw/zinc/41/69/72/766416972.db2.gz QWENQTYOPNXZFE-CQSZACIVSA-N 1 1 311.313 0.839 20 5 DCBDMO CC(=O)NCC(=O)NCCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001231268558 769212913 /nfs/dbraw/zinc/21/29/13/769212913.db2.gz FDMMEAJWGWINFT-UHFFFAOYSA-N 1 1 322.365 0.669 20 5 DCBDMO C[N@@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC001233618763 769410504 /nfs/dbraw/zinc/41/05/04/769410504.db2.gz BIINKTWRYRFUQY-JTQLQIEISA-N 1 1 315.351 0.715 20 5 DCBDMO C[N@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC001233618763 769410507 /nfs/dbraw/zinc/41/05/07/769410507.db2.gz BIINKTWRYRFUQY-JTQLQIEISA-N 1 1 315.351 0.715 20 5 DCBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(N2CCNC(=O)C2)C1 ZINC001173232802 769568268 /nfs/dbraw/zinc/56/82/68/769568268.db2.gz HYXYEFSPCRIZLI-LBPRGKRZSA-N 1 1 318.377 0.642 20 5 DCBDMO 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FUMBEMLCBCVLMY-CYBMUJFWSA-N 1 1 311.386 0.568 20 5 DCBDMO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ncnn1C ZINC000566123696 291272134 /nfs/dbraw/zinc/27/21/34/291272134.db2.gz CZTJNXRWSZRFJH-CMPLNLGQSA-N 1 1 321.337 0.814 20 5 DCBDMO CN1CC[N@@H+](C)C[C@H]1CNc1ccc([N+](=O)[O-])c2nonc21 ZINC000264752406 204129240 /nfs/dbraw/zinc/12/92/40/204129240.db2.gz MJMBBJYXEJTWOQ-SECBINFHSA-N 1 1 306.326 0.789 20 5 DCBDMO CN1CC[N@H+](C)[C@H](CNc2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000264752406 204129247 /nfs/dbraw/zinc/12/92/47/204129247.db2.gz MJMBBJYXEJTWOQ-SECBINFHSA-N 1 1 306.326 0.789 20 5 DCBDMO CN1CC[N@@H+](C)[C@H](CNc2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000264752406 204129249 /nfs/dbraw/zinc/12/92/49/204129249.db2.gz MJMBBJYXEJTWOQ-SECBINFHSA-N 1 1 306.326 0.789 20 5 DCBDMO CCNC(=O)NC(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282483158 217029468 /nfs/dbraw/zinc/02/94/68/217029468.db2.gz PAKOXAZAKUPZES-UHFFFAOYSA-N 1 1 308.338 0.915 20 5 DCBDMO CCNC(=O)NC(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282483158 217029470 /nfs/dbraw/zinc/02/94/70/217029470.db2.gz PAKOXAZAKUPZES-UHFFFAOYSA-N 1 1 308.338 0.915 20 5 DCBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCOCCO ZINC000282571126 217096538 /nfs/dbraw/zinc/09/65/38/217096538.db2.gz UEDWIKWJOHVFOU-NSHDSACASA-N 1 1 311.338 0.863 20 5 DCBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCOCCO ZINC000282571126 217096541 /nfs/dbraw/zinc/09/65/41/217096541.db2.gz UEDWIKWJOHVFOU-NSHDSACASA-N 1 1 311.338 0.863 20 5 DCBDMO CC(C)(C)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(N)=O ZINC000106444487 194214679 /nfs/dbraw/zinc/21/46/79/194214679.db2.gz WEVVGYLRIVDKDY-LLVKDONJSA-N 1 1 308.338 0.683 20 5 DCBDMO COCC[N@@H+](C)CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000339298216 253055658 /nfs/dbraw/zinc/05/56/58/253055658.db2.gz NMLWKIMEDKVINL-UHFFFAOYSA-N 1 1 313.358 0.221 20 5 DCBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)c1 ZINC000339416236 253081618 /nfs/dbraw/zinc/08/16/18/253081618.db2.gz ZCFSKKZYZNQWMO-LBPRGKRZSA-N 1 1 321.341 0.212 20 5 DCBDMO C[C@H]1C[C@H](O)C[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000340913767 253321462 /nfs/dbraw/zinc/32/14/62/253321462.db2.gz GVVMOECWYQITNJ-GWCFXTLKSA-N 1 1 305.334 0.939 20 5 DCBDMO C[C@H]1C[C@H](O)C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000340913767 253321464 /nfs/dbraw/zinc/32/14/64/253321464.db2.gz GVVMOECWYQITNJ-GWCFXTLKSA-N 1 1 305.334 0.939 20 5 DCBDMO COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000346695069 254083328 /nfs/dbraw/zinc/08/33/28/254083328.db2.gz YCVXWFFGKMNFEE-ADEWGFFLSA-N 1 1 312.326 0.036 20 5 DCBDMO C[C@H](CO)[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000351522203 254343181 /nfs/dbraw/zinc/34/31/81/254343181.db2.gz JFIPEOXAWTVVGY-RISCZKNCSA-N 1 1 312.370 0.778 20 5 DCBDMO COC(=O)[C@H]1CSCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000331390029 533506864 /nfs/dbraw/zinc/50/68/64/533506864.db2.gz AKTNDAAEZWYPPD-SNVBAGLBSA-N 1 1 314.367 0.629 20 5 DCBDMO CN1CCO[C@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000121110391 132152135 /nfs/dbraw/zinc/15/21/35/132152135.db2.gz JMGUUYSJIVSABL-GJZGRUSLSA-N 1 1 307.350 0.988 20 5 DCBDMO CNC(=O)NC(=O)CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606023 395707935 /nfs/dbraw/zinc/70/79/35/395707935.db2.gz ACMKHAMSGXJMSB-UHFFFAOYSA-N 1 1 306.322 0.799 20 5 DCBDMO CNC(=O)NC(=O)CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606023 395707937 /nfs/dbraw/zinc/70/79/37/395707937.db2.gz ACMKHAMSGXJMSB-UHFFFAOYSA-N 1 1 306.322 0.799 20 5 DCBDMO Cc1nn(C)c(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000108299996 395788027 /nfs/dbraw/zinc/78/80/27/395788027.db2.gz GSGAIKWVMVVCTL-NSHDSACASA-N 1 1 307.354 0.851 20 5 DCBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000114204058 395832808 /nfs/dbraw/zinc/83/28/08/395832808.db2.gz JQCYWHPHPYDLFV-SNVBAGLBSA-N 1 1 309.322 0.999 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](O)C1 ZINC000114470245 395834555 /nfs/dbraw/zinc/83/45/55/395834555.db2.gz FBDGARZAWDZJDU-NSHDSACASA-N 1 1 309.322 0.999 20 5 DCBDMO COc1ccc(OCC[N@@H+]2CC[C@H](NC(N)=O)C2)c([N+](=O)[O-])c1 ZINC000270620594 395790565 /nfs/dbraw/zinc/79/05/65/395790565.db2.gz JZDXWTXYCDISSW-JTQLQIEISA-N 1 1 324.337 0.725 20 5 DCBDMO COc1ccc(OCC[N@H+]2CC[C@H](NC(N)=O)C2)c([N+](=O)[O-])c1 ZINC000270620594 395790569 /nfs/dbraw/zinc/79/05/69/395790569.db2.gz JZDXWTXYCDISSW-JTQLQIEISA-N 1 1 324.337 0.725 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000272503935 395895575 /nfs/dbraw/zinc/89/55/75/395895575.db2.gz OBISSYSFQSMJDC-RYUDHWBXSA-N 1 1 307.354 0.652 20 5 DCBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000272537028 395898298 /nfs/dbraw/zinc/89/82/98/395898298.db2.gz BPTIEYOUOFZOMT-DGCLKSJQSA-N 1 1 307.354 0.734 20 5 DCBDMO CC[N@H+]1CCC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])nc2C)C1 ZINC000058273886 395952406 /nfs/dbraw/zinc/95/24/06/395952406.db2.gz QCFOKBVZGHGSSE-LBPRGKRZSA-N 1 1 309.370 0.948 20 5 DCBDMO C[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000150720541 395971323 /nfs/dbraw/zinc/97/13/23/395971323.db2.gz ZKNVDLLWTWHSCV-LLVKDONJSA-N 1 1 322.365 0.875 20 5 DCBDMO COCC[N@@H+](C)CCCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000063744537 395981269 /nfs/dbraw/zinc/98/12/69/395981269.db2.gz BFCKTMAGYOFODB-UHFFFAOYSA-N 1 1 310.354 0.875 20 5 DCBDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000261715163 396059578 /nfs/dbraw/zinc/05/95/78/396059578.db2.gz KYFKPRHQWDVJHW-NSHDSACASA-N 1 1 304.310 0.443 20 5 DCBDMO CC[N@@H+]1CCO[C@@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000174443248 396138014 /nfs/dbraw/zinc/13/80/14/396138014.db2.gz VQPHHJHDLWJHJE-CQSZACIVSA-N 1 1 322.365 0.844 20 5 DCBDMO CC[N@H+]1CCO[C@@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000174443248 396138020 /nfs/dbraw/zinc/13/80/20/396138020.db2.gz VQPHHJHDLWJHJE-CQSZACIVSA-N 1 1 322.365 0.844 20 5 DCBDMO C[N@H+](CCN1CCOCC1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000074290423 396162352 /nfs/dbraw/zinc/16/23/52/396162352.db2.gz VDCQRCGJTFJQGR-UHFFFAOYSA-N 1 1 322.365 0.458 20 5 DCBDMO C[N@@H+](CCN1CCOCC1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000074290423 396162353 /nfs/dbraw/zinc/16/23/53/396162353.db2.gz VDCQRCGJTFJQGR-UHFFFAOYSA-N 1 1 322.365 0.458 20 5 DCBDMO C[N@@H+](CCOCCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000282246723 396274976 /nfs/dbraw/zinc/27/49/76/396274976.db2.gz BVCHYPMHOCPLPF-GFCCVEGCSA-N 1 1 314.338 0.275 20 5 DCBDMO CN(CCC[NH+]1CCN(C)CC1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000264598984 396294419 /nfs/dbraw/zinc/29/44/19/396294419.db2.gz AZJWAMTVEGWNSO-UHFFFAOYSA-N 1 1 309.374 0.041 20 5 DCBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000269047695 396382763 /nfs/dbraw/zinc/38/27/63/396382763.db2.gz PFOBWPLDRNJFGF-MFKMUULPSA-N 1 1 322.369 0.573 20 5 DCBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC1(O)CCOCC1 ZINC000189776682 396398922 /nfs/dbraw/zinc/39/89/22/396398922.db2.gz OVVBVDOWODLMDF-UHFFFAOYSA-N 1 1 311.338 0.230 20 5 DCBDMO C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1CC(C)(C)O ZINC000189955033 396400821 /nfs/dbraw/zinc/40/08/21/396400821.db2.gz KYKBIGJJXDURSG-GFCCVEGCSA-N 1 1 311.386 0.568 20 5 DCBDMO COCCC[N@H+](C)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269263854 396401920 /nfs/dbraw/zinc/40/19/20/396401920.db2.gz BZPAVHWYQLWGOK-UHFFFAOYSA-N 1 1 311.338 0.999 20 5 DCBDMO COCCC[N@@H+](C)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269263854 396401922 /nfs/dbraw/zinc/40/19/22/396401922.db2.gz BZPAVHWYQLWGOK-UHFFFAOYSA-N 1 1 311.338 0.999 20 5 DCBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000372956097 396556319 /nfs/dbraw/zinc/55/63/19/396556319.db2.gz OOPWZRGBZXJSJN-NEPJUHHUSA-N 1 1 321.333 0.893 20 5 DCBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000373110614 396567117 /nfs/dbraw/zinc/56/71/17/396567117.db2.gz IWWKJUDCJJJXFA-QWRGUYRKSA-N 1 1 322.321 0.288 20 5 DCBDMO O=CN1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000294087090 396652602 /nfs/dbraw/zinc/65/26/02/396652602.db2.gz ATQJNMMDHKWGOH-ZDUSSCGKSA-N 1 1 323.349 0.499 20 5 DCBDMO O=C1CC[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)CC[C@@H]2N1 ZINC000595729891 396652964 /nfs/dbraw/zinc/65/29/64/396652964.db2.gz WEXZYUTZODICTK-YPMHNXCESA-N 1 1 320.349 0.357 20 5 DCBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCc3c[nH]nn3)C2)nc1 ZINC000595374503 396597487 /nfs/dbraw/zinc/59/74/87/396597487.db2.gz CXMWXESMOPNESO-NSHDSACASA-N 1 1 303.326 0.837 20 5 DCBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCc3cn[nH]n3)C2)nc1 ZINC000595374503 396597490 /nfs/dbraw/zinc/59/74/90/396597490.db2.gz CXMWXESMOPNESO-NSHDSACASA-N 1 1 303.326 0.837 20 5 DCBDMO Cc1noc(CN(C)CCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000595402075 396603683 /nfs/dbraw/zinc/60/36/83/396603683.db2.gz USEXEPCRMCHBTB-UHFFFAOYSA-N 1 1 311.386 0.961 20 5 DCBDMO Cc1noc(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000595463867 396612970 /nfs/dbraw/zinc/61/29/70/396612970.db2.gz BIBVKTZGYQEUQH-RYUDHWBXSA-N 1 1 321.337 0.833 20 5 DCBDMO Cc1noc(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000595463867 396612973 /nfs/dbraw/zinc/61/29/73/396612973.db2.gz BIBVKTZGYQEUQH-RYUDHWBXSA-N 1 1 321.337 0.833 20 5 DCBDMO C[N@H+]1CC[C@]2(C1)CCCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000595506437 396618948 /nfs/dbraw/zinc/61/89/48/396618948.db2.gz CHEYJHDBYCGYDQ-GJZGRUSLSA-N 1 1 323.397 0.570 20 5 DCBDMO COCC[N@@H+](C)C[C@@H](O)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000562945910 396687061 /nfs/dbraw/zinc/68/70/61/396687061.db2.gz CYXBVMCZQABLHY-CQSZACIVSA-N 1 1 311.382 0.966 20 5 DCBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588860074 396695710 /nfs/dbraw/zinc/69/57/10/396695710.db2.gz CIPDAIOHXNHRRZ-QWRGUYRKSA-N 1 1 320.349 0.458 20 5 DCBDMO C[C@H](C[NH+]1CCOCC1)N(C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596214055 396733273 /nfs/dbraw/zinc/73/32/73/396733273.db2.gz BOZSQMJEZLOMMZ-LLVKDONJSA-N 1 1 322.365 0.851 20 5 DCBDMO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596231944 396739298 /nfs/dbraw/zinc/73/92/98/396739298.db2.gz NEPHJPNTRRSPFJ-GHMZBOCLSA-N 1 1 308.338 0.995 20 5 DCBDMO NC(=O)c1cc(N[C@@H]2CCC[N@@H+](CCCO)C2)ccc1[N+](=O)[O-] ZINC000596250990 396744039 /nfs/dbraw/zinc/74/40/39/396744039.db2.gz WVIOOICAZFUFRG-GFCCVEGCSA-N 1 1 322.365 0.952 20 5 DCBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000611200263 396833794 /nfs/dbraw/zinc/83/37/94/396833794.db2.gz ZLOZPKCLKJBCST-NSHDSACASA-N 1 1 323.353 0.645 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000331639536 396873779 /nfs/dbraw/zinc/87/37/79/396873779.db2.gz PIEPCKZVRVHHBF-MNOVXSKESA-N 1 1 307.354 0.819 20 5 DCBDMO C[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000611528866 396881529 /nfs/dbraw/zinc/88/15/29/396881529.db2.gz OYLUBUGQWUJRIG-CABZTGNLSA-N 1 1 308.338 0.626 20 5 DCBDMO C[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000611528866 396881535 /nfs/dbraw/zinc/88/15/35/396881535.db2.gz OYLUBUGQWUJRIG-CABZTGNLSA-N 1 1 308.338 0.626 20 5 DCBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000378167555 397203488 /nfs/dbraw/zinc/20/34/88/397203488.db2.gz CBEOGNHYDIMPFQ-RYUDHWBXSA-N 1 1 322.369 0.717 20 5 DCBDMO CC(C)Oc1nc(N2CC[N@H+](C)C[C@H]2CO)ccc1[N+](=O)[O-] ZINC000601980452 397279718 /nfs/dbraw/zinc/27/97/18/397279718.db2.gz XQQKTGUINCMAQR-NSHDSACASA-N 1 1 310.354 0.890 20 5 DCBDMO CC(C)Oc1nc(N2CC[N@@H+](C)C[C@H]2CO)ccc1[N+](=O)[O-] ZINC000601980452 397279723 /nfs/dbraw/zinc/27/97/23/397279723.db2.gz XQQKTGUINCMAQR-NSHDSACASA-N 1 1 310.354 0.890 20 5 DCBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000599531498 397465849 /nfs/dbraw/zinc/46/58/49/397465849.db2.gz ZGIULKIXNISISF-SRVKXCTJSA-N 1 1 323.349 0.454 20 5 DCBDMO CC(=O)NC[C@H]1CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602768581 397480042 /nfs/dbraw/zinc/48/00/42/397480042.db2.gz KBKKEHXIGFBDAQ-CYBMUJFWSA-N 1 1 309.370 0.948 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(c2cnccn2)CC1 ZINC000602761836 397478934 /nfs/dbraw/zinc/47/89/34/397478934.db2.gz AZYQSLAGGYTXNC-UHFFFAOYSA-N 1 1 317.353 0.712 20 5 DCBDMO CC(=O)N1CC[C@@H](C[N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602794146 397487415 /nfs/dbraw/zinc/48/74/15/397487415.db2.gz GMUCXZMRGHTJNM-ZDUSSCGKSA-N 1 1 309.370 0.900 20 5 DCBDMO CC(=O)NC[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000599689299 397506038 /nfs/dbraw/zinc/50/60/38/397506038.db2.gz IRXHUEXNZQQLLH-ZDUSSCGKSA-N 1 1 322.365 0.747 20 5 DCBDMO C[N@@H+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](CO)C1 ZINC000602904668 397519216 /nfs/dbraw/zinc/51/92/16/397519216.db2.gz JJEZMSWWHQYBAZ-SNVBAGLBSA-N 1 1 301.293 0.981 20 5 DCBDMO C[N@H+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](CO)C1 ZINC000602904668 397519217 /nfs/dbraw/zinc/51/92/17/397519217.db2.gz JJEZMSWWHQYBAZ-SNVBAGLBSA-N 1 1 301.293 0.981 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000609352198 397772589 /nfs/dbraw/zinc/77/25/89/397772589.db2.gz PUWXITKBCSZCMS-LLVKDONJSA-N 1 1 323.353 0.003 20 5 DCBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)CN1CC[NH+](C)CC1 ZINC000330534027 159187629 /nfs/dbraw/zinc/18/76/29/159187629.db2.gz INMFKRLBTUCPDS-GFCCVEGCSA-N 1 1 323.397 0.547 20 5 DCBDMO NC(=O)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000367987632 159369460 /nfs/dbraw/zinc/36/94/60/159369460.db2.gz GLOTVNBQOJOCRQ-NWDGAFQWSA-N 1 1 323.349 0.532 20 5 DCBDMO CC[N@@H+](CCNC(=O)NCCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000150917602 287031040 /nfs/dbraw/zinc/03/10/40/287031040.db2.gz FYTPIOZBBBXHFT-UHFFFAOYSA-N 1 1 312.374 0.821 20 5 DCBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000331617284 415154304 /nfs/dbraw/zinc/15/43/04/415154304.db2.gz MYFKXLAEKDZNJN-MJBXVCDLSA-N 1 1 310.354 0.653 20 5 DCBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000331617284 415154313 /nfs/dbraw/zinc/15/43/13/415154313.db2.gz MYFKXLAEKDZNJN-MJBXVCDLSA-N 1 1 310.354 0.653 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000268235259 415181982 /nfs/dbraw/zinc/18/19/82/415181982.db2.gz NWOWYESAALVYBY-JOYOIKCWSA-N 1 1 307.354 0.699 20 5 DCBDMO CNC(=O)c1ccc(N2CC[NH+](C[C@H](C)O)CC2)c([N+](=O)[O-])c1 ZINC000275061332 415373353 /nfs/dbraw/zinc/37/33/53/415373353.db2.gz WHANWZWHZXAWSC-NSHDSACASA-N 1 1 322.365 0.457 20 5 DCBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000278083361 415481497 /nfs/dbraw/zinc/48/14/97/415481497.db2.gz HMTUGVOFYDUNCQ-KCJUWKMLSA-N 1 1 306.322 0.908 20 5 DCBDMO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC(O)C1 ZINC000353535337 415582336 /nfs/dbraw/zinc/58/23/36/415582336.db2.gz VOJKRDSGYVCVSV-UHFFFAOYSA-N 1 1 323.305 0.717 20 5 DCBDMO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC(O)C1 ZINC000353535337 415582338 /nfs/dbraw/zinc/58/23/38/415582338.db2.gz VOJKRDSGYVCVSV-UHFFFAOYSA-N 1 1 323.305 0.717 20 5 DCBDMO O=C(COc1cccc([N+](=O)[O-])c1)NCCC[NH+]1CCOCC1 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O=[N+]([O-])c1ccc2ncnc(NCC[N@@H+]3CC[C@@H](O)C3)c2c1 ZINC000599176807 416609764 /nfs/dbraw/zinc/60/97/64/416609764.db2.gz ZGNZTPBOONNGBC-LLVKDONJSA-N 1 1 303.322 1.017 20 5 DCBDMO O=[N+]([O-])c1ccc2ncnc(NCC[N@@H+]3CC[C@H](O)C3)c2c1 ZINC000599200171 416610378 /nfs/dbraw/zinc/61/03/78/416610378.db2.gz ZGNZTPBOONNGBC-NSHDSACASA-N 1 1 303.322 1.017 20 5 DCBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000425724111 416724181 /nfs/dbraw/zinc/72/41/81/416724181.db2.gz DUMYAUACKRNPSN-WCQYABFASA-N 1 1 322.369 0.527 20 5 DCBDMO CCC[C@@]1(CO)CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000444771150 416869186 /nfs/dbraw/zinc/86/91/86/416869186.db2.gz IESQXTFIBVANRA-KBPBESRZSA-N 1 1 312.370 0.779 20 5 DCBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CC[N@H+]1CC(C)(C)O ZINC000444545757 416848658 /nfs/dbraw/zinc/84/86/58/416848658.db2.gz LKKJSPKFHFVMQF-NSHDSACASA-N 1 1 324.381 0.851 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](O)C23CCCC3)c1 ZINC000433301483 417252541 /nfs/dbraw/zinc/25/25/41/417252541.db2.gz GGLWYIRUGWRRTH-QWHCGFSZSA-N 1 1 310.354 0.532 20 5 DCBDMO CCO[C@@H]1COC[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000451940861 417417715 /nfs/dbraw/zinc/41/77/15/417417715.db2.gz VYORMERFFDJPQQ-ZIAGYGMSSA-N 1 1 323.349 0.951 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)c1 ZINC000453010501 417517603 /nfs/dbraw/zinc/51/76/03/417517603.db2.gz GLZVRKZIRBDFMX-RBSFLKMASA-N 1 1 322.365 0.796 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)c1 ZINC000453010501 417517608 /nfs/dbraw/zinc/51/76/08/417517608.db2.gz GLZVRKZIRBDFMX-RBSFLKMASA-N 1 1 322.365 0.796 20 5 DCBDMO CNc1nccc(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000578246715 417682960 /nfs/dbraw/zinc/68/29/60/417682960.db2.gz ZFZXERWALBAADD-LBPRGKRZSA-N 1 1 321.381 1.444 20 5 DCBDMO CNc1nccc(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000578246715 417682964 /nfs/dbraw/zinc/68/29/64/417682964.db2.gz ZFZXERWALBAADD-LBPRGKRZSA-N 1 1 321.381 1.444 20 5 DCBDMO COC(=O)c1cnc(NC[C@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000354465353 261222885 /nfs/dbraw/zinc/22/28/85/261222885.db2.gz VLXBUJKBDFIQOJ-NSHDSACASA-N 1 1 323.353 0.434 20 5 DCBDMO COC(=O)c1cnc(NC[C@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000354465353 261222886 /nfs/dbraw/zinc/22/28/86/261222886.db2.gz VLXBUJKBDFIQOJ-NSHDSACASA-N 1 1 323.353 0.434 20 5 DCBDMO CC[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@H+]1CCOC ZINC000355939991 261377666 /nfs/dbraw/zinc/37/76/66/261377666.db2.gz YKKMZMZURSYFCK-LBPRGKRZSA-N 1 1 311.386 0.871 20 5 DCBDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000358044540 261619468 /nfs/dbraw/zinc/61/94/68/261619468.db2.gz NEYJWSDJDBUMBX-NSHDSACASA-N 1 1 311.342 0.018 20 5 DCBDMO C[N@@H+](CCCO)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421006068 262389745 /nfs/dbraw/zinc/38/97/45/262389745.db2.gz GSKHKYTVSFLLJC-UHFFFAOYSA-N 1 1 317.367 0.187 20 5 DCBDMO C[C@@H](O)C[N@H+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000174732136 274270937 /nfs/dbraw/zinc/27/09/37/274270937.db2.gz DEOFCKCHGTXLPD-GHMZBOCLSA-N 1 1 322.365 0.585 20 5 DCBDMO C[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000450794029 274363467 /nfs/dbraw/zinc/36/34/67/274363467.db2.gz RGYBLNJITHBPFG-PHIMTYICSA-N 1 1 322.365 0.585 20 5 DCBDMO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000264670061 523888940 /nfs/dbraw/zinc/88/89/40/523888940.db2.gz AMEQIQFCRHOJBK-LLVKDONJSA-N 1 1 310.329 0.710 20 5 DCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000264670061 523888944 /nfs/dbraw/zinc/88/89/44/523888944.db2.gz AMEQIQFCRHOJBK-LLVKDONJSA-N 1 1 310.329 0.710 20 5 DCBDMO C[C@H](O)C[NH+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000189691226 525756246 /nfs/dbraw/zinc/75/62/46/525756246.db2.gz CBNPNJPNYCRTQL-LBPRGKRZSA-N 1 1 307.350 0.662 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266214227 526713725 /nfs/dbraw/zinc/71/37/25/526713725.db2.gz KJQDLLALRQWZDP-NSHDSACASA-N 1 1 308.338 0.717 20 5 DCBDMO CC(C)[C@@H]1CN(C)CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000330993133 528744692 /nfs/dbraw/zinc/74/46/92/528744692.db2.gz STZMMYGPGPPWIV-KBPBESRZSA-N 1 1 311.386 0.424 20 5 DCBDMO CC(C)[C@@H]1C[N@H+](C)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000330993133 528744700 /nfs/dbraw/zinc/74/47/00/528744700.db2.gz STZMMYGPGPPWIV-KBPBESRZSA-N 1 1 311.386 0.424 20 5 DCBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000330993133 528744705 /nfs/dbraw/zinc/74/47/05/528744705.db2.gz STZMMYGPGPPWIV-KBPBESRZSA-N 1 1 311.386 0.424 20 5 DCBDMO CN1CCO[C@@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000121110556 536436716 /nfs/dbraw/zinc/43/67/16/536436716.db2.gz JMGUUYSJIVSABL-LSDHHAIUSA-N 1 1 307.350 0.988 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCOC[C@@H]2CC2CC2)c1 ZINC000933211070 658561078 /nfs/dbraw/zinc/56/10/78/658561078.db2.gz YTJJMRXCROQEEN-GXTWGEPZSA-N 1 1 310.354 0.653 20 5 DCBDMO CCc1nc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001022063693 658813980 /nfs/dbraw/zinc/81/39/80/658813980.db2.gz HNYMDQKGEITUIA-WRWGMCAJSA-N 1 1 322.365 0.947 20 5 DCBDMO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccns2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983656635 662001862 /nfs/dbraw/zinc/00/18/62/662001862.db2.gz FSJMFHWICGJKER-CNVPUSNMSA-N 1 1 310.379 0.793 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+](C)[C@@H](CO)C2)c1 ZINC000894885142 662027021 /nfs/dbraw/zinc/02/70/21/662027021.db2.gz OPFGDNXHHDYPNZ-LLVKDONJSA-N 1 1 309.322 0.494 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+](C)[C@@H](CO)C2)c1 ZINC000894885142 662027023 /nfs/dbraw/zinc/02/70/23/662027023.db2.gz OPFGDNXHHDYPNZ-LLVKDONJSA-N 1 1 309.322 0.494 20 5 DCBDMO C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896556075 662289982 /nfs/dbraw/zinc/28/99/82/662289982.db2.gz NZGFRICXEJZCJZ-YGRLFVJLSA-N 1 1 322.365 0.665 20 5 DCBDMO CCc1nn(C)c(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC000897222327 662405450 /nfs/dbraw/zinc/40/54/50/662405450.db2.gz UFDAVHGFNKLGHE-QWHCGFSZSA-N 1 1 323.397 0.926 20 5 DCBDMO C[N@@H+](CCO)CCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000899737599 663184522 /nfs/dbraw/zinc/18/45/22/663184522.db2.gz LOXGQUDVEGVTEM-UHFFFAOYSA-N 1 1 317.292 0.727 20 5 DCBDMO O=[N+]([O-])CC[NH2+]CCCCN1CCN(c2ncccn2)CC1 ZINC000905095939 663533120 /nfs/dbraw/zinc/53/31/20/663533120.db2.gz VGERRSASBNLBRM-UHFFFAOYSA-N 1 1 308.386 0.245 20 5 DCBDMO CN(CC(=O)N1CC[N@H+](C)C[C@H]1CO)c1ccccc1[N+](=O)[O-] ZINC000912743094 664218196 /nfs/dbraw/zinc/21/81/96/664218196.db2.gz OZVUEZHOBAATGF-LBPRGKRZSA-N 1 1 322.365 0.166 20 5 DCBDMO CN(CC(=O)N1CC[N@@H+](C)C[C@H]1CO)c1ccccc1[N+](=O)[O-] ZINC000912743094 664218198 /nfs/dbraw/zinc/21/81/98/664218198.db2.gz OZVUEZHOBAATGF-LBPRGKRZSA-N 1 1 322.365 0.166 20 5 DCBDMO C[N@@H+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000913556192 664619352 /nfs/dbraw/zinc/61/93/52/664619352.db2.gz SOACTEMIBRUVFI-HJHHMULASA-N 1 1 305.334 0.743 20 5 DCBDMO C[N@H+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000913556192 664619353 /nfs/dbraw/zinc/61/93/53/664619353.db2.gz SOACTEMIBRUVFI-HJHHMULASA-N 1 1 305.334 0.743 20 5 DCBDMO Cn1nccc1C[NH+]1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001001396771 666041643 /nfs/dbraw/zinc/04/16/43/666041643.db2.gz RKQHNXIFTWKYOE-ZIAGYGMSSA-N 1 1 321.381 0.414 20 5 DCBDMO Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)no1 ZINC000996430023 666790860 /nfs/dbraw/zinc/79/08/60/666790860.db2.gz YISGXRSUOSBVND-CHWSQXEVSA-N 1 1 308.338 0.729 20 5 DCBDMO Cc1cc(C(=O)NC2CC[NH+](CC(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000014482475 667114227 /nfs/dbraw/zinc/11/42/27/667114227.db2.gz SNKRIQMUPJUBHK-UHFFFAOYSA-N 1 1 320.349 0.583 20 5 DCBDMO COc1ccc(OCCN2CCNCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000923461640 667538298 /nfs/dbraw/zinc/53/82/98/667538298.db2.gz RKEJTGRROPUJQX-UHFFFAOYSA-N 1 1 324.381 0.477 20 5 DCBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCO)CCOCCO)cc1F ZINC000839194358 667736242 /nfs/dbraw/zinc/73/62/42/667736242.db2.gz MQGJIGBGTRQJFI-UHFFFAOYSA-N 1 1 302.302 0.537 20 5 DCBDMO O=[N+]([O-])c1ccc(C[N@H+](CCO)CCOCCO)cc1F ZINC000839194358 667736244 /nfs/dbraw/zinc/73/62/44/667736244.db2.gz MQGJIGBGTRQJFI-UHFFFAOYSA-N 1 1 302.302 0.537 20 5 DCBDMO Cn1c(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)ccc1[N+](=O)[O-] ZINC000889781725 667996371 /nfs/dbraw/zinc/99/63/71/667996371.db2.gz OIKVIZNNUJXIOK-NWDGAFQWSA-N 1 1 322.365 0.605 20 5 DCBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)NC ZINC000764200922 668438448 /nfs/dbraw/zinc/43/84/48/668438448.db2.gz CMZSWLAUBSLHME-UHFFFAOYSA-N 1 1 308.338 0.991 20 5 DCBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000928568929 668601445 /nfs/dbraw/zinc/60/14/45/668601445.db2.gz QBIFLLJTQOKPCJ-VIFPVBQESA-N 1 1 307.306 0.800 20 5 DCBDMO C[N@H+]1CC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000928568929 668601448 /nfs/dbraw/zinc/60/14/48/668601448.db2.gz QBIFLLJTQOKPCJ-VIFPVBQESA-N 1 1 307.306 0.800 20 5 DCBDMO COC(=O)[C@](C)(O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000779217964 668908479 /nfs/dbraw/zinc/90/84/79/668908479.db2.gz XGLRHIPPVVYRCP-OAHLLOKOSA-N 1 1 323.349 0.641 20 5 DCBDMO CC1(C)CC(=O)NCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000931207159 669157349 /nfs/dbraw/zinc/15/73/49/669157349.db2.gz SSMHQEYYRGUUJS-UHFFFAOYSA-N 1 1 308.338 0.357 20 5 DCBDMO CC1(C)CC(=O)NCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000931207159 669157371 /nfs/dbraw/zinc/15/73/71/669157371.db2.gz SSMHQEYYRGUUJS-UHFFFAOYSA-N 1 1 308.338 0.357 20 5 DCBDMO C[N@H+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H]1C(C)(C)C ZINC000880612418 669249143 /nfs/dbraw/zinc/24/91/43/669249143.db2.gz HEPFTTLIDKRAQF-NSHDSACASA-N 1 1 309.370 0.980 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000935313921 669706711 /nfs/dbraw/zinc/70/67/11/669706711.db2.gz AVRVZUCBCVSDMO-JTQLQIEISA-N 1 1 307.354 0.866 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000935398668 669717319 /nfs/dbraw/zinc/71/73/19/669717319.db2.gz TZVCBQFUMIOOAO-UHFFFAOYSA-N 1 1 307.354 0.868 20 5 DCBDMO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000817118362 670897194 /nfs/dbraw/zinc/89/71/94/670897194.db2.gz TXBHBPFKINABPR-WDEREUQCSA-N 1 1 320.349 0.969 20 5 DCBDMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825742397 671471189 /nfs/dbraw/zinc/47/11/89/671471189.db2.gz KWMHKERFDUOBCO-RISCZKNCSA-N 1 1 323.349 0.153 20 5 DCBDMO C[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000825979057 671476170 /nfs/dbraw/zinc/47/61/70/671476170.db2.gz ZDJBELBICQSUAG-GFCCVEGCSA-N 1 1 301.387 0.906 20 5 DCBDMO CC[N@@H+](CCO)CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000829551637 671579568 /nfs/dbraw/zinc/57/95/68/671579568.db2.gz MVBMUIRUSJXNLZ-ZDUSSCGKSA-N 1 1 311.338 0.059 20 5 DCBDMO C[N@@H+](CCO)CCNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000829749285 671586967 /nfs/dbraw/zinc/58/69/67/671586967.db2.gz HAWMNPXPIOVAIC-UHFFFAOYSA-N 1 1 313.329 0.707 20 5 DCBDMO C[C@H](O)C[N@H+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H](C)C1 ZINC000829911321 671595584 /nfs/dbraw/zinc/59/55/84/671595584.db2.gz VILKAKZONROWLT-NEPJUHHUSA-N 1 1 301.387 0.735 20 5 DCBDMO C[N@@H+](CCOC(=O)Cn1cnc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000837451932 671862687 /nfs/dbraw/zinc/86/26/87/671862687.db2.gz PBTWIKRSJVAUPW-UHFFFAOYSA-N 1 1 319.321 0.862 20 5 DCBDMO Cc1nc([N+](=O)[O-])c(-c2noc(C[NH2+]C[C@@H]3CCCO3)n2)n1C ZINC000843221644 672071635 /nfs/dbraw/zinc/07/16/35/672071635.db2.gz LEUIWSABDKDOFD-VIFPVBQESA-N 1 1 322.325 0.955 20 5 DCBDMO COc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001020139306 693709752 /nfs/dbraw/zinc/70/97/52/693709752.db2.gz XBAVMNPEAPISRG-FDYHWXHSSA-N 1 1 320.349 0.492 20 5 DCBDMO Cc1cc(C[N@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)on1 ZINC001072721307 694657046 /nfs/dbraw/zinc/65/70/46/694657046.db2.gz MGXWJNSOIVHRQP-CHWSQXEVSA-N 1 1 320.349 0.683 20 5 DCBDMO COc1c(O)ccc(CNCC[N@@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC001621473024 1171410066 /nfs/dbraw/zinc/41/00/66/1171410066.db2.gz AZTDWORROAFSRN-LLVKDONJSA-N 1 1 311.338 0.465 20 5 DCBDMO COc1c(O)ccc(CNCC[N@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC001621473024 1171410070 /nfs/dbraw/zinc/41/00/70/1171410070.db2.gz AZTDWORROAFSRN-LLVKDONJSA-N 1 1 311.338 0.465 20 5 DCBDMO Nc1ncc(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC001624812053 1171460927 /nfs/dbraw/zinc/46/09/27/1171460927.db2.gz MURLJOMKQPLPLP-QWRGUYRKSA-N 1 1 305.338 0.929 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)n1 ZINC001626953923 1171493691 /nfs/dbraw/zinc/49/36/91/1171493691.db2.gz HBQKSKPNFPCYRM-YPMHNXCESA-N 1 1 320.349 0.579 20 5 DCBDMO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC([NH2+]C2COC2)C1 ZINC001639675487 1171846377 /nfs/dbraw/zinc/84/63/77/1171846377.db2.gz VAJOEZLDVOATOD-UHFFFAOYSA-N 1 1 320.349 0.596 20 5 DCBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[C@H]1C[N@@H+](C)CCN1C ZINC001641305696 1171912187 /nfs/dbraw/zinc/91/21/87/1171912187.db2.gz CXTWCVUQILZNFD-BXKDBHETSA-N 1 1 323.353 0.060 20 5 DCBDMO NC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)F)CC[NH2+]1 ZINC001642022016 1171934932 /nfs/dbraw/zinc/93/49/32/1171934932.db2.gz UHWOYBUWYHAQHQ-SECBINFHSA-N 1 1 300.265 0.796 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NCCC[N@H+](C)CCN(C)C)n1 ZINC001642055040 1171936339 /nfs/dbraw/zinc/93/63/39/1171936339.db2.gz GWORDHUGAHGPBZ-UHFFFAOYSA-N 1 1 323.397 0.912 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NCCCN(C)CC[NH+](C)C)n1 ZINC001642055040 1171936346 /nfs/dbraw/zinc/93/63/46/1171936346.db2.gz GWORDHUGAHGPBZ-UHFFFAOYSA-N 1 1 323.397 0.912 20 5 DCBDMO O=[N+]([O-])c1cnc(NCC2([NH+]3CCOCC3)CCOCC2)nc1 ZINC001642775320 1171955451 /nfs/dbraw/zinc/95/54/51/1171955451.db2.gz JCIYMVFNDVSWMO-UHFFFAOYSA-N 1 1 323.353 0.678 20 5 DCBDMO C[C@@]1(CO)C[C@H](O)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001654291529 1173803976 /nfs/dbraw/zinc/80/39/76/1173803976.db2.gz VUNNSVHJYLXTKQ-NHYWBVRUSA-N 1 1 323.349 0.741 20 5 DCBDMO CNC(=O)NC[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC001655330874 1173817947 /nfs/dbraw/zinc/81/79/47/1173817947.db2.gz UTDKRWDITOQHDS-LLVKDONJSA-N 1 1 310.358 0.575 20 5 DCBDMO C[N@H+]1CC[C@@](O)(CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001662172456 1174184238 /nfs/dbraw/zinc/18/42/38/1174184238.db2.gz HUWZEQLDNJQIAJ-CYBMUJFWSA-N 1 1 312.301 0.922 20 5 DCBDMO O=C(C[NH+]1CCC(CO)CC1)NCc1ccccc1[N+](=O)[O-] ZINC000079993223 1174437013 /nfs/dbraw/zinc/43/70/13/1174437013.db2.gz JQYXDQKFMZEULA-UHFFFAOYSA-N 1 1 307.350 0.915 20 5 DCBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001672310048 1175098547 /nfs/dbraw/zinc/09/85/47/1175098547.db2.gz YGMBCWQQKQTAOM-SNVBAGLBSA-N 1 1 312.301 0.922 20 5 DCBDMO CN(CC[N@@H+](C)CCC1CCOCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001715820296 1182028241 /nfs/dbraw/zinc/02/82/41/1182028241.db2.gz VWUMVILRCZRDRW-ZIAGYGMSSA-N 1 1 313.398 0.859 20 5 DCBDMO CN(CC[N@H+](C)CCC1CCOCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001715820296 1182028245 /nfs/dbraw/zinc/02/82/45/1182028245.db2.gz VWUMVILRCZRDRW-ZIAGYGMSSA-N 1 1 313.398 0.859 20 5 DCBDMO CN(CC[N@@H+](C)CCC1CCOCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001715820296 1182028248 /nfs/dbraw/zinc/02/82/48/1182028248.db2.gz VWUMVILRCZRDRW-ZIAGYGMSSA-N 1 1 313.398 0.859 20 5 DCBDMO CCN(CC[NH2+]Cc1ccc(F)cn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001716217521 1182259779 /nfs/dbraw/zinc/25/97/79/1182259779.db2.gz VXWLFOBBFWVUGB-CHWSQXEVSA-N 1 1 310.329 0.824 20 5 DCBDMO Cc1cccnc1C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001716681493 1182493854 /nfs/dbraw/zinc/49/38/54/1182493854.db2.gz PYBGPTOWSYWIEZ-DGCLKSJQSA-N 1 1 304.350 0.794 20 5 DCBDMO CN(CC(C)(C)C[NH2+]Cc1cncn1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001725138922 1184692963 /nfs/dbraw/zinc/69/29/63/1184692963.db2.gz AHNDXXSXBHSGAE-CHWSQXEVSA-N 1 1 323.397 0.660 20 5 DCBDMO CC(=O)NCC(=O)N(C)CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001732577310 1185855890 /nfs/dbraw/zinc/85/58/90/1185855890.db2.gz RCZKHAAQRZIUEV-UHFFFAOYSA-N 1 1 322.365 0.621 20 5 DCBDMO CC(=O)NCC(=O)N(C)CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001732577310 1185855896 /nfs/dbraw/zinc/85/58/96/1185855896.db2.gz RCZKHAAQRZIUEV-UHFFFAOYSA-N 1 1 322.365 0.621 20 5 DCBDMO Cc1nc(N2CC[C@@H]3[C@@H]2CC[N@H+]3CCN(C)C)ncc1[N+](=O)[O-] ZINC001164932864 721886464 /nfs/dbraw/zinc/88/64/64/721886464.db2.gz KDAPWALXYCRSHY-OLZOCXBDSA-N 1 1 320.397 0.908 20 5 DCBDMO Cc1nc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3CCN(C)C)ncc1[N+](=O)[O-] ZINC001164932864 721886466 /nfs/dbraw/zinc/88/64/66/721886466.db2.gz KDAPWALXYCRSHY-OLZOCXBDSA-N 1 1 320.397 0.908 20 5 DCBDMO CCOC(=O)c1cc(-n2cnc(C[NH3+])cc2=N)ccc1[N+](=O)[O-] ZINC001167362014 747134386 /nfs/dbraw/zinc/13/43/86/747134386.db2.gz JQFVVEDPUXAAEN-UHFFFAOYSA-N 1 1 317.305 0.895 20 5 DCBDMO O=C(NC[C@H]1C[C@@H]([NH2+]CCc2ccns2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086084605 759693934 /nfs/dbraw/zinc/69/39/34/759693934.db2.gz XTMIEKTXEAMZHB-LYIQGSDWSA-N 1 1 324.406 0.835 20 5 DCBDMO O=C(Cn1cc([N+](=O)[O-])cn1)O[C@H]1C[C@@H]([NH+]2CCOCC2)C1 ZINC001123008851 767914359 /nfs/dbraw/zinc/91/43/59/767914359.db2.gz UPSKDAWDUXXAQH-KLPPZKSPSA-N 1 1 310.310 0.198 20 5 DCBDMO COC(=O)[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCOCC1 ZINC001168967895 760534302 /nfs/dbraw/zinc/53/43/02/760534302.db2.gz UKAAWMCTUPPXDO-RTXFEEFZSA-N 1 1 300.355 0.990 20 5 DCBDMO COC(=O)[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCN1C(C)=O ZINC001169054885 760564645 /nfs/dbraw/zinc/56/46/45/760564645.db2.gz NZKHDKGUSSDEMH-UPJWGTAASA-N 1 1 313.354 0.138 20 5 DCBDMO Cc1[nH+]ccn1CC(=O)NCCN(C)c1ncccc1[N+](=O)[O-] ZINC001100127273 763336770 /nfs/dbraw/zinc/33/67/70/763336770.db2.gz DPQBNGQCXIXFQC-UHFFFAOYSA-N 1 1 318.337 0.747 20 5 DCBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001133923445 765233946 /nfs/dbraw/zinc/23/39/46/765233946.db2.gz LXFXRCGIOQFJLY-LBPRGKRZSA-N 1 1 316.321 0.609 20 5 DCBDMO C[N@H+]1CC[C@H]1CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001133923445 765233950 /nfs/dbraw/zinc/23/39/50/765233950.db2.gz LXFXRCGIOQFJLY-LBPRGKRZSA-N 1 1 316.321 0.609 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)C1=COCCC1 ZINC001124656822 768278587 /nfs/dbraw/zinc/27/85/87/768278587.db2.gz YMSCLFZIRRTIEP-UHFFFAOYSA-N 1 1 309.326 0.228 20 5 DCBDMO Cc1nn(C)c(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC001120071349 766893908 /nfs/dbraw/zinc/89/39/08/766893908.db2.gz SQKVQBIKQDDWGF-NEPJUHHUSA-N 1 1 309.370 0.672 20 5 DCBDMO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001121697598 767622287 /nfs/dbraw/zinc/62/22/87/767622287.db2.gz CUDRYGULWJUHSS-WDEREUQCSA-N 1 1 310.358 0.157 20 5 DCBDMO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001121697598 767622292 /nfs/dbraw/zinc/62/22/92/767622292.db2.gz CUDRYGULWJUHSS-WDEREUQCSA-N 1 1 310.358 0.157 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cnc3N)CC[C@H]21 ZINC001171814595 769383107 /nfs/dbraw/zinc/38/31/07/769383107.db2.gz KHFHIZLMXDNCOI-BXKDBHETSA-N 1 1 305.338 0.738 20 5 DCBDMO C[N@@H+](CCCNC(=O)CNC(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001233705485 769430722 /nfs/dbraw/zinc/43/07/22/769430722.db2.gz JCWDNSMFWDXBHM-UHFFFAOYSA-N 1 1 323.353 0.201 20 5 DCBDMO C[N@@H+](CCO)CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001155244857 770447785 /nfs/dbraw/zinc/44/77/85/770447785.db2.gz OHZUYHXKGRJFOD-UHFFFAOYSA-N 1 1 310.354 0.437 20 5 DCBDMO C[N@H+]1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C(C)(C)C1 ZINC001178709644 770846057 /nfs/dbraw/zinc/84/60/57/770846057.db2.gz QURSFDJGAOSVBA-NSHDSACASA-N 1 1 308.338 0.213 20 5 DCBDMO O=C(NCCC[NH2+]Cc1cc2n(n1)CCC2)[C@@H]1CC1[N+](=O)[O-] ZINC001157767010 771666024 /nfs/dbraw/zinc/66/60/24/771666024.db2.gz DBKKEKIAWYIQAS-CHWSQXEVSA-N 1 1 307.354 0.090 20 5 DCBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001162249465 772347576 /nfs/dbraw/zinc/34/75/76/772347576.db2.gz QWAYCPITESEBIP-NXEZZACHSA-N 1 1 323.353 0.099 20 5 DCBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001162249465 772347581 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IRQPDHOSIDLTPY-RWMBFGLXSA-N 1 1 321.381 0.946 20 5 DCBDMO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC001347858123 954173931 /nfs/dbraw/zinc/17/39/31/954173931.db2.gz YLSMSCFRMCSPOQ-SNVBAGLBSA-N 1 1 309.326 0.301 20 5 DCBDMO COC(=O)c1cnc(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001307122682 956927998 /nfs/dbraw/zinc/92/79/98/956927998.db2.gz PBJLIGVPTNIPMF-SKDRFNHKSA-N 1 1 306.322 0.917 20 5 DCBDMO O=C(C[NH+]1CCC(CO)CC1)NCc1ccc([N+](=O)[O-])cc1 ZINC001357810938 957386066 /nfs/dbraw/zinc/38/60/66/957386066.db2.gz FOWNYMHGLYUKLQ-UHFFFAOYSA-N 1 1 307.350 0.915 20 5 DCBDMO Cn1cc(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)c([N+](=O)[O-])n1 ZINC001308141700 960167158 /nfs/dbraw/zinc/16/71/58/960167158.db2.gz QOMOCSGZXMZEEZ-LLVKDONJSA-N 1 1 303.326 0.805 20 5 DCBDMO Cn1cc(C[N@H+]2CC[C@@H](Nc3ncccn3)C2)c([N+](=O)[O-])n1 ZINC001308141700 960167164 /nfs/dbraw/zinc/16/71/64/960167164.db2.gz QOMOCSGZXMZEEZ-LLVKDONJSA-N 1 1 303.326 0.805 20 5 DCBDMO 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CNC(=O)CC[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000170782821 396098025 /nfs/dbraw/zinc/09/80/25/396098025.db2.gz JKGHMEKKBXLHGL-LBPRGKRZSA-N 1 1 311.338 0.402 20 5 DCBDMO COCC[N@@H+](C)CCCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000175976279 396147996 /nfs/dbraw/zinc/14/79/96/396147996.db2.gz IBEHZUHGVNBNJT-UHFFFAOYSA-N 1 1 310.354 0.875 20 5 DCBDMO C[C@]([NH2+]CCn1ccc([N+](=O)[O-])n1)(C(N)=O)c1ccccc1 ZINC000176221946 396151387 /nfs/dbraw/zinc/15/13/87/396151387.db2.gz RAVFAXXMVHAYEL-CQSZACIVSA-N 1 1 303.322 0.782 20 5 DCBDMO Cc1nn(C)c(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000177169540 396168138 /nfs/dbraw/zinc/16/81/38/396168138.db2.gz XNPVEWNWEJCHAL-WCBMZHEXSA-N 1 1 307.354 0.992 20 5 DCBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269677049 396435331 /nfs/dbraw/zinc/43/53/31/396435331.db2.gz HJDJNQSXUQSHPP-LBPRGKRZSA-N 1 1 322.365 0.747 20 5 DCBDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000290649468 396468438 /nfs/dbraw/zinc/46/84/38/396468438.db2.gz FGQJLEOBVBHOGW-LLVKDONJSA-N 1 1 312.374 0.819 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000372155308 396492667 /nfs/dbraw/zinc/49/26/67/396492667.db2.gz KAIJSFSXEGJTQV-YRGRVCCFSA-N 1 1 310.354 0.511 20 5 DCBDMO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000594965420 396541248 /nfs/dbraw/zinc/54/12/48/396541248.db2.gz HVJRBZSTANTHMF-DGCLKSJQSA-N 1 1 314.363 0.805 20 5 DCBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000373110613 396567438 /nfs/dbraw/zinc/56/74/38/396567438.db2.gz IWWKJUDCJJJXFA-MNOVXSKESA-N 1 1 322.321 0.288 20 5 DCBDMO COCCn1nnc2c1CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000293270352 396596939 /nfs/dbraw/zinc/59/69/39/396596939.db2.gz NIVWOJXKLNFZMH-UHFFFAOYSA-N 1 1 321.341 0.088 20 5 DCBDMO COCCn1nnc2c1CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000293270352 396596942 /nfs/dbraw/zinc/59/69/42/396596942.db2.gz NIVWOJXKLNFZMH-UHFFFAOYSA-N 1 1 321.341 0.088 20 5 DCBDMO C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000596168791 396727105 /nfs/dbraw/zinc/72/71/05/396727105.db2.gz XJDDEEDJQWXQTP-ZANVPECISA-N 1 1 308.338 0.825 20 5 DCBDMO C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000596168791 396727107 /nfs/dbraw/zinc/72/71/07/396727107.db2.gz XJDDEEDJQWXQTP-ZANVPECISA-N 1 1 308.338 0.825 20 5 DCBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H](O)C1 ZINC000304219947 396728106 /nfs/dbraw/zinc/72/81/06/396728106.db2.gz IKIJBNYVDUOJNZ-NSHDSACASA-N 1 1 307.306 0.959 20 5 DCBDMO C[C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)[NH+]1CCN(C)CC1 ZINC000596104784 396717447 /nfs/dbraw/zinc/71/74/47/396717447.db2.gz NGBVUZPHCCBQHK-NSHDSACASA-N 1 1 321.381 0.742 20 5 DCBDMO CCN1CC[NH+]([C@H]2CCN(c3ccc(N)c([N+](=O)[O-])n3)C2)CC1 ZINC000596119944 396719889 /nfs/dbraw/zinc/71/98/89/396719889.db2.gz BRARUNQXGMTPNZ-LBPRGKRZSA-N 1 1 320.397 0.788 20 5 DCBDMO COc1ccc(CN(C)CCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000316208331 396794652 /nfs/dbraw/zinc/79/46/52/396794652.db2.gz XTYNNUYWPGFTTC-UHFFFAOYSA-N 1 1 308.382 0.940 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000611100909 396816976 /nfs/dbraw/zinc/81/69/76/396816976.db2.gz PXQCRMLBKCIJRM-NSHDSACASA-N 1 1 322.369 0.247 20 5 DCBDMO COc1cccc(C(=O)NCC[N@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000600808141 396945816 /nfs/dbraw/zinc/94/58/16/396945816.db2.gz JQZADMLAZBWYBL-JTQLQIEISA-N 1 1 309.322 0.400 20 5 DCBDMO CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3c[nH]nc3[N+](=O)[O-])C2)CC1 ZINC000619787686 397192633 /nfs/dbraw/zinc/19/26/33/397192633.db2.gz YWKGSEQQRDZNBA-SNVBAGLBSA-N 1 1 322.369 0.216 20 5 DCBDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)c3c[nH]nc3[N+](=O)[O-])C2)CC1 ZINC000619787686 397192639 /nfs/dbraw/zinc/19/26/39/397192639.db2.gz YWKGSEQQRDZNBA-SNVBAGLBSA-N 1 1 322.369 0.216 20 5 DCBDMO COC(=O)c1ccnc(N2CC[NH+](CCCO)CC2)c1[N+](=O)[O-] ZINC000598593225 397254118 /nfs/dbraw/zinc/25/41/18/397254118.db2.gz QUMUWPQKBFMBGR-UHFFFAOYSA-N 1 1 324.337 0.281 20 5 DCBDMO C[N@H+]1CC[C@@](O)(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593604649 397406539 /nfs/dbraw/zinc/40/65/39/397406539.db2.gz CYANVVGOHYVEIE-CQSZACIVSA-N 1 1 311.313 0.459 20 5 DCBDMO COc1c(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000593855642 397457770 /nfs/dbraw/zinc/45/77/70/397457770.db2.gz MASRJNUVJPGDCS-LLVKDONJSA-N 1 1 321.333 0.494 20 5 DCBDMO COc1c(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000593855642 397457776 /nfs/dbraw/zinc/45/77/76/397457776.db2.gz MASRJNUVJPGDCS-LLVKDONJSA-N 1 1 321.333 0.494 20 5 DCBDMO CN(CC(=O)N1CC[NH+](C)CC1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000602989376 397543299 /nfs/dbraw/zinc/54/32/99/397543299.db2.gz NFONWVRHZCITAX-UHFFFAOYSA-N 1 1 324.356 0.940 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000609571094 397782858 /nfs/dbraw/zinc/78/28/58/397782858.db2.gz YJCMSFHPTMZFLT-LLVKDONJSA-N 1 1 308.386 0.909 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000609571094 397782859 /nfs/dbraw/zinc/78/28/59/397782859.db2.gz YJCMSFHPTMZFLT-LLVKDONJSA-N 1 1 308.386 0.909 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](N3CCCC3)C2)c1 ZINC000075685406 158061645 /nfs/dbraw/zinc/06/16/45/158061645.db2.gz NQMXFXIBJLVZKU-GXTWGEPZSA-N 1 1 309.370 0.322 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](N3CCCC3)C2)c1 ZINC000075685406 158061646 /nfs/dbraw/zinc/06/16/46/158061646.db2.gz NQMXFXIBJLVZKU-GXTWGEPZSA-N 1 1 309.370 0.322 20 5 DCBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH2+][C@H](C)C1 ZINC000088059586 158092904 /nfs/dbraw/zinc/09/29/04/158092904.db2.gz RNBYTALDWDFGNB-SECBINFHSA-N 1 1 315.351 0.586 20 5 DCBDMO O=C(C1CC1)N1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000121611051 158212569 /nfs/dbraw/zinc/21/25/69/158212569.db2.gz ZWLZFTBJSONBDB-UHFFFAOYSA-N 1 1 307.354 0.736 20 5 DCBDMO O=C(C1CC1)N1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000121611051 158212570 /nfs/dbraw/zinc/21/25/70/158212570.db2.gz ZWLZFTBJSONBDB-UHFFFAOYSA-N 1 1 307.354 0.736 20 5 DCBDMO NC(=O)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000367987633 159368868 /nfs/dbraw/zinc/36/88/68/159368868.db2.gz GLOTVNBQOJOCRQ-RYUDHWBXSA-N 1 1 323.349 0.532 20 5 DCBDMO NC(=O)C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000367990418 159369006 /nfs/dbraw/zinc/36/90/06/159369006.db2.gz WBENTIUZPAEHFA-SNVBAGLBSA-N 1 1 306.322 0.731 20 5 DCBDMO NC(=O)C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000367990418 159369008 /nfs/dbraw/zinc/36/90/08/159369008.db2.gz WBENTIUZPAEHFA-SNVBAGLBSA-N 1 1 306.322 0.731 20 5 DCBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000268248067 415180881 /nfs/dbraw/zinc/18/08/81/415180881.db2.gz WKMVYUJICMHWPW-PRHODGIISA-N 1 1 306.322 0.908 20 5 DCBDMO C[C@@H]1C[C@@H](N2CCCC2)C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352814864 415334328 /nfs/dbraw/zinc/33/43/28/415334328.db2.gz KCMQXOMBSNCVKQ-UMVBOHGHSA-N 1 1 323.397 0.711 20 5 DCBDMO C[C@@H]1C[C@@H](N2CCCC2)C[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352814864 415334337 /nfs/dbraw/zinc/33/43/37/415334337.db2.gz KCMQXOMBSNCVKQ-UMVBOHGHSA-N 1 1 323.397 0.711 20 5 DCBDMO C[N@H+]1CCO[C@@H]2CN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000153134719 415977736 /nfs/dbraw/zinc/97/77/36/415977736.db2.gz CQZYWBGZKMRVMH-QWHCGFSZSA-N 1 1 306.322 0.213 20 5 DCBDMO NC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CC[NH2+]1 ZINC000298166469 415993503 /nfs/dbraw/zinc/99/35/03/415993503.db2.gz WHZYEIYCLODGEB-SNVBAGLBSA-N 1 1 301.306 0.407 20 5 DCBDMO C[N@@H+](CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000344831824 415994521 /nfs/dbraw/zinc/99/45/21/415994521.db2.gz RUKHBTVZLXGTFT-UHFFFAOYSA-N 1 1 306.322 0.744 20 5 DCBDMO Cc1n[nH]c(C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000261915194 416335846 /nfs/dbraw/zinc/33/58/46/416335846.db2.gz IAONFTKLUSFWGE-LLVKDONJSA-N 1 1 316.321 0.808 20 5 DCBDMO Cc1[nH]nc(C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000261915194 416335847 /nfs/dbraw/zinc/33/58/47/416335847.db2.gz IAONFTKLUSFWGE-LLVKDONJSA-N 1 1 316.321 0.808 20 5 DCBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000264571238 416339278 /nfs/dbraw/zinc/33/92/78/416339278.db2.gz SIIVQHDUKVXGRS-CYBMUJFWSA-N 1 1 320.349 0.664 20 5 DCBDMO Cn1cc[nH+]c1N1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000360753635 416408001 /nfs/dbraw/zinc/40/80/01/416408001.db2.gz JFLDFFNUJAGAGO-UHFFFAOYSA-N 1 1 319.325 0.024 20 5 DCBDMO C[N@H+]1CCC[C@@H](CCNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000458556828 416481074 /nfs/dbraw/zinc/48/10/74/416481074.db2.gz KPCBQRFPPOYIFN-LBPRGKRZSA-N 1 1 324.385 0.822 20 5 DCBDMO C[C@H]1C[C@@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000548092005 416684817 /nfs/dbraw/zinc/68/48/17/416684817.db2.gz USXOBNPOJAUOPD-DTWKUNHWSA-N 1 1 305.338 0.927 20 5 DCBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000518948661 416883605 /nfs/dbraw/zinc/88/36/05/416883605.db2.gz WVIYBMTZGBMTKW-UHFFFAOYSA-N 1 1 323.397 0.643 20 5 DCBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000427691266 416836432 /nfs/dbraw/zinc/83/64/32/416836432.db2.gz WXKVQKMGXGLVQO-AWEZNQCLSA-N 1 1 309.322 0.400 20 5 DCBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000565433089 416977706 /nfs/dbraw/zinc/97/77/06/416977706.db2.gz ISJVVGVKFJTXMU-SNVBAGLBSA-N 1 1 323.353 0.643 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000525292370 417135068 /nfs/dbraw/zinc/13/50/68/417135068.db2.gz NUHIIXVTRIPKPN-LLVKDONJSA-N 1 1 309.370 0.948 20 5 DCBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@H]3COCCO3)C2)nc1 ZINC000450556812 417239496 /nfs/dbraw/zinc/23/94/96/417239496.db2.gz BDLOSZHEANVXKH-YPMHNXCESA-N 1 1 308.338 0.891 20 5 DCBDMO NC(=O)c1ccc(NC[C@@H]2CCC[N@H+]2CCCO)c([N+](=O)[O-])c1 ZINC000450594799 417242471 /nfs/dbraw/zinc/24/24/71/417242471.db2.gz KVUUPLHKMCEKSW-LBPRGKRZSA-N 1 1 322.365 0.952 20 5 DCBDMO CO[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000451754524 417393897 /nfs/dbraw/zinc/39/38/97/417393897.db2.gz CEFNWXGKGXMCNQ-MPKXVKKWSA-N 1 1 312.322 0.026 20 5 DCBDMO CCN1CCN(CC(C)(C)[NH2+]CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000451982748 417427644 /nfs/dbraw/zinc/42/76/44/417427644.db2.gz JZMWYLVSBVUVPY-UHFFFAOYSA-N 1 1 324.429 0.797 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCCc3c[nH]nc32)c1 ZINC000576220124 417590955 /nfs/dbraw/zinc/59/09/55/417590955.db2.gz DGLFLEGXYKUWPW-VXGBXAGGSA-N 1 1 306.326 0.543 20 5 DCBDMO O=C1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2(CCC2)C1 ZINC000576477325 417614273 /nfs/dbraw/zinc/61/42/73/417614273.db2.gz VEVRUAZOASGBBR-CYBMUJFWSA-N 1 1 308.338 0.740 20 5 DCBDMO O=C1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2(CCC2)C1 ZINC000576477325 417614276 /nfs/dbraw/zinc/61/42/76/417614276.db2.gz VEVRUAZOASGBBR-CYBMUJFWSA-N 1 1 308.338 0.740 20 5 DCBDMO COC(=O)C(C)(C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000440313478 287398219 /nfs/dbraw/zinc/39/82/19/287398219.db2.gz HBAXEJBOIMAGRB-SNVBAGLBSA-N 1 1 300.315 0.036 20 5 DCBDMO COC(=O)C(C)(C)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000440313478 287398222 /nfs/dbraw/zinc/39/82/22/287398222.db2.gz HBAXEJBOIMAGRB-SNVBAGLBSA-N 1 1 300.315 0.036 20 5 DCBDMO CNc1nccc(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000576716548 417632118 /nfs/dbraw/zinc/63/21/18/417632118.db2.gz VKIAWSIZUZFZKE-JTQLQIEISA-N 1 1 309.370 1.490 20 5 DCBDMO CNc1nccc(C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000578246714 417683539 /nfs/dbraw/zinc/68/35/39/417683539.db2.gz ZFZXERWALBAADD-GFCCVEGCSA-N 1 1 321.381 1.444 20 5 DCBDMO CNc1nccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000578246714 417683542 /nfs/dbraw/zinc/68/35/42/417683542.db2.gz ZFZXERWALBAADD-GFCCVEGCSA-N 1 1 321.381 1.444 20 5 DCBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000457110100 417691001 /nfs/dbraw/zinc/69/10/01/417691001.db2.gz HUCBAKJGFKXOBB-LBPRGKRZSA-N 1 1 322.365 0.698 20 5 DCBDMO CNc1nccc(C(=O)NCC[N@@H+]2CC=C(C)CC2)c1[N+](=O)[O-] ZINC000577744631 417680029 /nfs/dbraw/zinc/68/00/29/417680029.db2.gz RQSUQYQFWPVHNJ-UHFFFAOYSA-N 1 1 319.365 1.413 20 5 DCBDMO CC(C)C[C@@H]1COCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304315450 261173328 /nfs/dbraw/zinc/17/33/28/261173328.db2.gz ODAWVJVYDRJNBS-TZMCWYRMSA-N 1 1 312.370 0.899 20 5 DCBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H]1C ZINC000354421191 261217489 /nfs/dbraw/zinc/21/74/89/261217489.db2.gz FFZXSRDNIZCHBE-GHMZBOCLSA-N 1 1 310.358 0.518 20 5 DCBDMO COc1ccc(OCC[N@H+]2C[C@@H](O)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000459714467 272006731 /nfs/dbraw/zinc/00/67/31/272006731.db2.gz UTLCUDQKPDSKGJ-GXFFZTMASA-N 1 1 312.322 0.267 20 5 DCBDMO CO[C@@H]1COC[C@H]1[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000516648592 272440879 /nfs/dbraw/zinc/44/08/79/272440879.db2.gz CMCIGXMRMXJUNX-ZYHUDNBSSA-N 1 1 309.322 0.845 20 5 DCBDMO COCc1cc([N+](=O)[O-])ccc1N1CCC[N@H+](CC(N)=O)CC1 ZINC000365267581 274053147 /nfs/dbraw/zinc/05/31/47/274053147.db2.gz PKZCTTCKUNWIDN-UHFFFAOYSA-N 1 1 322.365 0.739 20 5 DCBDMO COCc1cc([N+](=O)[O-])ccc1N1CCC[N@@H+](CC(N)=O)CC1 ZINC000365267581 274053148 /nfs/dbraw/zinc/05/31/48/274053148.db2.gz PKZCTTCKUNWIDN-UHFFFAOYSA-N 1 1 322.365 0.739 20 5 DCBDMO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ncnn1C ZINC000583317685 337314878 /nfs/dbraw/zinc/31/48/78/337314878.db2.gz TYUHQUUOVFOMRQ-WDEREUQCSA-N 1 1 321.337 0.814 20 5 DCBDMO [NH3+]Cc1noc(CN2C(=O)COc3ccc([N+](=O)[O-])cc32)n1 ZINC000576583623 341853628 /nfs/dbraw/zinc/85/36/28/341853628.db2.gz CGTCCYFOJMAGIG-UHFFFAOYSA-N 1 1 305.250 0.362 20 5 DCBDMO C[N@@H+](CCc1nccs1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000158012197 522990545 /nfs/dbraw/zinc/99/05/45/522990545.db2.gz WERFNYXDHMEYCA-NSHDSACASA-N 1 1 311.367 0.783 20 5 DCBDMO CC(C)[C@@H]1CN(C)CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000330993134 528742638 /nfs/dbraw/zinc/74/26/38/528742638.db2.gz STZMMYGPGPPWIV-KGLIPLIRSA-N 1 1 311.386 0.424 20 5 DCBDMO CC(C)[C@@H]1C[N@H+](C)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000330993134 528742649 /nfs/dbraw/zinc/74/26/49/528742649.db2.gz STZMMYGPGPPWIV-KGLIPLIRSA-N 1 1 311.386 0.424 20 5 DCBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000330993134 528742654 /nfs/dbraw/zinc/74/26/54/528742654.db2.gz STZMMYGPGPPWIV-KGLIPLIRSA-N 1 1 311.386 0.424 20 5 DCBDMO Cc1cccnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001022064063 658816529 /nfs/dbraw/zinc/81/65/29/658816529.db2.gz TZEYKBOQTWRBPN-GFQSEFKGSA-N 1 1 304.350 0.792 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CC3CCOCC3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776661 659557180 /nfs/dbraw/zinc/55/71/80/659557180.db2.gz DLQZUPLDBOMDKW-RGDJUOJXSA-N 1 1 309.366 0.125 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@H+](CC3CCOCC3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025776661 659557183 /nfs/dbraw/zinc/55/71/83/659557183.db2.gz DLQZUPLDBOMDKW-RGDJUOJXSA-N 1 1 309.366 0.125 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CC3CCOCC3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025776661 659557186 /nfs/dbraw/zinc/55/71/86/659557186.db2.gz DLQZUPLDBOMDKW-RGDJUOJXSA-N 1 1 309.366 0.125 20 5 DCBDMO C[N@@H+](CCO)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000925007617 661872269 /nfs/dbraw/zinc/87/22/69/661872269.db2.gz STDXCPZHXVUJQN-UHFFFAOYSA-N 1 1 315.757 0.831 20 5 DCBDMO Cn1cncc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000983648902 661997071 /nfs/dbraw/zinc/99/70/71/661997071.db2.gz LLPIBPFMLDRQBR-FPQZTECRSA-N 1 1 307.354 0.070 20 5 DCBDMO O=C(N[C@H]1C[C@H](C[NH2+]CC2CCOCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983658170 662002538 /nfs/dbraw/zinc/00/25/38/662002538.db2.gz RTRWCFKPNRWCSV-AAVRWANBSA-N 1 1 311.382 0.563 20 5 DCBDMO CN(CC(=O)N1CC[NH+](C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000894956615 662036751 /nfs/dbraw/zinc/03/67/51/662036751.db2.gz CQDNXQLDAWABIT-UHFFFAOYSA-N 1 1 310.329 0.944 20 5 DCBDMO CN1CC[C@H]1CNc1ncnc(NC[C@@H]2CC[N@@H+]2C)c1[N+](=O)[O-] ZINC000895769284 662214171 /nfs/dbraw/zinc/21/41/71/662214171.db2.gz QQGNDDIJBXZKRR-QWRGUYRKSA-N 1 1 321.385 0.617 20 5 DCBDMO CN1CC[C@H]1CNc1ncnc(NC[C@@H]2CC[N@H+]2C)c1[N+](=O)[O-] ZINC000895769284 662214173 /nfs/dbraw/zinc/21/41/73/662214173.db2.gz QQGNDDIJBXZKRR-QWRGUYRKSA-N 1 1 321.385 0.617 20 5 DCBDMO COCCS(=O)(=O)c1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905230579 663539750 /nfs/dbraw/zinc/53/97/50/663539750.db2.gz GBJTVENIHMJZBR-UHFFFAOYSA-N 1 1 302.352 0.473 20 5 DCBDMO CN1CC[N@@H+](C)CC(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000906430302 663616242 /nfs/dbraw/zinc/61/62/42/663616242.db2.gz BGQNLONFFJJCBF-UHFFFAOYSA-N 1 1 306.366 0.704 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@@H+](C)CCO ZINC000912610455 664195031 /nfs/dbraw/zinc/19/50/31/664195031.db2.gz QRZIHYXFWLJIIT-UHFFFAOYSA-N 1 1 311.338 0.600 20 5 DCBDMO C[N@@H+]1CC[C@H]1CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000921413048 665301726 /nfs/dbraw/zinc/30/17/26/665301726.db2.gz BYIXDHYGBSKBSD-LBPRGKRZSA-N 1 1 313.379 0.761 20 5 DCBDMO C[N@H+]1CC[C@H]1CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000921413048 665301728 /nfs/dbraw/zinc/30/17/28/665301728.db2.gz BYIXDHYGBSKBSD-LBPRGKRZSA-N 1 1 313.379 0.761 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2ccns2)CC1 ZINC000996428804 666790691 /nfs/dbraw/zinc/79/06/91/666790691.db2.gz HQAUHNIBCWQJAX-VXGBXAGGSA-N 1 1 310.379 0.889 20 5 DCBDMO Cn1ccnc1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996428858 666790701 /nfs/dbraw/zinc/79/07/01/666790701.db2.gz JJUUWRUKIMRCEL-VXGBXAGGSA-N 1 1 307.354 0.166 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000923357518 667513611 /nfs/dbraw/zinc/51/36/11/667513611.db2.gz XQJQYAYTAQQJSI-UONOGXRCSA-N 1 1 309.370 0.228 20 5 DCBDMO COC(=O)[C@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000886244945 667745042 /nfs/dbraw/zinc/74/50/42/667745042.db2.gz FXGTVVGEOSGUBD-GFCCVEGCSA-N 1 1 308.338 0.526 20 5 DCBDMO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750071793 667970935 /nfs/dbraw/zinc/97/09/35/667970935.db2.gz MTRWTFLPUCVCAC-KWCYVHTRSA-N 1 1 305.334 0.981 20 5 DCBDMO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750071793 667970937 /nfs/dbraw/zinc/97/09/37/667970937.db2.gz MTRWTFLPUCVCAC-KWCYVHTRSA-N 1 1 305.334 0.981 20 5 DCBDMO Cn1c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)ccc1[N+](=O)[O-] ZINC000889781724 667996618 /nfs/dbraw/zinc/99/66/18/667996618.db2.gz OIKVIZNNUJXIOK-NEPJUHHUSA-N 1 1 322.365 0.605 20 5 DCBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000874837026 668225134 /nfs/dbraw/zinc/22/51/34/668225134.db2.gz GADRMWZXBDZXFM-QWHCGFSZSA-N 1 1 320.349 0.452 20 5 DCBDMO C[N@H+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CCC1(C)C ZINC000875396929 668311827 /nfs/dbraw/zinc/31/18/27/668311827.db2.gz QANYERFIQWVBQF-UHFFFAOYSA-N 1 1 324.385 0.917 20 5 DCBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768909253 668627188 /nfs/dbraw/zinc/62/71/88/668627188.db2.gz JXYNUEZCXVJFGP-UHFFFAOYSA-N 1 1 323.396 0.249 20 5 DCBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCn3cnnn3)CC2)cc1 ZINC000877912728 668659284 /nfs/dbraw/zinc/65/92/84/668659284.db2.gz FOGUBFJCXYBREY-UHFFFAOYSA-N 1 1 303.326 0.404 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000879573505 669066104 /nfs/dbraw/zinc/06/61/04/669066104.db2.gz OYCHQGMXAHRLJN-BNOWGMLFSA-N 1 1 309.370 0.178 20 5 DCBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000930874766 669098479 /nfs/dbraw/zinc/09/84/79/669098479.db2.gz ILTOQFSBEXARJW-PHIMTYICSA-N 1 1 305.338 0.745 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000934394521 669600548 /nfs/dbraw/zinc/60/05/48/669600548.db2.gz HCDHCEMERSPTDB-KOLCDFICSA-N 1 1 307.354 0.841 20 5 DCBDMO COC(=O)[C@H]1[C@@H]2C[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000794970441 669869567 /nfs/dbraw/zinc/86/95/67/669869567.db2.gz YVTIHOFWORIUGC-RQJABVFESA-N 1 1 306.318 0.979 20 5 DCBDMO NC(=O)C[NH+]1CCC(NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000819939597 671148436 /nfs/dbraw/zinc/14/84/36/671148436.db2.gz QLOWOGTYUFMDOY-UHFFFAOYSA-N 1 1 306.322 0.274 20 5 DCBDMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825742395 671471166 /nfs/dbraw/zinc/47/11/66/671471166.db2.gz KWMHKERFDUOBCO-BXUZGUMPSA-N 1 1 323.349 0.153 20 5 DCBDMO C[C@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000827378426 671525589 /nfs/dbraw/zinc/52/55/89/671525589.db2.gz QWWZWCYWGOOGKB-ZLKJLUDKSA-N 1 1 323.349 0.464 20 5 DCBDMO C[C@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000827378426 671525590 /nfs/dbraw/zinc/52/55/90/671525590.db2.gz QWWZWCYWGOOGKB-ZLKJLUDKSA-N 1 1 323.349 0.464 20 5 DCBDMO C[C@H]1C[N@@H+](CCO)CCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000829578000 671580570 /nfs/dbraw/zinc/58/05/70/671580570.db2.gz UGDKBTTZGQZHEA-NSHDSACASA-N 1 1 305.338 0.745 20 5 DCBDMO CC[C@@H](CO)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2OC)CC1 ZINC000892712521 685433515 /nfs/dbraw/zinc/43/35/15/685433515.db2.gz NGCROMMTETYLNA-NSHDSACASA-N 1 1 310.354 0.891 20 5 DCBDMO C[NH+](C)[C@@H]1C[C@@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC001120520610 1159057531 /nfs/dbraw/zinc/05/75/31/1159057531.db2.gz YFICNNIKCZEFMH-YNEHKIRRSA-N 1 1 311.386 0.471 20 5 DCBDMO C[C@H]1C[C@@H](O)C[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001580448530 1165605006 /nfs/dbraw/zinc/60/50/06/1165605006.db2.gz XMDROGBNJVBBQI-VHSXEESVSA-N 1 1 318.337 0.978 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N(Cc1ccccc1)CC1(O)C[NH2+]C1 ZINC001580807397 1165722075 /nfs/dbraw/zinc/72/20/75/1165722075.db2.gz SMJTXPNBDFPMLB-CHWSQXEVSA-N 1 1 305.334 0.015 20 5 DCBDMO C[C@@H]1C[C@H](C)C[N@@H+](CCn2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)C1 ZINC001590189535 1166804293 /nfs/dbraw/zinc/80/42/93/1166804293.db2.gz WKNGFVUCYGDJSE-AOOOYVTPSA-N 1 1 320.357 0.949 20 5 DCBDMO C[C@@H]1C[C@H](C)C[N@H+](CCn2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)C1 ZINC001590189535 1166804303 /nfs/dbraw/zinc/80/43/03/1166804303.db2.gz WKNGFVUCYGDJSE-AOOOYVTPSA-N 1 1 320.357 0.949 20 5 DCBDMO CC[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1O ZINC001590522015 1166934963 /nfs/dbraw/zinc/93/49/63/1166934963.db2.gz GBUOQOCNTFKIJC-RNCFNFMXSA-N 1 1 318.337 0.978 20 5 DCBDMO CC[N@@H+](CCCO)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590701705 1166976208 /nfs/dbraw/zinc/97/62/08/1166976208.db2.gz NDGBJYHIZUNYFF-UHFFFAOYSA-N 1 1 306.326 0.979 20 5 DCBDMO COC[C@](C)(CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001591369889 1167241678 /nfs/dbraw/zinc/24/16/78/1167241678.db2.gz BGUHZQSNJAAZNF-ZDUSSCGKSA-N 1 1 322.325 0.262 20 5 DCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC001593471370 1167864476 /nfs/dbraw/zinc/86/44/76/1167864476.db2.gz PYWCZFZXCGWVNB-SECBINFHSA-N 1 1 316.325 0.819 20 5 DCBDMO C[N@H+]1CCC[C@@H]1CNc1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001604862292 1169717805 /nfs/dbraw/zinc/71/78/05/1169717805.db2.gz BAXGPWOORJXXHF-SECBINFHSA-N 1 1 304.314 0.676 20 5 DCBDMO O=C1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CCN1 ZINC001607045788 1170367270 /nfs/dbraw/zinc/36/72/70/1170367270.db2.gz LDHKJMKHWUGIRL-UHFFFAOYSA-N 1 1 317.309 0.097 20 5 DCBDMO O=C1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CCN1 ZINC001607045788 1170367273 /nfs/dbraw/zinc/36/72/73/1170367273.db2.gz LDHKJMKHWUGIRL-UHFFFAOYSA-N 1 1 317.309 0.097 20 5 DCBDMO C[C@@H]1[C@H](O)CC[N@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001609375643 1170954956 /nfs/dbraw/zinc/95/49/56/1170954956.db2.gz PXZFJPJQSJZPCT-PRHODGIISA-N 1 1 304.310 0.730 20 5 DCBDMO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001635983111 1171720536 /nfs/dbraw/zinc/72/05/36/1171720536.db2.gz XMLMAKALZLTYFP-RYUDHWBXSA-N 1 1 320.349 0.458 20 5 DCBDMO NC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)F)CC[NH2+]1 ZINC001642022032 1171935086 /nfs/dbraw/zinc/93/50/86/1171935086.db2.gz UHWOYBUWYHAQHQ-VIFPVBQESA-N 1 1 300.265 0.796 20 5 DCBDMO Cc1[nH+]c2c(n1CCO)CC[C@H](Nc1c([N+](=O)[O-])cnn1C)C2 ZINC001642884924 1171960214 /nfs/dbraw/zinc/96/02/14/1171960214.db2.gz QVKOPQWEJIDNAN-JTQLQIEISA-N 1 1 320.353 0.795 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)n1 ZINC001643089210 1171964540 /nfs/dbraw/zinc/96/45/40/1171964540.db2.gz HKHYSSKEWRVZRK-VXGBXAGGSA-N 1 1 322.365 0.825 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)n1 ZINC001643089210 1171964543 /nfs/dbraw/zinc/96/45/43/1171964543.db2.gz HKHYSSKEWRVZRK-VXGBXAGGSA-N 1 1 322.365 0.825 20 5 DCBDMO COC(=O)[C@@]1(O)CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001644291448 1172002440 /nfs/dbraw/zinc/00/24/40/1172002440.db2.gz HDASIFONVOXIEP-TZMCWYRMSA-N 1 1 310.306 0.238 20 5 DCBDMO O=[N+]([O-])c1cc(Cl)cnc1NC[C@]1(CO)COCC[NH2+]1 ZINC001652189346 1173765331 /nfs/dbraw/zinc/76/53/31/1173765331.db2.gz VDLYMQOWOOVAIC-NSHDSACASA-N 1 1 302.718 0.406 20 5 DCBDMO NC(=O)c1cc([N+](=O)[O-])cnc1NCc1c[nH+]c2n1CCC2 ZINC001652234044 1173766257 /nfs/dbraw/zinc/76/62/57/1173766257.db2.gz MALJJYXWUYWXJD-UHFFFAOYSA-N 1 1 302.294 0.844 20 5 DCBDMO COc1c(O)ccc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)c1[N+](=O)[O-] ZINC001652292529 1173767713 /nfs/dbraw/zinc/76/77/13/1173767713.db2.gz ZIMCCSBUMDAXGA-KWQFWETISA-N 1 1 309.322 0.923 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC001654517900 1173806152 /nfs/dbraw/zinc/80/61/52/1173806152.db2.gz AEHSJVDEMZEYSS-UHFFFAOYSA-N 1 1 306.326 0.597 20 5 DCBDMO O=C1CO[C@@H]2CC[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@H]2N1 ZINC001654654516 1173807907 /nfs/dbraw/zinc/80/79/07/1173807907.db2.gz WKWLNNVHMRKNQI-MGPQQGTHSA-N 1 1 321.333 0.218 20 5 DCBDMO O=C1CO[C@@H]2CC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@H]2N1 ZINC001654654516 1173807912 /nfs/dbraw/zinc/80/79/12/1173807912.db2.gz WKWLNNVHMRKNQI-MGPQQGTHSA-N 1 1 321.333 0.218 20 5 DCBDMO C[NH+]1CCN(C2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)CC1 ZINC001655777586 1173827216 /nfs/dbraw/zinc/82/72/16/1173827216.db2.gz DEXBKYUXUFVKNV-UHFFFAOYSA-N 1 1 321.385 0.183 20 5 DCBDMO CC[N@@H+](CCC(=O)NC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001656358575 1173858474 /nfs/dbraw/zinc/85/84/74/1173858474.db2.gz AHAFGTDRTFIAEF-UHFFFAOYSA-N 1 1 308.338 0.652 20 5 DCBDMO COC(=O)[C@]1(O)CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC001659929071 1173936165 /nfs/dbraw/zinc/93/61/65/1173936165.db2.gz LVFJZVDSUVEIPR-AWEZNQCLSA-N 1 1 310.306 0.583 20 5 DCBDMO NS(=O)(=O)C[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001660447762 1173994811 /nfs/dbraw/zinc/99/48/11/1173994811.db2.gz MYZHGXRTXXFKQE-LBPRGKRZSA-N 1 1 313.379 0.748 20 5 DCBDMO CCOc1cccc(C[NH2+]CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001663924148 1174372050 /nfs/dbraw/zinc/37/20/50/1174372050.db2.gz PHYIDQLTYITPLU-CHWSQXEVSA-N 1 1 322.365 0.694 20 5 DCBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)NCC[N@@H+]1CC[C@H](O)C1 ZINC001681237977 1175882641 /nfs/dbraw/zinc/88/26/41/1175882641.db2.gz LJAQOLQVOWNJJK-AWEZNQCLSA-N 1 1 322.365 0.503 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)NCCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC001685506130 1176036222 /nfs/dbraw/zinc/03/62/22/1176036222.db2.gz SODLVJZHDITZOQ-UHTWSYAYSA-N 1 1 322.369 0.431 20 5 DCBDMO CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1conc1C ZINC001731307200 1185255368 /nfs/dbraw/zinc/25/53/68/1185255368.db2.gz XUTVCQOXNWFCPT-CHWSQXEVSA-N 1 1 310.354 0.976 20 5 DCBDMO CC[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1conc1C ZINC001731307200 1185255375 /nfs/dbraw/zinc/25/53/75/1185255375.db2.gz XUTVCQOXNWFCPT-CHWSQXEVSA-N 1 1 310.354 0.976 20 5 DCBDMO CC[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1conc1C ZINC001731307200 1185255378 /nfs/dbraw/zinc/25/53/78/1185255378.db2.gz XUTVCQOXNWFCPT-CHWSQXEVSA-N 1 1 310.354 0.976 20 5 DCBDMO CC[N@@H+](CCNC(=O)CC(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001731799834 1185494575 /nfs/dbraw/zinc/49/45/75/1185494575.db2.gz FLMKLRSOPQMYHU-UHFFFAOYSA-N 1 1 308.338 0.408 20 5 DCBDMO O=C(N[C@H]1C[C@H](C[NH2+]CCn2cccn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001734205033 1186579448 /nfs/dbraw/zinc/57/94/48/1186579448.db2.gz KLSOWYIWHFYKOT-FDYHWXHSSA-N 1 1 307.354 0.033 20 5 DCBDMO C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCC1CCOCC1 ZINC001751974280 1188369780 /nfs/dbraw/zinc/36/97/80/1188369780.db2.gz DOTLQMRBOQTKMK-ZIAGYGMSSA-N 1 1 313.398 0.906 20 5 DCBDMO C[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCC1CCOCC1 ZINC001751974280 1188369781 /nfs/dbraw/zinc/36/97/81/1188369781.db2.gz DOTLQMRBOQTKMK-ZIAGYGMSSA-N 1 1 313.398 0.906 20 5 DCBDMO C[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCC1CCOCC1 ZINC001751974280 1188369784 /nfs/dbraw/zinc/36/97/84/1188369784.db2.gz DOTLQMRBOQTKMK-ZIAGYGMSSA-N 1 1 313.398 0.906 20 5 DCBDMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(OC)nc1 ZINC001753081529 1188493834 /nfs/dbraw/zinc/49/38/34/1188493834.db2.gz IWDVRZSEXGBAQF-CHWSQXEVSA-N 1 1 322.365 0.694 20 5 DCBDMO Cc1cc(C)n(CC[N@H+](C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001753853009 1188664732 /nfs/dbraw/zinc/66/47/32/1188664732.db2.gz IFOVNVNXGKEHEQ-ZIAGYGMSSA-N 1 1 323.397 0.555 20 5 DCBDMO Cc1cc(C)n(CC[N@@H+](C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001753853009 1188664735 /nfs/dbraw/zinc/66/47/35/1188664735.db2.gz IFOVNVNXGKEHEQ-ZIAGYGMSSA-N 1 1 323.397 0.555 20 5 DCBDMO Cc1cc(C)n(CC[N@H+](C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001753853009 1188664738 /nfs/dbraw/zinc/66/47/38/1188664738.db2.gz IFOVNVNXGKEHEQ-ZIAGYGMSSA-N 1 1 323.397 0.555 20 5 DCBDMO Nc1cc(N2CC[NH+](C[C@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC001120792838 721911964 /nfs/dbraw/zinc/91/19/64/721911964.db2.gz FROOXBQJJYIBPQ-LLVKDONJSA-N 1 1 307.354 0.873 20 5 DCBDMO O=C(NCC[NH2+]CCOCc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936968 750150909 /nfs/dbraw/zinc/15/09/09/750150909.db2.gz ZCEMVGKRBXDLGD-ZIAGYGMSSA-N 1 1 307.350 0.574 20 5 DCBDMO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1F ZINC001126942508 750156818 /nfs/dbraw/zinc/15/68/18/750156818.db2.gz AWLPXPPKMZGORK-ZYHUDNBSSA-N 1 1 311.313 0.705 20 5 DCBDMO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ncn[nH]1 ZINC001168731470 753934362 /nfs/dbraw/zinc/93/43/62/753934362.db2.gz KNHZFKCBEHFWQM-UHFFFAOYSA-N 1 1 304.310 0.623 20 5 DCBDMO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nc[nH]n1 ZINC001168731470 753934366 /nfs/dbraw/zinc/93/43/66/753934366.db2.gz KNHZFKCBEHFWQM-UHFFFAOYSA-N 1 1 304.310 0.623 20 5 DCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](CCOC3CCC3)C[C@@H]2C1 ZINC001048813111 754955300 /nfs/dbraw/zinc/95/53/00/754955300.db2.gz AFIVDSJDCVGWBM-AYRXBEOTSA-N 1 1 323.393 0.611 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CCOC3CCC3)C[C@@H]2C1 ZINC001048813111 754955303 /nfs/dbraw/zinc/95/53/03/754955303.db2.gz AFIVDSJDCVGWBM-AYRXBEOTSA-N 1 1 323.393 0.611 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@H+](CCOC3CCC3)C[C@@H]2C1 ZINC001048813111 754955307 /nfs/dbraw/zinc/95/53/07/754955307.db2.gz AFIVDSJDCVGWBM-AYRXBEOTSA-N 1 1 323.393 0.611 20 5 DCBDMO O=C(NCc1cccc2c1CC[N@H+](CCO)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001051289018 758569285 /nfs/dbraw/zinc/56/92/85/758569285.db2.gz BPIRUBKUAYELME-HUUCEWRRSA-N 1 1 319.361 0.318 20 5 DCBDMO O=C(NCc1cccc2c1CC[N@@H+](CCO)C2)[C@@H]1CC1[N+](=O)[O-] ZINC001051289018 758569296 /nfs/dbraw/zinc/56/92/96/758569296.db2.gz BPIRUBKUAYELME-HUUCEWRRSA-N 1 1 319.361 0.318 20 5 DCBDMO O=C(NCc1cccc2c1CC[N@H+](CCO)C2)[C@@H]1CC1[N+](=O)[O-] ZINC001051289018 758569305 /nfs/dbraw/zinc/56/93/05/758569305.db2.gz BPIRUBKUAYELME-HUUCEWRRSA-N 1 1 319.361 0.318 20 5 DCBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@H+](C)[C@@H](CO)C1 ZINC000828724350 759083474 /nfs/dbraw/zinc/08/34/74/759083474.db2.gz GXWUHXWVESTSHG-NWDGAFQWSA-N 1 1 322.365 0.530 20 5 DCBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000828724350 759083484 /nfs/dbraw/zinc/08/34/84/759083484.db2.gz GXWUHXWVESTSHG-NWDGAFQWSA-N 1 1 322.365 0.530 20 5 DCBDMO Cn1nccc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086082937 759690940 /nfs/dbraw/zinc/69/09/40/759690940.db2.gz IQPBNPHBFQLBSU-LYIQGSDWSA-N 1 1 307.354 0.070 20 5 DCBDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2C[C@](O)(C(F)(F)F)C[C@H]2CO)C1 ZINC001169013449 760544219 /nfs/dbraw/zinc/54/42/19/760544219.db2.gz VHHBWXQVFVMWBJ-ZNSHCXBVSA-N 1 1 312.288 0.792 20 5 DCBDMO CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2[C@H]2CC[C@H](C[N+](=O)[O-])C2)O1 ZINC001169018957 760559353 /nfs/dbraw/zinc/55/93/53/760559353.db2.gz FRTHXUIETCMLNB-QNSTZXKLSA-N 1 1 311.382 0.752 20 5 DCBDMO Cc1ccoc1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001123535784 767997535 /nfs/dbraw/zinc/99/75/35/767997535.db2.gz UPBWEBXLMDANTA-UHFFFAOYSA-N 1 1 307.310 0.749 20 5 DCBDMO COC(=O)c1cc([N+](=O)[O-])c(N[C@H](N)CCC[NH3+])cc1OC ZINC001170900097 766250488 /nfs/dbraw/zinc/25/04/88/766250488.db2.gz IMAQZGQARJILSP-LBPRGKRZSA-N 1 1 312.326 0.826 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)n1 ZINC001136761469 766502449 /nfs/dbraw/zinc/50/24/49/766502449.db2.gz MQKUVBSSCSJYLJ-GFCCVEGCSA-N 1 1 307.354 0.274 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)n1 ZINC001136761469 766502453 /nfs/dbraw/zinc/50/24/53/766502453.db2.gz MQKUVBSSCSJYLJ-GFCCVEGCSA-N 1 1 307.354 0.274 20 5 DCBDMO Cn1cc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])nn1 ZINC001120560687 767078526 /nfs/dbraw/zinc/07/85/26/767078526.db2.gz HOFJREUGRAIBIA-NSHDSACASA-N 1 1 307.310 0.253 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)n1 ZINC001147352419 767721463 /nfs/dbraw/zinc/72/14/63/767721463.db2.gz LLKAQUIBFHBNLY-BXUZGUMPSA-N 1 1 321.381 0.662 20 5 DCBDMO C[N@@H+](CCCNC(=O)CNC(N)=O)Cc1cccc([N+](=O)[O-])c1 ZINC001233706531 769432292 /nfs/dbraw/zinc/43/22/92/769432292.db2.gz ZOGVALCQPVGGHP-UHFFFAOYSA-N 1 1 323.353 0.201 20 5 DCBDMO CN(CC(=O)N1CC([NH2+]C2COC2)C1)c1ccccc1[N+](=O)[O-] ZINC001179458888 771009068 /nfs/dbraw/zinc/00/90/68/771009068.db2.gz VDQJUAOEEGCMOT-UHFFFAOYSA-N 1 1 320.349 0.230 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])cnc3N)[C@H]2C1 ZINC001181441739 771292334 /nfs/dbraw/zinc/29/23/34/771292334.db2.gz IOAYLPBIKWAYRI-KPXOXKRLSA-N 1 1 305.338 0.642 20 5 DCBDMO O=C(NCCC[NH2+]Cc1ccc2nonc2c1)[C@@H]1CC1[N+](=O)[O-] ZINC001157767813 771666990 /nfs/dbraw/zinc/66/69/90/771666990.db2.gz VSJKAOAWRFVOFH-ZWNOBZJWSA-N 1 1 319.321 0.484 20 5 DCBDMO O=C(NCCC[NH2+]CCOc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001157775377 771670669 /nfs/dbraw/zinc/67/06/69/771670669.db2.gz QBNYEXZWMKMYMI-ZIAGYGMSSA-N 1 1 307.350 0.827 20 5 DCBDMO O=C1C[NH2+]CCN1CCNc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001161019450 772150761 /nfs/dbraw/zinc/15/07/61/772150761.db2.gz NHWKWWCYGSRBTL-UHFFFAOYSA-N 1 1 315.333 0.987 20 5 DCBDMO CC[N@H+]1CC[C@@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC001187422267 772183962 /nfs/dbraw/zinc/18/39/62/772183962.db2.gz GOPPUNKCHBHUHH-SECBINFHSA-N 1 1 314.367 0.748 20 5 DCBDMO Cc1ccnc(NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)c1[N+](=O)[O-] ZINC001187912942 772242304 /nfs/dbraw/zinc/24/23/04/772242304.db2.gz GTIMXPRXMIBLSR-SWLSCSKDSA-N 1 1 322.365 0.936 20 5 DCBDMO Cc1ccnc(NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)c1[N+](=O)[O-] ZINC001187912942 772242306 /nfs/dbraw/zinc/24/23/06/772242306.db2.gz GTIMXPRXMIBLSR-SWLSCSKDSA-N 1 1 322.365 0.936 20 5 DCBDMO COCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH+](C(C)C)CC1 ZINC001162270819 772349659 /nfs/dbraw/zinc/34/96/59/772349659.db2.gz SBMVDRMSBPPARH-CHWSQXEVSA-N 1 1 313.398 0.905 20 5 DCBDMO O=[N+]([O-])c1c(NC[C@]2(CO)COCC[NH2+]2)nc2ccccn21 ZINC001164047047 772608872 /nfs/dbraw/zinc/60/88/72/772608872.db2.gz WNBJGFBHYSTJLA-ZDUSSCGKSA-N 1 1 307.310 0.005 20 5 DCBDMO O=C(C[N@@H+]1C[C@H](CO)[C@H](CCO)C1)Nc1ccccc1[N+](=O)[O-] ZINC001198752870 773974847 /nfs/dbraw/zinc/97/48/47/773974847.db2.gz NNQJBAIZCSUNDE-VXGBXAGGSA-N 1 1 323.349 0.456 20 5 DCBDMO O=C(C[N@H+]1C[C@H](CO)[C@H](CCO)C1)Nc1ccccc1[N+](=O)[O-] ZINC001198752870 773974852 /nfs/dbraw/zinc/97/48/52/773974852.db2.gz NNQJBAIZCSUNDE-VXGBXAGGSA-N 1 1 323.349 0.456 20 5 DCBDMO C[C@@H]1OCc2c1nc(=O)[nH]c2OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001227709686 775998501 /nfs/dbraw/zinc/99/85/01/775998501.db2.gz FRDSFBACPSDIAL-DTWKUNHWSA-O 1 1 312.346 0.136 20 5 DCBDMO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1ncn[nH]1 ZINC001267454612 939460189 /nfs/dbraw/zinc/46/01/89/939460189.db2.gz FTSBJNGHMAGCEM-UHFFFAOYSA-N 1 1 318.337 0.504 20 5 DCBDMO CCNC(=O)CC(=O)NCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001317443094 944973549 /nfs/dbraw/zinc/97/35/49/944973549.db2.gz PXMKFUCJIFPXER-UHFFFAOYSA-N 1 1 322.365 0.669 20 5 DCBDMO CCNC(=O)CC(=O)NCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001317443094 944973553 /nfs/dbraw/zinc/97/35/53/944973553.db2.gz PXMKFUCJIFPXER-UHFFFAOYSA-N 1 1 322.365 0.669 20 5 DCBDMO COCCC[NH+]1CCC(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001319019656 945482813 /nfs/dbraw/zinc/48/28/13/945482813.db2.gz ZMJMLLOBGQHJFU-ZIAGYGMSSA-N 1 1 313.398 0.906 20 5 DCBDMO CCN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1ccn[nH]1 ZINC001273274096 946412912 /nfs/dbraw/zinc/41/29/12/946412912.db2.gz IKYGJYURVRULOA-UHFFFAOYSA-N 1 1 321.341 0.303 20 5 DCBDMO Cc1nc(C)c(C[NH2+]CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001322506220 946703339 /nfs/dbraw/zinc/70/33/39/946703339.db2.gz YXNWSSROCFMTTJ-VXGBXAGGSA-N 1 1 310.354 0.895 20 5 DCBDMO Nc1nccc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC001329041089 949308086 /nfs/dbraw/zinc/30/80/86/949308086.db2.gz XKJJEKODOZQEBV-JTQLQIEISA-N 1 1 305.338 0.882 20 5 DCBDMO Cc1cc(C[N@H+](C)CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])on1 ZINC001280814541 951105135 /nfs/dbraw/zinc/10/51/35/951105135.db2.gz PGTDZCQBVBEOLZ-CHWSQXEVSA-N 1 1 310.354 0.929 20 5 DCBDMO COCC[N@H+]1[C@H](C)CN(C(=O)c2c[nH]nc2[N+](=O)[O-])C[C@@H]1C ZINC001332167836 951506345 /nfs/dbraw/zinc/50/63/45/951506345.db2.gz XPEXXEGATLQGOQ-AOOOYVTPSA-N 1 1 311.342 0.499 20 5 DCBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2c[nH]nc2[N+](=O)[O-])C[C@@H]1C ZINC001332167836 951506348 /nfs/dbraw/zinc/50/63/48/951506348.db2.gz XPEXXEGATLQGOQ-AOOOYVTPSA-N 1 1 311.342 0.499 20 5 DCBDMO Cc1[nH]nc(C(=O)N2CC[NH2+]CCC23CCOCC3)c1[N+](=O)[O-] ZINC001338407990 953008216 /nfs/dbraw/zinc/00/82/16/953008216.db2.gz XMPBRWQHQPWMBA-UHFFFAOYSA-N 1 1 323.353 0.611 20 5 DCBDMO C[NH+]1CC(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3F)CC2)C1 ZINC001348304588 954260330 /nfs/dbraw/zinc/26/03/30/954260330.db2.gz ITWCWFLFOMXCSJ-UHFFFAOYSA-N 1 1 322.340 0.806 20 5 DCBDMO CN1CC[C@@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001353273048 955999683 /nfs/dbraw/zinc/99/96/83/955999683.db2.gz MPLIOIQKZYNXFO-GXTWGEPZSA-N 1 1 309.366 0.876 20 5 DCBDMO O=[N+]([O-])c1cnc(NC[C@]2(CO)COCC[NH2+]2)c(Cl)c1 ZINC001307199729 960145138 /nfs/dbraw/zinc/14/51/38/960145138.db2.gz BORNVFNQFZBPKU-NSHDSACASA-N 1 1 302.718 0.406 20 5 DCBDMO C[NH+]1CC(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)C1 ZINC001528970402 1014467558 /nfs/dbraw/zinc/46/75/58/1014467558.db2.gz YSISOISJVBOGJQ-UHFFFAOYSA-N 1 1 322.340 0.806 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)n1 ZINC001449804763 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JSJJDAXQFWRWQO-NSHDSACASA-N 1 1 318.337 0.673 20 5 DCBDMO Cc1n[nH]c([C@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)n1 ZINC001473556079 1016948478 /nfs/dbraw/zinc/94/84/78/1016948478.db2.gz JSJJDAXQFWRWQO-NSHDSACASA-N 1 1 318.337 0.673 20 5 DCBDMO Cc1nc([C@H]2CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)n[nH]1 ZINC001473556079 1016948493 /nfs/dbraw/zinc/94/84/93/1016948493.db2.gz JSJJDAXQFWRWQO-NSHDSACASA-N 1 1 318.337 0.673 20 5 DCBDMO Cc1nc([C@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)n[nH]1 ZINC001473556079 1016948502 /nfs/dbraw/zinc/94/85/02/1016948502.db2.gz JSJJDAXQFWRWQO-NSHDSACASA-N 1 1 318.337 0.673 20 5 DCBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001557101917 1012260615 /nfs/dbraw/zinc/26/06/15/1012260615.db2.gz DBHRKQMUFZBMSK-NSHDSACASA-N 1 1 308.338 0.309 20 5 DCBDMO C[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1)CCOCCO ZINC001558099706 1012323808 /nfs/dbraw/zinc/32/38/08/1012323808.db2.gz VJWGUITZHIHLMK-UHFFFAOYSA-N 1 1 311.338 0.265 20 5 DCBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC([NH2+]C2COC2)C1 ZINC001558610947 1012374370 /nfs/dbraw/zinc/37/43/70/1012374370.db2.gz DFOGTMWMOWPTSO-UTCJRWHESA-N 1 1 303.318 0.807 20 5 DCBDMO NC(=O)c1ccnc(N[C@H]2CCC[N@@H+](CCCO)C2)c1[N+](=O)[O-] ZINC001559193490 1012406814 /nfs/dbraw/zinc/40/68/14/1012406814.db2.gz FNMRBZIXDQDSRZ-JTQLQIEISA-N 1 1 323.353 0.347 20 5 DCBDMO Cn1ccnc1[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)(C)CO ZINC001460316410 1012892173 /nfs/dbraw/zinc/89/21/73/1012892173.db2.gz OFGZINCABFQCLK-GFCCVEGCSA-N 1 1 322.369 0.874 20 5 DCBDMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001521286173 1017344473 /nfs/dbraw/zinc/34/44/73/1017344473.db2.gz FCOBAZZBSOKSBS-WFASDCNBSA-N 1 1 318.377 0.642 20 5 DCBDMO Cc1cc(C(=O)N2CCN(C3C[NH+](C)C3)CC2)cc([N+](=O)[O-])c1 ZINC001522086674 1017448620 /nfs/dbraw/zinc/44/86/20/1017448620.db2.gz HZUDNGPUNUVCJR-UHFFFAOYSA-N 1 1 318.377 0.975 20 5 DCBDMO CC[N@H+](CCCNC(=O)C(N)=O)Cc1csc([N+](=O)[O-])c1 ZINC001479853207 1017896484 /nfs/dbraw/zinc/89/64/84/1017896484.db2.gz FWJLJMYHEFNJIF-UHFFFAOYSA-N 1 1 314.367 0.470 20 5 DCBDMO CC[N@@H+](CCCNC(=O)C(N)=O)Cc1csc([N+](=O)[O-])c1 ZINC001479853207 1017896503 /nfs/dbraw/zinc/89/65/03/1017896503.db2.gz FWJLJMYHEFNJIF-UHFFFAOYSA-N 1 1 314.367 0.470 20 5 DCBDMO CC(C)[N@H+](CC(N)=O)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181519456 199309745 /nfs/dbraw/zinc/30/97/45/199309745.db2.gz HWQNAXLHSRIXKR-LLVKDONJSA-N 1 1 311.338 0.530 20 5 DCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000317055826 530070612 /nfs/dbraw/zinc/07/06/12/530070612.db2.gz UODVFRSDKARCEQ-JTQLQIEISA-N 1 1 307.354 0.153 20 5 DCBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331295267 232984753 /nfs/dbraw/zinc/98/47/53/232984753.db2.gz SJNHHSNFBGFALP-XWUBHJNHSA-N 1 1 312.370 0.634 20 5 DCBDMO COC(=O)C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000173247169 198200821 /nfs/dbraw/zinc/20/08/21/198200821.db2.gz BYYGISXHUAQCHJ-LLVKDONJSA-N 1 1 300.315 0.036 20 5 DCBDMO COC(=O)C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000173247169 198200823 /nfs/dbraw/zinc/20/08/23/198200823.db2.gz BYYGISXHUAQCHJ-LLVKDONJSA-N 1 1 300.315 0.036 20 5 DCBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000421704300 240096310 /nfs/dbraw/zinc/09/63/10/240096310.db2.gz OEXRKTJLGUNSOY-LLVKDONJSA-N 1 1 308.338 0.309 20 5 DCBDMO CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000572483164 291570707 /nfs/dbraw/zinc/57/07/07/291570707.db2.gz SFXADEICOZADQA-SNVBAGLBSA-N 1 1 314.367 0.752 20 5 DCBDMO O=C(NC1CC1)N[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000274105053 211358183 /nfs/dbraw/zinc/35/81/83/211358183.db2.gz YQPUWQHIRBNZRJ-NSHDSACASA-N 1 1 308.342 0.327 20 5 DCBDMO O=C(NC1CC1)N[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000274105053 211358189 /nfs/dbraw/zinc/35/81/89/211358189.db2.gz YQPUWQHIRBNZRJ-NSHDSACASA-N 1 1 308.342 0.327 20 5 DCBDMO CC[N@H+]1CC[C@@H]2OCCN(Cc3c([N+](=O)[O-])ncn3C)[C@H]2C1 ZINC000339385211 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DCBDMO NC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[NH2+]1 ZINC000283863419 131030109 /nfs/dbraw/zinc/03/01/09/131030109.db2.gz DWZQOUXUEXUVEN-SECBINFHSA-N 1 1 318.255 0.877 20 5 DCBDMO CCCC[N@@H+](C)CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000112309564 395815850 /nfs/dbraw/zinc/81/58/50/395815850.db2.gz YNBHEYZPJPUSRH-UHFFFAOYSA-N 1 1 310.354 0.605 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1COCC[NH2+]1 ZINC000235757506 395893067 /nfs/dbraw/zinc/89/30/67/395893067.db2.gz KAGRKBKQQIHNER-SNVBAGLBSA-N 1 1 315.351 0.170 20 5 DCBDMO Cc1ccc(S(=O)(=O)NC[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000235870645 395893471 /nfs/dbraw/zinc/89/34/71/395893471.db2.gz SREKJLOZPCYBOZ-JTQLQIEISA-N 1 1 315.351 0.170 20 5 DCBDMO C[NH+]1CCC(O)(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000272516624 395896622 /nfs/dbraw/zinc/89/66/22/395896622.db2.gz KSRWECGBUWDWEH-UHFFFAOYSA-N 1 1 309.322 0.487 20 5 DCBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000128532909 395918258 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O=C(NCc1cccc([N+](=O)[O-])c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593332133 397352669 /nfs/dbraw/zinc/35/26/69/397352669.db2.gz XSYXTDSPILEPSD-CQSZACIVSA-N 1 1 320.349 0.555 20 5 DCBDMO O=C(NCc1cccc([N+](=O)[O-])c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593332133 397352676 /nfs/dbraw/zinc/35/26/76/397352676.db2.gz XSYXTDSPILEPSD-CQSZACIVSA-N 1 1 320.349 0.555 20 5 DCBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593855218 397457572 /nfs/dbraw/zinc/45/75/72/397457572.db2.gz HKEVYISAYCRLRC-SNVBAGLBSA-N 1 1 306.322 0.068 20 5 DCBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593855218 397457580 /nfs/dbraw/zinc/45/75/80/397457580.db2.gz HKEVYISAYCRLRC-SNVBAGLBSA-N 1 1 306.322 0.068 20 5 DCBDMO CC(C)[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000488023608 397483924 /nfs/dbraw/zinc/48/39/24/397483924.db2.gz IWAMTZHVTMPGRM-KGLIPLIRSA-N 1 1 311.386 0.424 20 5 DCBDMO CC(C)[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C 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CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000330537809 159188461 /nfs/dbraw/zinc/18/84/61/159188461.db2.gz QLJRUIVIANGSAG-LBPRGKRZSA-N 1 1 322.365 0.555 20 5 DCBDMO C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C[N@H+]1C ZINC000330597114 159199823 /nfs/dbraw/zinc/19/98/23/159199823.db2.gz SGERXETZAYAAHR-MNOVXSKESA-N 1 1 308.338 0.308 20 5 DCBDMO NC(=O)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000367987634 159369161 /nfs/dbraw/zinc/36/91/61/159369161.db2.gz GLOTVNBQOJOCRQ-VXGBXAGGSA-N 1 1 323.349 0.532 20 5 DCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000408054603 160024253 /nfs/dbraw/zinc/02/42/53/160024253.db2.gz SWKFCNUJDNSPNT-MNOVXSKESA-N 1 1 307.354 0.885 20 5 DCBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000151272314 287032759 /nfs/dbraw/zinc/03/27/59/287032759.db2.gz NWRFZPLGERCUNA-NSHDSACASA-N 1 1 322.369 0.575 20 5 DCBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2ncccc2[N+](=O)[O-])CC1 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WPCJYGVEHOGCHY-UMVBOHGHSA-N 1 1 323.397 0.711 20 5 DCBDMO C[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000332164722 415275521 /nfs/dbraw/zinc/27/55/21/415275521.db2.gz WPCJYGVEHOGCHY-UMVBOHGHSA-N 1 1 323.397 0.711 20 5 DCBDMO C[C@@H]1CN2CCCC[C@@H]2C[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000332164722 415275529 /nfs/dbraw/zinc/27/55/29/415275529.db2.gz WPCJYGVEHOGCHY-UMVBOHGHSA-N 1 1 323.397 0.711 20 5 DCBDMO C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C1=CC[N@@H+](C)CC1 ZINC000273052231 415303632 /nfs/dbraw/zinc/30/36/32/415303632.db2.gz XLEULOHQLKNJJM-LLVKDONJSA-N 1 1 307.354 0.948 20 5 DCBDMO O=C(NCC[N@H+]1CCCOCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000275931437 415394831 /nfs/dbraw/zinc/39/48/31/415394831.db2.gz WEZUVAVFCSLOIF-UHFFFAOYSA-N 1 1 310.310 0.148 20 5 DCBDMO CCn1cc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])n1 ZINC000353056409 415422211 /nfs/dbraw/zinc/42/22/11/415422211.db2.gz KCCIQLXEGKZWBZ-SECBINFHSA-N 1 1 317.371 0.184 20 5 DCBDMO CCn1cc(S(=O)(=O)NC[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])n1 ZINC000353056409 415422218 /nfs/dbraw/zinc/42/22/18/415422218.db2.gz KCCIQLXEGKZWBZ-SECBINFHSA-N 1 1 317.371 0.184 20 5 DCBDMO C[C@]1(CCCO)CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352884922 415360268 /nfs/dbraw/zinc/36/02/68/415360268.db2.gz BQRXUOPYJPBAMQ-UONOGXRCSA-N 1 1 312.370 0.779 20 5 DCBDMO COCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H](C)C(N)=O ZINC000078534066 415466500 /nfs/dbraw/zinc/46/65/00/415466500.db2.gz SPZAFBIKIKAOOE-NSHDSACASA-N 1 1 311.338 0.796 20 5 DCBDMO COCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H](C)C(N)=O ZINC000078534066 415466505 /nfs/dbraw/zinc/46/65/05/415466505.db2.gz SPZAFBIKIKAOOE-NSHDSACASA-N 1 1 311.338 0.796 20 5 DCBDMO CCC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC(C)(C)O ZINC000353485808 415563811 /nfs/dbraw/zinc/56/38/11/415563811.db2.gz DNZFRQINOOVVLP-GFCCVEGCSA-N 1 1 300.359 0.635 20 5 DCBDMO COC[C@@]1(C(=O)OC)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000296505041 415929420 /nfs/dbraw/zinc/92/94/20/415929420.db2.gz ZLRBIMFNODQPNE-CYBMUJFWSA-N 1 1 312.326 0.303 20 5 DCBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000152915886 415972833 /nfs/dbraw/zinc/97/28/33/415972833.db2.gz DHAHIMGLNQAVGD-LLVKDONJSA-N 1 1 324.385 0.321 20 5 DCBDMO Cc1nn(C)c(N2CC[C@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000301451056 416083469 /nfs/dbraw/zinc/08/34/69/416083469.db2.gz LMJIEIDTOPACIF-GFCCVEGCSA-N 1 1 309.370 0.795 20 5 DCBDMO C[NH+]1CCC(CCO)(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000357462791 416084466 /nfs/dbraw/zinc/08/44/66/416084466.db2.gz DAXGUZGMTIKIOK-UHFFFAOYSA-N 1 1 323.349 0.877 20 5 DCBDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000357857927 416142977 /nfs/dbraw/zinc/14/29/77/416142977.db2.gz FGQJLEOBVBHOGW-NSHDSACASA-N 1 1 312.374 0.819 20 5 DCBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000180539320 416197040 /nfs/dbraw/zinc/19/70/40/416197040.db2.gz JRTIQCOBWDQXMT-UHFFFAOYSA-N 1 1 305.338 0.740 20 5 DCBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000330668788 416227216 /nfs/dbraw/zinc/22/72/16/416227216.db2.gz ZFDMRAQPUQZDNC-TUAOUCFPSA-N 1 1 324.385 0.669 20 5 DCBDMO COc1cc(S(=O)(=O)N2CC[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC000187157946 416258830 /nfs/dbraw/zinc/25/88/30/416258830.db2.gz KGVNSSARRVTETB-SECBINFHSA-N 1 1 315.351 0.586 20 5 DCBDMO C[C@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000192187103 416302048 /nfs/dbraw/zinc/30/20/48/416302048.db2.gz XPLYIQFYZIYRBJ-JQWIXIFHSA-N 1 1 300.384 0.980 20 5 DCBDMO C[C@@H](O)C[N@H+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000192800557 416310966 /nfs/dbraw/zinc/31/09/66/416310966.db2.gz CMMOSDAVJQTRIK-GHMZBOCLSA-N 1 1 322.365 0.585 20 5 DCBDMO CC[C@@](C)([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(N)=O ZINC000428760888 287330140 /nfs/dbraw/zinc/33/01/40/287330140.db2.gz SZOLRBGTURYGNG-CQSZACIVSA-N 1 1 324.337 0.786 20 5 DCBDMO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+]2CCN1CCC2 ZINC000360833865 416413322 /nfs/dbraw/zinc/41/33/22/416413322.db2.gz YSZJQJIIVZXXEM-HNNXBMFYSA-N 1 1 318.377 0.643 20 5 DCBDMO C[C@H]1CC[N@@H+](CCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000533038595 416469597 /nfs/dbraw/zinc/46/95/97/416469597.db2.gz UUDSIJWXUKMETG-NSHDSACASA-N 1 1 308.338 0.215 20 5 DCBDMO CNc1nccc(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000594344905 416560701 /nfs/dbraw/zinc/56/07/01/416560701.db2.gz IYPMPPYIQSXTGI-GFCCVEGCSA-N 1 1 321.381 1.444 20 5 DCBDMO C[N@H+]1CCC[C@H](N2CCN(c3ncc([N+](=O)[O-])cn3)CC2)C1 ZINC000368706539 416685032 /nfs/dbraw/zinc/68/50/32/416685032.db2.gz GDVKCBKLSIJCBB-LBPRGKRZSA-N 1 1 306.370 0.601 20 5 DCBDMO CCOC(=O)CC[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441507166 416673620 /nfs/dbraw/zinc/67/36/20/416673620.db2.gz UKZSOPUJSJBNSF-NSHDSACASA-N 1 1 300.315 0.037 20 5 DCBDMO O=C(CC[N@@H+]1CC[C@@H](CO)[C@@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000558166775 416763006 /nfs/dbraw/zinc/76/30/06/416763006.db2.gz VNSDCNWQQURGIR-FZMZJTMJSA-N 1 1 323.349 0.599 20 5 DCBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000521231745 416998571 /nfs/dbraw/zinc/99/85/71/416998571.db2.gz QWKYRVPQIDIWAO-UHFFFAOYSA-N 1 1 324.385 0.765 20 5 DCBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000522901682 417069616 /nfs/dbraw/zinc/06/96/16/417069616.db2.gz RQBIJYVQBYYYMT-LBPRGKRZSA-N 1 1 322.365 0.603 20 5 DCBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H]3COCCO3)C2)nc1 ZINC000450556804 417239365 /nfs/dbraw/zinc/23/93/65/417239365.db2.gz BDLOSZHEANVXKH-DGCLKSJQSA-N 1 1 308.338 0.891 20 5 DCBDMO CC(C)c1[nH]nc(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000570232177 417326797 /nfs/dbraw/zinc/32/67/97/417326797.db2.gz AGRBXSIYJGXFFV-IUCAKERBSA-N 1 1 311.342 0.188 20 5 DCBDMO CO[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000451753882 417391702 /nfs/dbraw/zinc/39/17/02/417391702.db2.gz CESMYAALPPVPRW-CHWSQXEVSA-N 1 1 309.322 0.615 20 5 DCBDMO CO[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1O ZINC000451758485 417393867 /nfs/dbraw/zinc/39/38/67/417393867.db2.gz LACPCCBMEYFEEK-ZIAGYGMSSA-N 1 1 323.349 0.923 20 5 DCBDMO CCOc1cc(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000451638012 417368166 /nfs/dbraw/zinc/36/81/66/417368166.db2.gz YGHUJUWPOKMXNG-PHIMTYICSA-N 1 1 319.317 0.698 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000451628094 417369544 /nfs/dbraw/zinc/36/95/44/417369544.db2.gz OZZPKZRCBQZPMD-INWMFGNUSA-N 1 1 321.377 0.970 20 5 DCBDMO CN1CC[C@@H]2C[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000451628094 417369550 /nfs/dbraw/zinc/36/95/50/417369550.db2.gz OZZPKZRCBQZPMD-INWMFGNUSA-N 1 1 321.377 0.970 20 5 DCBDMO CN1CC[C@@H]2C[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000451628094 417369554 /nfs/dbraw/zinc/36/95/54/417369554.db2.gz OZZPKZRCBQZPMD-INWMFGNUSA-N 1 1 321.377 0.970 20 5 DCBDMO Cn1c(C(=O)NC[C@H]2CCC[N@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000452353243 417469930 /nfs/dbraw/zinc/46/99/30/417469930.db2.gz UCXUCLKISWCSEQ-LLVKDONJSA-N 1 1 310.354 0.510 20 5 DCBDMO CNc1nc(C(=O)N2CC[N@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000457085457 417683665 /nfs/dbraw/zinc/68/36/65/417683665.db2.gz HKQRAPVQVIAECT-JTQLQIEISA-N 1 1 323.353 0.170 20 5 DCBDMO CNc1nc(C(=O)N2CC[N@@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000457085457 417683669 /nfs/dbraw/zinc/68/36/69/417683669.db2.gz HKQRAPVQVIAECT-JTQLQIEISA-N 1 1 323.353 0.170 20 5 DCBDMO CC[NH+]1CCN(C(=O)CNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413117978 262201952 /nfs/dbraw/zinc/20/19/52/262201952.db2.gz KETCLILYAUBXFN-UHFFFAOYSA-N 1 1 311.317 0.705 20 5 DCBDMO C[C@@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000420643773 271375760 /nfs/dbraw/zinc/37/57/60/271375760.db2.gz WMHUELUZHOKCNT-PHIMTYICSA-N 1 1 322.365 0.585 20 5 DCBDMO C[C@@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000420643773 271375764 /nfs/dbraw/zinc/37/57/64/271375764.db2.gz WMHUELUZHOKCNT-PHIMTYICSA-N 1 1 322.365 0.585 20 5 DCBDMO CO[C@@H]1COC[C@@H]1[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000459824007 272012902 /nfs/dbraw/zinc/01/29/02/272012902.db2.gz JPPKLPLMOFHZNI-QWHCGFSZSA-N 1 1 309.322 0.845 20 5 DCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491799797 272105562 /nfs/dbraw/zinc/10/55/62/272105562.db2.gz WMXSVSDAJHMCGQ-WBTMPAOCSA-N 1 1 318.377 0.970 20 5 DCBDMO [NH3+][C@@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000261621465 274955105 /nfs/dbraw/zinc/95/51/05/274955105.db2.gz ABCZNWHEFOJMEQ-VIFPVBQESA-N 1 1 303.315 0.750 20 5 DCBDMO C[N@H+]1CC[C@@](O)(CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000545885469 288004077 /nfs/dbraw/zinc/00/40/77/288004077.db2.gz WLYMKZHVWOIRHJ-CQSZACIVSA-N 1 1 308.338 0.461 20 5 DCBDMO CN(CC[N@@H+](C)C1CC1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000547441054 288046364 /nfs/dbraw/zinc/04/63/64/288046364.db2.gz ZCNHHXHDHUAOSP-UHFFFAOYSA-N 1 1 314.367 0.705 20 5 DCBDMO Cn1ccnc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000562985383 288612437 /nfs/dbraw/zinc/61/24/37/288612437.db2.gz QJCMRYMYKBHEOJ-LLVKDONJSA-N 1 1 306.322 0.858 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000415603459 534337276 /nfs/dbraw/zinc/33/72/76/534337276.db2.gz DGDRJPZBJDWJDZ-UHFFFAOYSA-N 1 1 316.264 0.552 20 5 DCBDMO CC[NH+]1CCN(C(=O)CNc2ncc([N+](=O)[O-])cc2C)CC1 ZINC000181037723 521663454 /nfs/dbraw/zinc/66/34/54/521663454.db2.gz AAQISDNSXJQPDD-UHFFFAOYSA-N 1 1 307.354 0.874 20 5 DCBDMO CNS(=O)(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000190304264 522207097 /nfs/dbraw/zinc/20/70/97/522207097.db2.gz FFHSDMLYHDUXPP-UHFFFAOYSA-N 1 1 307.759 0.887 20 5 DCBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000161552621 523112863 /nfs/dbraw/zinc/11/28/63/523112863.db2.gz ISRRSJPDJQWRLH-LBPRGKRZSA-N 1 1 324.385 0.775 20 5 DCBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000269068676 526467430 /nfs/dbraw/zinc/46/74/30/526467430.db2.gz YFMSUKLPXZNBIG-CHWSQXEVSA-N 1 1 322.369 0.717 20 5 DCBDMO O=C(C[N@H+]1CC[C@H](CO)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000156179210 526805022 /nfs/dbraw/zinc/80/50/22/526805022.db2.gz YTVZAIFCRZMWCJ-NSHDSACASA-N 1 1 305.334 0.798 20 5 DCBDMO O=C(C[N@@H+]1CC[C@H](CO)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000156179210 526805026 /nfs/dbraw/zinc/80/50/26/526805026.db2.gz YTVZAIFCRZMWCJ-NSHDSACASA-N 1 1 305.334 0.798 20 5 DCBDMO CC[N@@H+](C)CCNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000299619036 527800860 /nfs/dbraw/zinc/80/08/60/527800860.db2.gz KYLFTZBQVMVMTF-UHFFFAOYSA-N 1 1 317.367 0.833 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCc3ccns3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025777824 659554244 /nfs/dbraw/zinc/55/42/44/659554244.db2.gz OZDGFPWVYSEYTD-LBELIVKGSA-N 1 1 322.390 0.397 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@H+](CCc3ccns3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025777824 659554247 /nfs/dbraw/zinc/55/42/47/659554247.db2.gz OZDGFPWVYSEYTD-LBELIVKGSA-N 1 1 322.390 0.397 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCc3ccns3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025777824 659554251 /nfs/dbraw/zinc/55/42/51/659554251.db2.gz OZDGFPWVYSEYTD-LBELIVKGSA-N 1 1 322.390 0.397 20 5 DCBDMO CCc1nocc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775483 659556788 /nfs/dbraw/zinc/55/67/88/659556788.db2.gz CWNLZLGRVPTKDE-BLUODKFWSA-N 1 1 320.349 0.449 20 5 DCBDMO Cc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])on1 ZINC001025775372 659557433 /nfs/dbraw/zinc/55/74/33/659557433.db2.gz SPCNWTNSXSTGCX-LBELIVKGSA-N 1 1 306.322 0.195 20 5 DCBDMO Cc1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])on1 ZINC001025775372 659557439 /nfs/dbraw/zinc/55/74/39/659557439.db2.gz SPCNWTNSXSTGCX-LBELIVKGSA-N 1 1 306.322 0.195 20 5 DCBDMO Cc1nc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001020140099 659671781 /nfs/dbraw/zinc/67/17/81/659671781.db2.gz YMJXSDNSPRMISG-DDHJBXDOSA-N 1 1 308.338 0.693 20 5 DCBDMO O=C(NC1(C2CC[NH+](CCCO)CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000148047 665758215 /nfs/dbraw/zinc/75/82/15/665758215.db2.gz BNYVRPCUZIBIGN-CHWSQXEVSA-N 1 1 311.382 0.395 20 5 DCBDMO Cc1noc(C)c1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000983649632 661997100 /nfs/dbraw/zinc/99/71/00/661997100.db2.gz PSECBKNIRMYSRW-HKUMRIAESA-N 1 1 322.365 0.941 20 5 DCBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1C[N@@H+](C)CCN1C ZINC000896575909 662294484 /nfs/dbraw/zinc/29/44/84/662294484.db2.gz DBWCXKGYBAPGSH-CMPLNLGQSA-N 1 1 309.370 0.297 20 5 DCBDMO O=C1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N1CC[N+](=O)[O-] ZINC000899887522 663197731 /nfs/dbraw/zinc/19/77/31/663197731.db2.gz URULFVZFXYTMOK-BETUJISGSA-N 1 1 303.318 0.380 20 5 DCBDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000901217970 663331206 /nfs/dbraw/zinc/33/12/06/663331206.db2.gz JLWMULDUNAAYPK-MLGOLLRUSA-N 1 1 319.361 0.935 20 5 DCBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)C[C@]1(O)CCOC1 ZINC000905904685 663588210 /nfs/dbraw/zinc/58/82/10/663588210.db2.gz MQEDJEIKMATAJS-UKRRQHHQSA-N 1 1 310.350 0.929 20 5 DCBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)C[C@]1(O)CCOC1 ZINC000905904685 663588212 /nfs/dbraw/zinc/58/82/12/663588212.db2.gz MQEDJEIKMATAJS-UKRRQHHQSA-N 1 1 310.350 0.929 20 5 DCBDMO CN1CC[N@@H+](C)CC(C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000906240116 663605133 /nfs/dbraw/zinc/60/51/33/663605133.db2.gz LBEUDCZZXMINIW-UHFFFAOYSA-N 1 1 306.366 0.704 20 5 DCBDMO CN1CC[N@@H+](C)CC(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000906817448 663643406 /nfs/dbraw/zinc/64/34/06/663643406.db2.gz OQHDGWIRMAVRBK-UHFFFAOYSA-N 1 1 320.393 0.747 20 5 DCBDMO C[N@@H+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000912748721 664222138 /nfs/dbraw/zinc/22/21/38/664222138.db2.gz DUTHHKYHXVOJPI-GFCCVEGCSA-N 1 1 322.365 0.532 20 5 DCBDMO C[N@H+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000912748721 664222141 /nfs/dbraw/zinc/22/21/41/664222141.db2.gz DUTHHKYHXVOJPI-GFCCVEGCSA-N 1 1 322.365 0.532 20 5 DCBDMO O=C(NC1CC[NH+](CCc2ccns2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002789870 666220046 /nfs/dbraw/zinc/22/00/46/666220046.db2.gz XPSJYCSARQYLEJ-CHWSQXEVSA-N 1 1 324.406 0.931 20 5 DCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](CCCO)C[C@H]2CC1 ZINC000946589099 666499983 /nfs/dbraw/zinc/49/99/83/666499983.db2.gz FYWADAJULVFNKF-XJFOESAGSA-N 1 1 311.382 0.204 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2C[N@H+](CCCO)C[C@H]2CC1 ZINC000946589099 666499984 /nfs/dbraw/zinc/49/99/84/666499984.db2.gz FYWADAJULVFNKF-XJFOESAGSA-N 1 1 311.382 0.204 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](CCCO)C[C@H]2CC1 ZINC000946589099 666499985 /nfs/dbraw/zinc/49/99/85/666499985.db2.gz FYWADAJULVFNKF-XJFOESAGSA-N 1 1 311.382 0.204 20 5 DCBDMO Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)on1 ZINC000996429235 666791115 /nfs/dbraw/zinc/79/11/15/666791115.db2.gz NAWSKTXDFNRNOA-CHWSQXEVSA-N 1 1 308.338 0.729 20 5 DCBDMO Cn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001034643764 667089815 /nfs/dbraw/zinc/08/98/15/667089815.db2.gz RYLINXKAEQITGQ-HBJVGIJOSA-N 1 1 321.381 0.602 20 5 DCBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000863328941 667130921 /nfs/dbraw/zinc/13/09/21/667130921.db2.gz HJJIKZBJQNORKB-JHAQOBCDSA-N 1 1 305.334 0.791 20 5 DCBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000754083057 668041159 /nfs/dbraw/zinc/04/11/59/668041159.db2.gz SQTWSFGHGPKUOX-GFCCVEGCSA-N 1 1 320.349 0.475 20 5 DCBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000754083057 668041160 /nfs/dbraw/zinc/04/11/60/668041160.db2.gz SQTWSFGHGPKUOX-GFCCVEGCSA-N 1 1 320.349 0.475 20 5 DCBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H](C)C1 ZINC000839682995 668134220 /nfs/dbraw/zinc/13/42/20/668134220.db2.gz JMOQLTFDVOXMFK-REWJHTLYSA-N 1 1 313.398 0.905 20 5 DCBDMO CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H](C)C1 ZINC000839682995 668134224 /nfs/dbraw/zinc/13/42/24/668134224.db2.gz JMOQLTFDVOXMFK-REWJHTLYSA-N 1 1 313.398 0.905 20 5 DCBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H](C)C1 ZINC000839682995 668134229 /nfs/dbraw/zinc/13/42/29/668134229.db2.gz JMOQLTFDVOXMFK-REWJHTLYSA-N 1 1 313.398 0.905 20 5 DCBDMO C[N@@H+]1CCCC[C@@H]1C(=O)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000761401736 668326245 /nfs/dbraw/zinc/32/62/45/668326245.db2.gz FNEDLOUHCHWYCZ-GFCCVEGCSA-N 1 1 309.322 0.784 20 5 DCBDMO C[N@H+]1CCCC[C@@H]1C(=O)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000761401736 668326249 /nfs/dbraw/zinc/32/62/49/668326249.db2.gz FNEDLOUHCHWYCZ-GFCCVEGCSA-N 1 1 309.322 0.784 20 5 DCBDMO COC(=O)C1(O)CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776599119 668879034 /nfs/dbraw/zinc/87/90/34/668879034.db2.gz TXQAJCGSWFRFJI-ZDUSSCGKSA-N 1 1 324.333 0.628 20 5 DCBDMO C[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C(C)(C)C ZINC000880614052 669248753 /nfs/dbraw/zinc/24/87/53/669248753.db2.gz PTTLMGVMJYXFHT-LBPRGKRZSA-N 1 1 309.370 0.980 20 5 DCBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1C[N@H+](C)CCO1 ZINC000787132689 669352861 /nfs/dbraw/zinc/35/28/61/669352861.db2.gz JYCLKCHYNAPRGN-ZANVPECISA-N 1 1 308.338 0.626 20 5 DCBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1C[N@@H+](C)CCO1 ZINC000787132689 669352865 /nfs/dbraw/zinc/35/28/65/669352865.db2.gz JYCLKCHYNAPRGN-ZANVPECISA-N 1 1 308.338 0.626 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[NH+]1CCSCC1 ZINC000932615622 669388616 /nfs/dbraw/zinc/38/86/16/669388616.db2.gz CWWYNDQZUZUBIR-UHFFFAOYSA-N 1 1 313.383 0.265 20 5 DCBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000808160480 670393687 /nfs/dbraw/zinc/39/36/87/670393687.db2.gz VONZQLCEHSGYAY-RYUDHWBXSA-N 1 1 320.349 0.458 20 5 DCBDMO Cn1ncc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000819308778 671110331 /nfs/dbraw/zinc/11/03/31/671110331.db2.gz FFRFHSANXBHTTC-GFCCVEGCSA-N 1 1 307.310 0.253 20 5 DCBDMO COC(=O)[C@@]1(OC)CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000859558938 671125910 /nfs/dbraw/zinc/12/59/10/671125910.db2.gz OBUZUJCZFJMLCQ-DZGCQCFKSA-N 1 1 324.333 0.892 20 5 DCBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000820249216 671182292 /nfs/dbraw/zinc/18/22/92/671182292.db2.gz JLRMMTIVJYDNJM-UHFFFAOYSA-N 1 1 320.349 0.581 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000821776743 671292033 /nfs/dbraw/zinc/29/20/33/671292033.db2.gz KNGHTZPFDLRROI-YOGCLGLASA-N 1 1 307.354 0.841 20 5 DCBDMO C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[C@H](CO)C1 ZINC000826702333 671497351 /nfs/dbraw/zinc/49/73/51/671497351.db2.gz HUNGRSJIUWHSPH-SOUVJXGZSA-N 1 1 319.361 0.833 20 5 DCBDMO C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[C@H](CO)C1 ZINC000826702333 671497352 /nfs/dbraw/zinc/49/73/52/671497352.db2.gz HUNGRSJIUWHSPH-SOUVJXGZSA-N 1 1 319.361 0.833 20 5 DCBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H](C)[N@H+]1CCO ZINC000836870246 671835879 /nfs/dbraw/zinc/83/58/79/671835879.db2.gz WLSUEYVXFGFILG-PHIMTYICSA-N 1 1 322.365 0.704 20 5 DCBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H](C)[N@@H+]1CCO ZINC000836870246 671835884 /nfs/dbraw/zinc/83/58/84/671835884.db2.gz WLSUEYVXFGFILG-PHIMTYICSA-N 1 1 322.365 0.704 20 5 DCBDMO O=[N+]([O-])c1ccc([C@H](O)CN[C@@H](CO)C[NH+]2CCCC2)cc1 ZINC000843114107 672063248 /nfs/dbraw/zinc/06/32/48/672063248.db2.gz CZKJZYLXKNPIDF-UKRRQHHQSA-N 1 1 309.366 0.675 20 5 DCBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2cncc(F)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139356 693709748 /nfs/dbraw/zinc/70/97/48/693709748.db2.gz YYDPHJRKMRICOJ-FDYHWXHSSA-N 1 1 308.313 0.623 20 5 DCBDMO Cc1nnsc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020139622 693710656 /nfs/dbraw/zinc/71/06/56/693710656.db2.gz IGGDQUNOECXHQK-ZYUZMQFOSA-N 1 1 311.367 0.249 20 5 DCBDMO Cn1cc(C[N@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)cn1 ZINC001072721568 694656743 /nfs/dbraw/zinc/65/67/43/694656743.db2.gz XZQJBYAKTVEHBS-CHWSQXEVSA-N 1 1 319.365 0.120 20 5 DCBDMO Cn1cc(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)cn1 ZINC001072721568 694656746 /nfs/dbraw/zinc/65/67/46/694656746.db2.gz XZQJBYAKTVEHBS-CHWSQXEVSA-N 1 1 319.365 0.120 20 5 DCBDMO Cn1cc(C[N@H+]2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)cn1 ZINC001072721568 694656747 /nfs/dbraw/zinc/65/67/47/694656747.db2.gz XZQJBYAKTVEHBS-CHWSQXEVSA-N 1 1 319.365 0.120 20 5 DCBDMO Cc1oncc1C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001072726052 694657240 /nfs/dbraw/zinc/65/72/40/694657240.db2.gz ZLTLLSFHMZOFQP-CHWSQXEVSA-N 1 1 320.349 0.683 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)n1 ZINC001569435475 1161059434 /nfs/dbraw/zinc/05/94/34/1161059434.db2.gz JWVDKWVLTSSTPQ-LBPRGKRZSA-N 1 1 322.365 0.875 20 5 DCBDMO C[C@@H]1[C@@H](CO)CCN1C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001576574740 1164400612 /nfs/dbraw/zinc/40/06/12/1164400612.db2.gz YGOIIAFFWILTDN-HFAKWTLXSA-N 1 1 307.350 0.998 20 5 DCBDMO C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC2(CC[NH2+]CC2)O1 ZINC001576807232 1164471068 /nfs/dbraw/zinc/47/10/68/1164471068.db2.gz OJUAPCQOBIZDKN-GFCCVEGCSA-N 1 1 309.370 0.634 20 5 DCBDMO C[NH2+]CCOCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001578709814 1165089437 /nfs/dbraw/zinc/08/94/37/1165089437.db2.gz PPWQZGDVJZKFQW-UHFFFAOYSA-N 1 1 307.310 0.437 20 5 DCBDMO O=C(CNc1ccccc1[N+](=O)[O-])Nc1cc2n(n1)CC[NH2+]C2 ZINC001580558249 1165638244 /nfs/dbraw/zinc/63/82/44/1165638244.db2.gz SAVMPLHFXLSQEP-UHFFFAOYSA-N 1 1 316.321 0.945 20 5 DCBDMO COCC[N@@H+](C)CCNc1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001591420734 1167278465 /nfs/dbraw/zinc/27/84/65/1167278465.db2.gz NVJBZZVHUOEGPX-UHFFFAOYSA-N 1 1 322.329 0.160 20 5 DCBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCc1c[nH+]c2n1CCC2 ZINC001595773917 1167978035 /nfs/dbraw/zinc/97/80/35/1167978035.db2.gz SSFGMPKODWTTLN-UHFFFAOYSA-N 1 1 317.305 0.216 20 5 DCBDMO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC001609602346 1171038990 /nfs/dbraw/zinc/03/89/90/1171038990.db2.gz KBAZDXRDQLBEGY-LBPRGKRZSA-N 1 1 316.321 0.732 20 5 DCBDMO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001620435617 1171402809 /nfs/dbraw/zinc/40/28/09/1171402809.db2.gz CIXMVUMOJRSBSW-YPMHNXCESA-N 1 1 311.294 0.821 20 5 DCBDMO C[C@@]1(CO)C[C@@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001620435617 1171402814 /nfs/dbraw/zinc/40/28/14/1171402814.db2.gz CIXMVUMOJRSBSW-YPMHNXCESA-N 1 1 311.294 0.821 20 5 DCBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H](c2nn[nH]n2)C1 ZINC001620535863 1171403771 /nfs/dbraw/zinc/40/37/71/1171403771.db2.gz DEFXBRVVIYCTMO-JTQLQIEISA-N 1 1 304.310 0.976 20 5 DCBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](Nc3ncccn3)C2)c1 ZINC001620647717 1171405657 /nfs/dbraw/zinc/40/56/57/1171405657.db2.gz BVOXYJSKCFZTAO-LLVKDONJSA-N 1 1 303.326 0.768 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+](C)CCO ZINC001622552679 1171426997 /nfs/dbraw/zinc/42/69/97/1171426997.db2.gz KYCAOPODGVRSCU-UHFFFAOYSA-N 1 1 317.367 0.106 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+](C)CCO ZINC001622552679 1171427000 /nfs/dbraw/zinc/42/70/00/1171427000.db2.gz KYCAOPODGVRSCU-UHFFFAOYSA-N 1 1 317.367 0.106 20 5 DCBDMO CC[N@H+]1CC[C@H]1CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC001636658122 1171746275 /nfs/dbraw/zinc/74/62/75/1171746275.db2.gz XRXDGAYKBOPQTI-LBPRGKRZSA-N 1 1 321.333 0.997 20 5 DCBDMO C[N@@H+](CCNc1ncc([N+](=O)[O-])cc1Cl)CCOCCO ZINC001640320471 1171876374 /nfs/dbraw/zinc/87/63/74/1171876374.db2.gz NDFIMPSFQFHSBJ-UHFFFAOYSA-N 1 1 318.761 0.996 20 5 DCBDMO COC[C@@]1(CO)CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001643116880 1171966599 /nfs/dbraw/zinc/96/65/99/1171966599.db2.gz DNJTYWKWPPLDMC-CABCVRRESA-N 1 1 310.350 0.959 20 5 DCBDMO CO[C@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC001653654230 1173793106 /nfs/dbraw/zinc/79/31/06/1173793106.db2.gz VVOFGYJLIHEXRA-OLZOCXBDSA-N 1 1 312.370 0.899 20 5 DCBDMO CC[N@H+](CCNC(=O)CNC(C)=O)Cc1ccccc1[N+](=O)[O-] ZINC001663350102 1174287729 /nfs/dbraw/zinc/28/77/29/1174287729.db2.gz MPGDHGYORUBLAF-UHFFFAOYSA-N 1 1 322.365 0.669 20 5 DCBDMO CC[N@@H+](CCNC(=O)CNC(C)=O)Cc1ccccc1[N+](=O)[O-] ZINC001663350102 1174287735 /nfs/dbraw/zinc/28/77/35/1174287735.db2.gz MPGDHGYORUBLAF-UHFFFAOYSA-N 1 1 322.365 0.669 20 5 DCBDMO O=[N+]([O-])c1ccc(C[NH2+]C(CO)CO)c(Br)c1 ZINC000087753332 1174777503 /nfs/dbraw/zinc/77/75/03/1174777503.db2.gz HDFMYNVGRHTJGU-UHFFFAOYSA-N 1 1 305.128 0.800 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C/C=C/CNC(=O)c1ccoc1 ZINC001668702647 1174823924 /nfs/dbraw/zinc/82/39/24/1174823924.db2.gz PRDFJJQYXCYUQB-NSCUHMNNSA-N 1 1 319.321 0.997 20 5 DCBDMO CC(C)=CC[NH+]1CCC(CO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001700336773 1178586739 /nfs/dbraw/zinc/58/67/39/1178586739.db2.gz YIULDYARPZUIPT-CHWSQXEVSA-N 1 1 311.382 0.561 20 5 DCBDMO CC(C)N(CC[N@@H+](C)CCn1cncn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001700971108 1178852320 /nfs/dbraw/zinc/85/23/20/1178852320.db2.gz LYJZILMVBHPANK-CHWSQXEVSA-N 1 1 324.385 0.112 20 5 DCBDMO CC(C)N(CC[N@H+](C)CCn1cncn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001700971108 1178852325 /nfs/dbraw/zinc/85/23/25/1178852325.db2.gz LYJZILMVBHPANK-CHWSQXEVSA-N 1 1 324.385 0.112 20 5 DCBDMO CC(C)N(CC[N@@H+](C)CCn1cncn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001700971108 1178852332 /nfs/dbraw/zinc/85/23/32/1178852332.db2.gz LYJZILMVBHPANK-CHWSQXEVSA-N 1 1 324.385 0.112 20 5 DCBDMO Cc1ncc(C[NH2+]C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC001733242385 1186198480 /nfs/dbraw/zinc/19/84/80/1186198480.db2.gz DOQAFDFSAGRTHA-VXGBXAGGSA-N 1 1 305.338 0.189 20 5 DCBDMO CCCCC[NH+]1CCC(CO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001733913858 1186495447 /nfs/dbraw/zinc/49/54/47/1186495447.db2.gz ZLBRRALIWKIVFM-CHWSQXEVSA-N 1 1 313.398 0.785 20 5 DCBDMO CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cnc(C)nc1 ZINC001753142840 1188514165 /nfs/dbraw/zinc/51/41/65/1188514165.db2.gz CCOWARMXBQKUBH-ZIAGYGMSSA-N 1 1 321.381 0.778 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C/C=C/CNC(=O)c1cc[nH]c1 ZINC001754123529 1188750595 /nfs/dbraw/zinc/75/05/95/1188750595.db2.gz HXSVJGYJPMLIQU-NSCUHMNNSA-N 1 1 318.337 0.732 20 5 DCBDMO COc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)n1 ZINC001164665047 719394196 /nfs/dbraw/zinc/39/41/96/719394196.db2.gz FKLBZXZUSYWPEQ-ZJUUUORDSA-N 1 1 309.326 0.221 20 5 DCBDMO C[N@H+]1CCO[C@@H]2CN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])C[C@@H]21 ZINC001164668720 719407958 /nfs/dbraw/zinc/40/79/58/719407958.db2.gz KBBVKCWAEKDOGP-VHSXEESVSA-N 1 1 314.729 0.401 20 5 DCBDMO Cc1[nH+]c(N)ccc1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC001167782745 748233283 /nfs/dbraw/zinc/23/32/83/748233283.db2.gz ZDUCWWWZPOXMMO-UHFFFAOYSA-N 1 1 302.294 0.986 20 5 DCBDMO COC(=O)c1cc([N+](=O)[O-])c(-n2cnc(C[NH3+])n2)cc1OC ZINC001168757208 754461325 /nfs/dbraw/zinc/46/13/25/754461325.db2.gz SAVUXHIESQQUAG-UHFFFAOYSA-N 1 1 307.266 0.429 20 5 DCBDMO CC(=O)NCCC[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC001096243337 754504911 /nfs/dbraw/zinc/50/49/11/754504911.db2.gz RDDFWOSMYDLNFH-UHFFFAOYSA-N 1 1 307.354 0.638 20 5 DCBDMO Cc1ncoc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048813104 754955066 /nfs/dbraw/zinc/95/50/66/754955066.db2.gz AAXAUTOEHKXEPU-YVECIDJPSA-N 1 1 320.349 0.538 20 5 DCBDMO Cc1ncoc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001048813104 754955072 /nfs/dbraw/zinc/95/50/72/754955072.db2.gz AAXAUTOEHKXEPU-YVECIDJPSA-N 1 1 320.349 0.538 20 5 DCBDMO Cc1ncoc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001048813104 754955079 /nfs/dbraw/zinc/95/50/79/754955079.db2.gz AAXAUTOEHKXEPU-YVECIDJPSA-N 1 1 320.349 0.538 20 5 DCBDMO Cc1ncc(CC(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)o1 ZINC001129302436 755211321 /nfs/dbraw/zinc/21/13/21/755211321.db2.gz DKJADRFHXJLYJK-UHFFFAOYSA-N 1 1 322.325 0.073 20 5 DCBDMO CN(C)CC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169056299 760566249 /nfs/dbraw/zinc/56/62/49/760566249.db2.gz RJUOVUGGKUIIHH-BFHYXJOUSA-N 1 1 312.414 0.574 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1ccsn1 ZINC001130095549 763122051 /nfs/dbraw/zinc/12/20/51/763122051.db2.gz KMCIJXYPNJYRLJ-UHFFFAOYSA-N 1 1 310.339 0.304 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1cc(F)c[nH]1 ZINC001131471691 763828036 /nfs/dbraw/zinc/82/80/36/763828036.db2.gz DIHNXZPOXPEPHD-UHFFFAOYSA-N 1 1 310.289 0.315 20 5 DCBDMO CN1CC(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)=NC1=O ZINC001133332728 764928277 /nfs/dbraw/zinc/92/82/77/764928277.db2.gz VVXPQWPVDWKWOL-UHFFFAOYSA-N 1 1 319.321 0.554 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)C1(CF)CCC1 ZINC001134040767 765308207 /nfs/dbraw/zinc/30/82/07/765308207.db2.gz SJXXXRYJWCLWCA-UHFFFAOYSA-N 1 1 313.333 0.674 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1nccs1 ZINC001135656665 766027540 /nfs/dbraw/zinc/02/75/40/766027540.db2.gz ORXWAAMRKKPYFI-UHFFFAOYSA-N 1 1 310.339 0.304 20 5 DCBDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001136668795 766421282 /nfs/dbraw/zinc/42/12/82/766421282.db2.gz CAJYIVKOQXGBAD-DOMZBBRYSA-N 1 1 323.349 0.545 20 5 DCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001136761606 766502722 /nfs/dbraw/zinc/50/27/22/766502722.db2.gz RDOONXLZTVKSRU-NSHDSACASA-N 1 1 307.354 0.153 20 5 DCBDMO CN1CC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001120573243 767083516 /nfs/dbraw/zinc/08/35/16/767083516.db2.gz NCHLSWVKRZNEFN-CHWSQXEVSA-N 1 1 309.366 0.876 20 5 DCBDMO C[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@H]1CN(C)CCN1C ZINC001120873071 767283145 /nfs/dbraw/zinc/28/31/45/767283145.db2.gz CJMGSGXKCGVPLM-GHMZBOCLSA-N 1 1 319.369 0.684 20 5 DCBDMO C[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@H]1CN(C)CC[N@@H+]1C ZINC001120873071 767283146 /nfs/dbraw/zinc/28/31/46/767283146.db2.gz CJMGSGXKCGVPLM-GHMZBOCLSA-N 1 1 319.369 0.684 20 5 DCBDMO C[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@H]1CN(C)CC[N@H+]1C ZINC001120873071 767283148 /nfs/dbraw/zinc/28/31/48/767283148.db2.gz CJMGSGXKCGVPLM-GHMZBOCLSA-N 1 1 319.369 0.684 20 5 DCBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2COC[C@H]2N)c1F ZINC001173187824 769556888 /nfs/dbraw/zinc/55/68/88/769556888.db2.gz GZVXUHFSVRVWLD-FBIMIBRVSA-N 1 1 313.329 0.989 20 5 DCBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC001176902017 770242505 /nfs/dbraw/zinc/24/25/05/770242505.db2.gz FCKFFAYEWFCEKC-WDEREUQCSA-N 1 1 305.338 0.881 20 5 DCBDMO CCOC(=O)c1ccnc(-n2cnc(C[NH3+])cc2=N)c1[N+](=O)[O-] ZINC001156628304 770881440 /nfs/dbraw/zinc/88/14/40/770881440.db2.gz MRQWGDAYELXALA-UHFFFAOYSA-N 1 1 318.293 0.290 20 5 DCBDMO Cc1cc(OCC(=O)N2CC([NH2+]C3COC3)C2)ccc1[N+](=O)[O-] ZINC001157602071 771640012 /nfs/dbraw/zinc/64/00/12/771640012.db2.gz LXQSMFAMJYFFQC-UHFFFAOYSA-N 1 1 321.333 0.481 20 5 DCBDMO CCC(C)(C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157767144 771665928 /nfs/dbraw/zinc/66/59/28/771665928.db2.gz ICKRFMOEHQWCTP-GHMZBOCLSA-N 1 1 314.386 0.052 20 5 DCBDMO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC001186791084 772091308 /nfs/dbraw/zinc/09/13/08/772091308.db2.gz KEDUJEHTCUPKBF-WDEREUQCSA-N 1 1 322.369 0.878 20 5 DCBDMO CC[N@H+]1CC[C@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC001187422269 772184084 /nfs/dbraw/zinc/18/40/84/772184084.db2.gz GOPPUNKCHBHUHH-VIFPVBQESA-N 1 1 314.367 0.748 20 5 DCBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)[C@@H](C)C[N@@H+]1CCO ZINC001162249578 772347155 /nfs/dbraw/zinc/34/71/55/772347155.db2.gz SCTWBBUHJBUCMU-MNOVXSKESA-N 1 1 308.338 0.517 20 5 DCBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)[C@@H](C)C[N@H+]1CCO ZINC001162249578 772347160 /nfs/dbraw/zinc/34/71/60/772347160.db2.gz SCTWBBUHJBUCMU-MNOVXSKESA-N 1 1 308.338 0.517 20 5 DCBDMO C[NH+](C)/C=C/c1cc(N2CCN(C(N)=O)CC2)ncc1[N+](=O)[O-] ZINC001166572888 772825702 /nfs/dbraw/zinc/82/57/02/772825702.db2.gz LNMDJMRNGOSLEK-ONEGZZNKSA-N 1 1 320.353 0.723 20 5 DCBDMO NC(=O)[C@@H]1CN(c2ccc3c(cccc3[N+](=O)[O-])n2)CC[NH2+]1 ZINC001166724787 772850939 /nfs/dbraw/zinc/85/09/39/772850939.db2.gz FSTRLIQFBIXAGV-NSHDSACASA-N 1 1 301.306 0.407 20 5 DCBDMO COC[C@@]1(CO)CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC001194408606 773186922 /nfs/dbraw/zinc/18/69/22/773186922.db2.gz FPMPKZHBUOLPHT-HNNXBMFYSA-N 1 1 323.349 0.525 20 5 DCBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001195115868 773328608 /nfs/dbraw/zinc/32/86/08/773328608.db2.gz WXLNRTHQWKYDCM-LLVKDONJSA-N 1 1 308.338 0.167 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]CCOCC2CC2)CC1 ZINC001200472962 774359619 /nfs/dbraw/zinc/35/96/19/774359619.db2.gz WFACEPORPMEFCI-ZIAGYGMSSA-N 1 1 311.382 0.659 20 5 DCBDMO C[N@@H+](CCNC(=O)Cc1nc[nH]n1)Cc1ccc([N+](=O)[O-])cc1 ZINC001480934902 939435131 /nfs/dbraw/zinc/43/51/31/939435131.db2.gz RRTSIFCKOBPCJO-UHFFFAOYSA-N 1 1 318.337 0.504 20 5 DCBDMO O=C(NCC[N@@H+](CC1CCOCC1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001481169328 939593045 /nfs/dbraw/zinc/59/30/45/939593045.db2.gz PIBGEFYAWJHEEP-ZIAGYGMSSA-N 1 1 311.382 0.659 20 5 DCBDMO O=C(NCC[N@H+](CC1CCOCC1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001481169328 939593046 /nfs/dbraw/zinc/59/30/46/939593046.db2.gz PIBGEFYAWJHEEP-ZIAGYGMSSA-N 1 1 311.382 0.659 20 5 DCBDMO O=C(NCC[N@@H+](CC1CCOCC1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001481169328 939593048 /nfs/dbraw/zinc/59/30/48/939593048.db2.gz PIBGEFYAWJHEEP-ZIAGYGMSSA-N 1 1 311.382 0.659 20 5 DCBDMO CC[N@H+]1CC[C@H](CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001319592726 945626772 /nfs/dbraw/zinc/62/67/72/945626772.db2.gz ZTKPHEFZCKZLLM-LLVKDONJSA-N 1 1 308.338 0.215 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC(F)(F)[C@H](CO)C2)c1 ZINC001324277306 947375653 /nfs/dbraw/zinc/37/56/53/947375653.db2.gz GBCOWXJGPXRKEG-ONGXEEELSA-N 1 1 320.296 0.102 20 5 DCBDMO Nc1cc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nc[nH+]1 ZINC001338593096 953034889 /nfs/dbraw/zinc/03/48/89/953034889.db2.gz XKBOXBIQIGULFJ-UHFFFAOYSA-N 1 1 301.310 0.689 20 5 DCBDMO Cn1c(C[N+](=O)[O-])nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001339666893 953110809 /nfs/dbraw/zinc/11/08/09/953110809.db2.gz NQXYXZMTQQAIAF-UHFFFAOYSA-N 1 1 322.394 0.976 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC001341044692 953208751 /nfs/dbraw/zinc/20/87/51/953208751.db2.gz MCINBSSURPASAG-NWDGAFQWSA-N 1 1 307.354 0.843 20 5 DCBDMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC001346473754 953898622 /nfs/dbraw/zinc/89/86/22/953898622.db2.gz WAGWCHZWRAFKRS-XHDPSFHLSA-N 1 1 316.361 0.872 20 5 DCBDMO Cc1ccc(CNC(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)cc1[N+](=O)[O-] ZINC001348992779 954558391 /nfs/dbraw/zinc/55/83/91/954558391.db2.gz JSYALCJSXTVORZ-SWLSCSKDSA-N 1 1 318.377 0.908 20 5 DCBDMO C[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC001298641145 958670755 /nfs/dbraw/zinc/67/07/55/958670755.db2.gz PRDMJUZNQKPNPI-JTQLQIEISA-N 1 1 307.354 0.885 20 5 DCBDMO Cn1nncc1C(=O)NCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001317443446 960124262 /nfs/dbraw/zinc/12/42/62/960124262.db2.gz KHNNYBPVVKHYRF-UHFFFAOYSA-N 1 1 318.337 0.585 20 5 DCBDMO Cn1nncc1C(=O)NCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001317443446 960124268 /nfs/dbraw/zinc/12/42/68/960124268.db2.gz KHNNYBPVVKHYRF-UHFFFAOYSA-N 1 1 318.337 0.585 20 5 DCBDMO Cn1cc([C@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)nn1 ZINC001308149492 960168921 /nfs/dbraw/zinc/16/89/21/960168921.db2.gz DLHZTTDVKIPZGK-NSHDSACASA-N 1 1 305.342 0.799 20 5 DCBDMO COc1ccc(NC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)cc1[N+](=O)[O-] ZINC001466329130 1016067595 /nfs/dbraw/zinc/06/75/95/1016067595.db2.gz JCWLBOJXKBETOU-IINYFYTJSA-N 1 1 309.322 0.997 20 5 DCBDMO COc1ccc(NC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)cc1[N+](=O)[O-] ZINC001466329130 1016067606 /nfs/dbraw/zinc/06/76/06/1016067606.db2.gz JCWLBOJXKBETOU-IINYFYTJSA-N 1 1 309.322 0.997 20 5 DCBDMO C[N@@H+](CCNC(=O)c1ccccc1[N+](=O)[O-])CCOCCO ZINC001471514425 1016591236 /nfs/dbraw/zinc/59/12/36/1016591236.db2.gz JEGYBGNFHNWGML-UHFFFAOYSA-N 1 1 311.338 0.265 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H](O)CC23CCC3)c1 ZINC001473566995 1016949268 /nfs/dbraw/zinc/94/92/68/1016949268.db2.gz GXXADUFHMAOWAH-STQMWFEESA-N 1 1 310.354 0.532 20 5 DCBDMO Cc1cc(C(=O)N(C)CC[N@@H+](C)CCO)c(N)c([N+](=O)[O-])c1 ZINC001454175753 1008976257 /nfs/dbraw/zinc/97/62/57/1008976257.db2.gz ZJOCKMPORNHQFE-UHFFFAOYSA-N 1 1 310.354 0.482 20 5 DCBDMO CCc1ccc(C(=O)NC[C@]2(CO)COCC[NH2+]2)cc1[N+](=O)[O-] ZINC001454775946 1009308094 /nfs/dbraw/zinc/30/80/94/1009308094.db2.gz IZESQYKEROXPIO-HNNXBMFYSA-N 1 1 323.349 0.238 20 5 DCBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001444544588 1011055668 /nfs/dbraw/zinc/05/56/68/1011055668.db2.gz CLITVRMHCQXRES-GXSJLCMTSA-N 1 1 307.354 0.984 20 5 DCBDMO C[C@H]1[C@H](Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC[N@H+]1C ZINC001458613483 1012230341 /nfs/dbraw/zinc/23/03/41/1012230341.db2.gz CGWWTDWWMJCOGS-DTWKUNHWSA-N 1 1 314.367 0.747 20 5 DCBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001558159006 1012327631 /nfs/dbraw/zinc/32/76/31/1012327631.db2.gz OQISDLSBXLXLRT-LSDHHAIUSA-N 1 1 319.361 0.805 20 5 DCBDMO O=C(CNc1ccccc1[N+](=O)[O-])N1CC([NH2+]C2COC2)C1 ZINC001558611336 1012373827 /nfs/dbraw/zinc/37/38/27/1012373827.db2.gz QWFSVRJEIYCKFH-UHFFFAOYSA-N 1 1 306.322 0.206 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC001559848880 1012435905 /nfs/dbraw/zinc/43/59/05/1012435905.db2.gz FTHUEOVKKBDLPH-GFCCVEGCSA-N 1 1 303.265 0.458 20 5 DCBDMO COCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001496500792 1019356111 /nfs/dbraw/zinc/35/61/11/1019356111.db2.gz FFFRGSJPBZCDOI-ZIAGYGMSSA-N 1 1 313.398 0.859 20 5 DCBDMO COCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001496500792 1019356121 /nfs/dbraw/zinc/35/61/21/1019356121.db2.gz FFFRGSJPBZCDOI-ZIAGYGMSSA-N 1 1 313.398 0.859 20 5 DCBDMO COCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001496500792 1019356134 /nfs/dbraw/zinc/35/61/34/1019356134.db2.gz FFFRGSJPBZCDOI-ZIAGYGMSSA-N 1 1 313.398 0.859 20 5 DCBDMO Cc1oncc1C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001501951212 1019584730 /nfs/dbraw/zinc/58/47/30/1019584730.db2.gz XVQHOLBCMVDUQB-VXGBXAGGSA-N 1 1 308.338 0.777 20 5 DCBDMO CC(C)[N@H+](CC(N)=O)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181519434 199310270 /nfs/dbraw/zinc/31/02/70/199310270.db2.gz HWQNAXLHSRIXKR-NSHDSACASA-N 1 1 311.338 0.530 20 5 DCBDMO COCC[N@@H+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000181096063 199252308 /nfs/dbraw/zinc/25/23/08/199252308.db2.gz JFIPWQKSTCKJLH-NSHDSACASA-N 1 1 322.365 0.970 20 5 DCBDMO COCC[N@H+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000181096063 199252310 /nfs/dbraw/zinc/25/23/10/199252310.db2.gz JFIPWQKSTCKJLH-NSHDSACASA-N 1 1 322.365 0.970 20 5 DCBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000186962060 200038509 /nfs/dbraw/zinc/03/85/09/200038509.db2.gz JMLUKQLHRCRCGL-WDEREUQCSA-N 1 1 322.365 0.825 20 5 DCBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000186962060 200038511 /nfs/dbraw/zinc/03/85/11/200038511.db2.gz JMLUKQLHRCRCGL-WDEREUQCSA-N 1 1 322.365 0.825 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(C(=O)NCCn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000454721996 240804430 /nfs/dbraw/zinc/80/44/30/240804430.db2.gz VSZRAASVZUYZFW-PWSUYJOCSA-N 1 1 308.342 0.137 20 5 DCBDMO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCC[NH+]1CCC1 ZINC000347155118 254134125 /nfs/dbraw/zinc/13/41/25/254134125.db2.gz HMYCUCMTIYICHH-UHFFFAOYSA-N 1 1 313.379 0.762 20 5 DCBDMO C[C@@H]1[C@H](N2CCCC2)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000347305602 254146750 /nfs/dbraw/zinc/14/67/50/254146750.db2.gz LWUZNHBNAYTIJN-BPLDGKMQSA-N 1 1 323.397 0.711 20 5 DCBDMO C[C@@H]1[C@H](N2CCCC2)CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000347305602 254146751 /nfs/dbraw/zinc/14/67/51/254146751.db2.gz LWUZNHBNAYTIJN-BPLDGKMQSA-N 1 1 323.397 0.711 20 5 DCBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@H](C)CO)cc1[N+](=O)[O-] ZINC000349300764 254279769 /nfs/dbraw/zinc/27/97/69/254279769.db2.gz TXUNPZZTZDDIAJ-SNVBAGLBSA-N 1 1 312.322 0.959 20 5 DCBDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000350898164 254329062 /nfs/dbraw/zinc/32/90/62/254329062.db2.gz JJDFVJZDIAILJX-JTQLQIEISA-N 1 1 323.353 0.413 20 5 DCBDMO COC(=O)CNC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285263763 131152944 /nfs/dbraw/zinc/15/29/44/131152944.db2.gz IBDIQYFITFWCNO-UHFFFAOYSA-N 1 1 309.322 0.358 20 5 DCBDMO COC(=O)CNC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285263763 131152946 /nfs/dbraw/zinc/15/29/46/131152946.db2.gz IBDIQYFITFWCNO-UHFFFAOYSA-N 1 1 309.322 0.358 20 5 DCBDMO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285391120 131163321 /nfs/dbraw/zinc/16/33/21/131163321.db2.gz SLXDMBGZIGGDBZ-JTQLQIEISA-N 1 1 308.338 0.913 20 5 DCBDMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285391120 131163323 /nfs/dbraw/zinc/16/33/23/131163323.db2.gz SLXDMBGZIGGDBZ-JTQLQIEISA-N 1 1 308.338 0.913 20 5 DCBDMO COc1cc(C[N@H+](CCO)CCCO)c([N+](=O)[O-])cc1OC ZINC000271154512 395842775 /nfs/dbraw/zinc/84/27/75/395842775.db2.gz CIUPMBNIYGWIIV-UHFFFAOYSA-N 1 1 314.338 0.789 20 5 DCBDMO COc1cc(C[N@@H+](CCO)CCCO)c([N+](=O)[O-])cc1OC ZINC000271154512 395842778 /nfs/dbraw/zinc/84/27/78/395842778.db2.gz CIUPMBNIYGWIIV-UHFFFAOYSA-N 1 1 314.338 0.789 20 5 DCBDMO CCCNC(=O)C[NH+]1CCC(Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC000273143519 395903490 /nfs/dbraw/zinc/90/34/90/395903490.db2.gz FOWSYRGHUSTOKB-UHFFFAOYSA-N 1 1 322.369 0.787 20 5 DCBDMO C[NH+]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000119600900 395873140 /nfs/dbraw/zinc/87/31/40/395873140.db2.gz WCGAOYJGZATWQP-UHFFFAOYSA-N 1 1 304.350 0.731 20 5 DCBDMO CC(C)[N@H+](CC(N)=O)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000053420777 395883586 /nfs/dbraw/zinc/88/35/86/395883586.db2.gz KOYWHQHOHIXXKU-GFCCVEGCSA-N 1 1 311.338 0.530 20 5 DCBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000150966297 395976546 /nfs/dbraw/zinc/97/65/46/395976546.db2.gz RFLUASAMBZBOMQ-LBPRGKRZSA-N 1 1 324.385 0.965 20 5 DCBDMO CCC[N@@H+](CC)CCNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000151319332 395983832 /nfs/dbraw/zinc/98/38/32/395983832.db2.gz QJVMFWACZBEMGW-UHFFFAOYSA-N 1 1 312.374 0.822 20 5 DCBDMO C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000157437219 396063441 /nfs/dbraw/zinc/06/34/41/396063441.db2.gz CNLQXQNBSCSHNE-BXUZGUMPSA-N 1 1 307.350 0.973 20 5 DCBDMO C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000157437219 396063444 /nfs/dbraw/zinc/06/34/44/396063444.db2.gz CNLQXQNBSCSHNE-BXUZGUMPSA-N 1 1 307.350 0.973 20 5 DCBDMO O=C(CO)N1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000152319660 396006311 /nfs/dbraw/zinc/00/63/11/396006311.db2.gz SLVTUAIVJQBAHW-UHFFFAOYSA-N 1 1 323.349 0.500 20 5 DCBDMO COC(=O)c1cnc(N2CC[NH+](CCCO)CC2)c([N+](=O)[O-])c1 ZINC000276637488 396016787 /nfs/dbraw/zinc/01/67/87/396016787.db2.gz XBLGGTBECYNAAI-UHFFFAOYSA-N 1 1 324.337 0.281 20 5 DCBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000251704041 396017169 /nfs/dbraw/zinc/01/71/69/396017169.db2.gz JMLUKQLHRCRCGL-MNOVXSKESA-N 1 1 322.365 0.825 20 5 DCBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000251704041 396017170 /nfs/dbraw/zinc/01/71/70/396017170.db2.gz JMLUKQLHRCRCGL-MNOVXSKESA-N 1 1 322.365 0.825 20 5 DCBDMO C[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000171269278 396112869 /nfs/dbraw/zinc/11/28/69/396112869.db2.gz IIKILJVNPSDLMR-ZDUSSCGKSA-N 1 1 320.393 0.889 20 5 DCBDMO C[NH2+][C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000262314700 396122315 /nfs/dbraw/zinc/12/23/15/396122315.db2.gz CCBISJVOECZPKR-CQSZACIVSA-N 1 1 317.349 0.948 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](CCO)Cc2ccccc2)c1 ZINC000075713275 396185409 /nfs/dbraw/zinc/18/54/09/396185409.db2.gz DKSLJUAAQSFBLI-OAHLLOKOSA-N 1 1 320.349 0.647 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](N3CCCCC3)C2)c1 ZINC000075719016 396186231 /nfs/dbraw/zinc/18/62/31/396186231.db2.gz UBAYVVXUGWXOSS-DZGCQCFKSA-N 1 1 323.397 0.712 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](N3CCCCC3)C2)c1 ZINC000075719016 396186234 /nfs/dbraw/zinc/18/62/34/396186234.db2.gz UBAYVVXUGWXOSS-DZGCQCFKSA-N 1 1 323.397 0.712 20 5 DCBDMO CC(C)(O)C[NH+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183619349 396272580 /nfs/dbraw/zinc/27/25/80/396272580.db2.gz XMUVJDQKFFCMEP-UHFFFAOYSA-N 1 1 323.353 0.910 20 5 DCBDMO C[NH+]1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000263772791 396230096 /nfs/dbraw/zinc/23/00/96/396230096.db2.gz MLLHROZJCXWKAK-UHFFFAOYSA-N 1 1 322.321 0.509 20 5 DCBDMO C[C@H](NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000180404746 396232579 /nfs/dbraw/zinc/23/25/79/396232579.db2.gz HQGGDGOQOSUWGY-QWRGUYRKSA-N 1 1 322.365 0.838 20 5 DCBDMO Cc1[nH+]ccn1CCCNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000269095181 396385083 /nfs/dbraw/zinc/38/50/83/396385083.db2.gz QKYCCJMRDKICTI-UHFFFAOYSA-N 1 1 321.341 0.686 20 5 DCBDMO CC(C)[N@H+]1CCCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000269096820 396385982 /nfs/dbraw/zinc/38/59/82/396385982.db2.gz JREBHIIHTRWXOO-UHFFFAOYSA-N 1 1 324.385 0.917 20 5 DCBDMO O=C1NC(=O)[C@]2(CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000192651931 396433924 /nfs/dbraw/zinc/43/39/24/396433924.db2.gz KXMDYAGOJHMPCJ-CQSZACIVSA-N 1 1 304.306 0.769 20 5 DCBDMO CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000562008400 396650700 /nfs/dbraw/zinc/65/07/00/396650700.db2.gz KKHHYBTZFOVITF-JTQLQIEISA-N 1 1 316.383 0.997 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000595637910 396641862 /nfs/dbraw/zinc/64/18/62/396641862.db2.gz ZVEDDHSHEBQLLV-MBNYWOFBSA-N 1 1 307.350 0.849 20 5 DCBDMO CN1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCC1=O ZINC000595774155 396661046 /nfs/dbraw/zinc/66/10/46/396661046.db2.gz TXRBVLBIHBTKLM-LBPRGKRZSA-N 1 1 323.349 0.499 20 5 DCBDMO CN1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCC1=O ZINC000595774155 396661047 /nfs/dbraw/zinc/66/10/47/396661047.db2.gz TXRBVLBIHBTKLM-LBPRGKRZSA-N 1 1 323.349 0.499 20 5 DCBDMO CC(C)[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000562398395 396661664 /nfs/dbraw/zinc/66/16/64/396661664.db2.gz JJVVEPLGNHNPHS-GFCCVEGCSA-N 1 1 324.385 0.320 20 5 DCBDMO C[C@H](c1cnn(C)c1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305858563 396755096 /nfs/dbraw/zinc/75/50/96/396755096.db2.gz WUFKOHLZLSNBEM-MFKMUULPSA-N 1 1 308.342 0.579 20 5 DCBDMO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)CN(C)C ZINC000564793660 396869288 /nfs/dbraw/zinc/86/92/88/396869288.db2.gz RORRBBJOVPKCIJ-AAEUAGOBSA-N 1 1 313.402 0.718 20 5 DCBDMO Nc1c(C(=O)NCC[N@H+]2CC[C@@H](O)C2)cc(F)cc1[N+](=O)[O-] ZINC000600530613 396885926 /nfs/dbraw/zinc/88/59/26/396885926.db2.gz IVKNSNCJWHBFBQ-SECBINFHSA-N 1 1 312.301 0.113 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC[C@H]1CO ZINC000618318992 396959629 /nfs/dbraw/zinc/95/96/29/396959629.db2.gz URQHDBHZMWUUHH-CYBMUJFWSA-N 1 1 323.349 0.925 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOC[C@H]1CO ZINC000618318992 396959636 /nfs/dbraw/zinc/95/96/36/396959636.db2.gz URQHDBHZMWUUHH-CYBMUJFWSA-N 1 1 323.349 0.925 20 5 DCBDMO NS(=O)(=O)[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000376783150 396977271 /nfs/dbraw/zinc/97/72/71/396977271.db2.gz RCEVYLYDEPNOFM-CYBMUJFWSA-N 1 1 313.379 0.890 20 5 DCBDMO NS(=O)(=O)[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000376783150 396977273 /nfs/dbraw/zinc/97/72/73/396977273.db2.gz RCEVYLYDEPNOFM-CYBMUJFWSA-N 1 1 313.379 0.890 20 5 DCBDMO COC(=O)[C@H]1C[C@H](O)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000592198312 397123368 /nfs/dbraw/zinc/12/33/68/397123368.db2.gz NMSOAYAYHGYWLJ-JSGCOSHPSA-N 1 1 308.334 0.993 20 5 DCBDMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000592206546 397129148 /nfs/dbraw/zinc/12/91/48/397129148.db2.gz ZOWIGGAUTXVFEJ-WCQYABFASA-N 1 1 324.333 0.829 20 5 DCBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC([NH+](C)C)C1 ZINC000619495150 397138944 /nfs/dbraw/zinc/13/89/44/397138944.db2.gz VOZRYHDFNRUBJH-UHFFFAOYSA-N 1 1 315.351 0.538 20 5 DCBDMO [NH3+]CC(F)(F)CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000592326637 397154210 /nfs/dbraw/zinc/15/42/10/397154210.db2.gz QDZHJHFMWDECQI-UHFFFAOYSA-N 1 1 317.248 0.690 20 5 DCBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000601975471 397279008 /nfs/dbraw/zinc/27/90/08/397279008.db2.gz VNZPEJWMRHRNDA-MBNYWOFBSA-N 1 1 308.334 0.913 20 5 DCBDMO C[N@H+](CCN1CCCCC1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593112551 397330585 /nfs/dbraw/zinc/33/05/85/397330585.db2.gz OPSSSWIROCAFTA-CQSZACIVSA-N 1 1 311.386 0.570 20 5 DCBDMO C[N@@H+](CCN1CCCCC1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593112551 397330590 /nfs/dbraw/zinc/33/05/90/397330590.db2.gz OPSSSWIROCAFTA-CQSZACIVSA-N 1 1 311.386 0.570 20 5 DCBDMO Cc1noc(CN(C)CC(=O)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000602989522 397543538 /nfs/dbraw/zinc/54/35/38/397543538.db2.gz RNQPOARWOWKJKC-UHFFFAOYSA-N 1 1 311.342 0.097 20 5 DCBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599937658 397545919 /nfs/dbraw/zinc/54/59/19/397545919.db2.gz HUKAUPDYFIYOPC-YPMHNXCESA-N 1 1 321.333 0.582 20 5 DCBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000599937658 397545922 /nfs/dbraw/zinc/54/59/22/397545922.db2.gz HUKAUPDYFIYOPC-YPMHNXCESA-N 1 1 321.333 0.582 20 5 DCBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)CN1CC[NH+](C)CC1 ZINC000604266150 397635421 /nfs/dbraw/zinc/63/54/21/397635421.db2.gz JTJVCRBVKXLOGM-LBPRGKRZSA-N 1 1 323.397 0.547 20 5 DCBDMO CC(C)(C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000608839564 397757479 /nfs/dbraw/zinc/75/74/79/397757479.db2.gz JFVCVGMHQFAPOF-SNVBAGLBSA-N 1 1 307.354 0.879 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)CN1CC[NH+](C)CC1 ZINC000609547863 397781553 /nfs/dbraw/zinc/78/15/53/397781553.db2.gz MVAIYXFWPXIMKA-UHFFFAOYSA-N 1 1 322.365 0.467 20 5 DCBDMO NC(=O)c1ccc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000316982159 159003487 /nfs/dbraw/zinc/00/34/87/159003487.db2.gz DCBZOQVEZFNNTD-JKOKRWQUSA-N 1 1 305.334 0.896 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCOC[C@@H](C3CCC3)C2)c1 ZINC000367822131 159357872 /nfs/dbraw/zinc/35/78/72/159357872.db2.gz KFWWXKFFVWAOKA-DZGCQCFKSA-N 1 1 324.381 0.901 20 5 DCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000408054605 160024446 /nfs/dbraw/zinc/02/44/46/160024446.db2.gz SWKFCNUJDNSPNT-WDEREUQCSA-N 1 1 307.354 0.885 20 5 DCBDMO CNC(=O)N[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000342361511 415149953 /nfs/dbraw/zinc/14/99/53/415149953.db2.gz LOSCTSWSDGYSBJ-LLVKDONJSA-N 1 1 308.338 0.977 20 5 DCBDMO CNC(=O)N[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000342361511 415149960 /nfs/dbraw/zinc/14/99/60/415149960.db2.gz LOSCTSWSDGYSBJ-LLVKDONJSA-N 1 1 308.338 0.977 20 5 DCBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000268199136 415176283 /nfs/dbraw/zinc/17/62/83/415176283.db2.gz ODXDIJWHMHBZGG-GXFFZTMASA-N 1 1 307.354 0.780 20 5 DCBDMO CNS(=O)(=O)CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000276037339 415415235 /nfs/dbraw/zinc/41/52/35/415415235.db2.gz OYDNBTVTURXMRK-UHFFFAOYSA-N 1 1 307.759 0.887 20 5 DCBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000353516605 415574301 /nfs/dbraw/zinc/57/43/01/415574301.db2.gz SBIMHEULGDABNU-NSHDSACASA-N 1 1 324.381 0.851 20 5 DCBDMO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[NH+](CCO)CC1 ZINC000096622392 415581001 /nfs/dbraw/zinc/58/10/01/415581001.db2.gz TZUIOAXIJVEJSA-SNAWJCMRSA-N 1 1 305.334 0.745 20 5 DCBDMO COc1ccc(OCC[N@@H+](CCO)C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000289925770 415739974 /nfs/dbraw/zinc/73/99/74/415739974.db2.gz UOIATEBNFXLWEQ-NSHDSACASA-N 1 1 314.338 0.657 20 5 DCBDMO Nc1c(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cccc1[N+](=O)[O-] ZINC000295430718 415892159 /nfs/dbraw/zinc/89/21/59/415892159.db2.gz KRUOTINUFKYECX-LLVKDONJSA-N 1 1 322.365 0.754 20 5 DCBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@H](C)C1 ZINC000356899764 416002342 /nfs/dbraw/zinc/00/23/42/416002342.db2.gz DZTIUNKHARAZDR-GHMZBOCLSA-N 1 1 310.354 0.460 20 5 DCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@H](C)C1 ZINC000356899764 416002346 /nfs/dbraw/zinc/00/23/46/416002346.db2.gz DZTIUNKHARAZDR-GHMZBOCLSA-N 1 1 310.354 0.460 20 5 DCBDMO Cc1nn(C)c(N(C)CCC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000301302502 416080220 /nfs/dbraw/zinc/08/02/20/416080220.db2.gz WABUMONXCJCZMQ-UHFFFAOYSA-N 1 1 310.402 0.710 20 5 DCBDMO NS(=O)(=O)[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000357379441 416071452 /nfs/dbraw/zinc/07/14/52/416071452.db2.gz GRBPNFVJINGOLU-LBPRGKRZSA-N 1 1 315.351 0.336 20 5 DCBDMO NS(=O)(=O)[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000357379441 416071456 /nfs/dbraw/zinc/07/14/56/416071456.db2.gz GRBPNFVJINGOLU-LBPRGKRZSA-N 1 1 315.351 0.336 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000358057973 416180924 /nfs/dbraw/zinc/18/09/24/416180924.db2.gz PSERQXXGSZXVSV-AWEZNQCLSA-N 1 1 323.305 0.120 20 5 DCBDMO O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)N1 ZINC000192678588 416310031 /nfs/dbraw/zinc/31/00/31/416310031.db2.gz UFDUDFLNZMKATH-CQSZACIVSA-N 1 1 322.296 0.908 20 5 DCBDMO O=C1NC(=O)[C@]2(CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)N1 ZINC000192678588 416310035 /nfs/dbraw/zinc/31/00/35/416310035.db2.gz UFDUDFLNZMKATH-CQSZACIVSA-N 1 1 322.296 0.908 20 5 DCBDMO NC(=O)[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000192803871 416311297 /nfs/dbraw/zinc/31/12/97/416311297.db2.gz VCGWXGAIUDDDRR-GFCCVEGCSA-N 1 1 306.322 0.873 20 5 DCBDMO Cc1n[nH]c(C(=O)N2CC[NH2+]C[C@H]2c2nccn2C)c1[N+](=O)[O-] ZINC000261722335 416335501 /nfs/dbraw/zinc/33/55/01/416335501.db2.gz LRHMSKCXYZOPRF-VIFPVBQESA-N 1 1 319.325 0.147 20 5 DCBDMO Cc1[nH]nc(C(=O)N2CC[NH2+]C[C@H]2c2nccn2C)c1[N+](=O)[O-] ZINC000261722335 416335502 /nfs/dbraw/zinc/33/55/02/416335502.db2.gz LRHMSKCXYZOPRF-VIFPVBQESA-N 1 1 319.325 0.147 20 5 DCBDMO COCC[N@@H+](C)CCNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000263746200 416339040 /nfs/dbraw/zinc/33/90/40/416339040.db2.gz JISHTKCWSLRSQH-UHFFFAOYSA-N 1 1 311.338 0.911 20 5 DCBDMO C[N@H+]1CC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000416498070 416372756 /nfs/dbraw/zinc/37/27/56/416372756.db2.gz VZJPJHJWUFOMNP-SECBINFHSA-N 1 1 317.342 0.964 20 5 DCBDMO C[C@@H](CO)[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CCC1 ZINC000361500588 416441177 /nfs/dbraw/zinc/44/11/77/416441177.db2.gz GTDDBHCUXFTVKX-SMDDNHRTSA-N 1 1 312.370 0.635 20 5 DCBDMO CN(C(=O)C[N@H+]1CC[C@](C)(C(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000361565673 416452109 /nfs/dbraw/zinc/45/21/09/416452109.db2.gz NTWIHWLFQAIDEG-HNNXBMFYSA-N 1 1 320.349 0.755 20 5 DCBDMO Nc1nccc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000594286390 416558615 /nfs/dbraw/zinc/55/86/15/416558615.db2.gz YGRLIFAJYAAPGY-JTQLQIEISA-N 1 1 305.338 0.786 20 5 DCBDMO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000535005519 416510312 /nfs/dbraw/zinc/51/03/12/416510312.db2.gz YPIJICWJGVHZBD-AWEZNQCLSA-N 1 1 304.350 0.601 20 5 DCBDMO COC(=O)C1(C)C[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000424135948 416613855 /nfs/dbraw/zinc/61/38/55/416613855.db2.gz PURWUZDKAGNEOA-LLVKDONJSA-N 1 1 324.333 0.829 20 5 DCBDMO Nc1nccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000548738470 416690801 /nfs/dbraw/zinc/69/08/01/416690801.db2.gz SMKQUFZFPHKLIS-QWRGUYRKSA-N 1 1 305.338 0.929 20 5 DCBDMO Nc1nccc(C(=O)N2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000553127590 416702041 /nfs/dbraw/zinc/70/20/41/416702041.db2.gz JVTVKLBEAXOBLH-UHFFFAOYSA-N 1 1 305.338 0.882 20 5 DCBDMO C[C@@H]1CC(=O)NCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000369441469 416776814 /nfs/dbraw/zinc/77/68/14/416776814.db2.gz ULFKYDQIHLIRFZ-DGCLKSJQSA-N 1 1 323.349 0.545 20 5 DCBDMO O=C1NCCN1[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000370002111 416863566 /nfs/dbraw/zinc/86/35/66/416863566.db2.gz MSOMNQNTJQEWSX-NSHDSACASA-N 1 1 308.342 0.281 20 5 DCBDMO Cn1c(C(=O)NCCCCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000518021375 416838452 /nfs/dbraw/zinc/83/84/52/416838452.db2.gz QOSLJVOAMDXFDY-UHFFFAOYSA-N 1 1 323.397 0.691 20 5 DCBDMO CNc1nccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000565181890 416937973 /nfs/dbraw/zinc/93/79/73/416937973.db2.gz NXZWGRNNLOTLEV-RYUDHWBXSA-N 1 1 319.365 1.388 20 5 DCBDMO Cc1nc(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)ncc1[N+](=O)[O-] ZINC000450299501 417218353 /nfs/dbraw/zinc/21/83/53/417218353.db2.gz BBOPBIFJBABFBN-NSHDSACASA-N 1 1 322.369 0.693 20 5 DCBDMO C[C@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000531044056 417602962 /nfs/dbraw/zinc/60/29/62/417602962.db2.gz KUWCBCNINNDGCF-NSHDSACASA-N 1 1 320.349 0.991 20 5 DCBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000358044537 261619596 /nfs/dbraw/zinc/61/95/96/261619596.db2.gz NEYJWSDJDBUMBX-LLVKDONJSA-N 1 1 311.342 0.018 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCOCC23CCCC3)c1 ZINC000362419566 262032816 /nfs/dbraw/zinc/03/28/16/262032816.db2.gz TVHICQFMBHPWKK-ZDUSSCGKSA-N 1 1 310.354 0.797 20 5 DCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491797886 272105341 /nfs/dbraw/zinc/10/53/41/272105341.db2.gz QMRSDQNXKSCKPB-XHPSBEMXSA-N 1 1 318.377 0.970 20 5 DCBDMO CS[C@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000270795311 278166345 /nfs/dbraw/zinc/16/63/45/278166345.db2.gz VSXOTQLWWSXOHO-IUCAKERBSA-N 1 1 313.383 0.744 20 5 DCBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000547728272 288073228 /nfs/dbraw/zinc/07/32/28/288073228.db2.gz GESWABUAIHKJOQ-JTQLQIEISA-N 1 1 311.342 0.405 20 5 DCBDMO C[C@]([NH2+]CCn1cc([N+](=O)[O-])cn1)(C(N)=O)c1ccccc1 ZINC000174837596 280141437 /nfs/dbraw/zinc/14/14/37/280141437.db2.gz CGXYPAYVKUABLA-CQSZACIVSA-N 1 1 303.322 0.782 20 5 DCBDMO C[NH+](C)C1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000273605556 282054062 /nfs/dbraw/zinc/05/40/62/282054062.db2.gz SGBUVZMDOAWJNS-UHFFFAOYSA-N 1 1 303.315 0.668 20 5 DCBDMO C[N@@H+](CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])C1CC1 ZINC000821602613 606701536 /nfs/dbraw/zinc/70/15/36/606701536.db2.gz KQXLMNXPIVRVKF-UHFFFAOYSA-N 1 1 304.314 0.676 20 5 DCBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cc(C3CC3)no2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063873 658817718 /nfs/dbraw/zinc/81/77/18/658817718.db2.gz NJLMMMZBZSELFT-IQOUGMIPSA-N 1 1 320.349 0.954 20 5 DCBDMO C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCN1C ZINC000896556073 662290304 /nfs/dbraw/zinc/29/03/04/662290304.db2.gz NZGFRICXEJZCJZ-QMTHXVAHSA-N 1 1 322.365 0.665 20 5 DCBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)C(N)=O)CC1 ZINC000985613286 662492399 /nfs/dbraw/zinc/49/23/99/662492399.db2.gz MGLUSYLAMODXRY-UHFFFAOYSA-N 1 1 320.349 0.503 20 5 DCBDMO Cc1c(CC(=O)N2CC[N@@H+](C)C[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000912740927 664216020 /nfs/dbraw/zinc/21/60/20/664216020.db2.gz GYBXUEMGPRIUTC-CYBMUJFWSA-N 1 1 307.350 0.581 20 5 DCBDMO Cc1c(CC(=O)N2CC[N@H+](C)C[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000912740927 664216021 /nfs/dbraw/zinc/21/60/21/664216021.db2.gz GYBXUEMGPRIUTC-CYBMUJFWSA-N 1 1 307.350 0.581 20 5 DCBDMO Cc1ncc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC000997773072 665336030 /nfs/dbraw/zinc/33/60/30/665336030.db2.gz RYFZJXAUSQPHJF-ZIAGYGMSSA-N 1 1 322.365 0.976 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000890078772 668093169 /nfs/dbraw/zinc/09/31/69/668093169.db2.gz KIXOJKOXJRJYEN-UHFFFAOYSA-N 1 1 309.370 0.948 20 5 DCBDMO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839620090 668125410 /nfs/dbraw/zinc/12/54/10/668125410.db2.gz GKTYMBDDZFUQPH-GHMZBOCLSA-N 1 1 315.370 0.384 20 5 DCBDMO CC(C)(CO)[NH+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000760205882 668262837 /nfs/dbraw/zinc/26/28/37/668262837.db2.gz ZOQBGSNXPFGREO-UHFFFAOYSA-N 1 1 322.365 0.706 20 5 DCBDMO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC000926140554 668376773 /nfs/dbraw/zinc/37/67/73/668376773.db2.gz CPZXFKYOGGUZPD-RWXDJMAFSA-N 1 1 311.382 0.248 20 5 DCBDMO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000926140554 668376780 /nfs/dbraw/zinc/37/67/80/668376780.db2.gz CPZXFKYOGGUZPD-RWXDJMAFSA-N 1 1 311.382 0.248 20 5 DCBDMO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000926140554 668376784 /nfs/dbraw/zinc/37/67/84/668376784.db2.gz CPZXFKYOGGUZPD-RWXDJMAFSA-N 1 1 311.382 0.248 20 5 DCBDMO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000769496500 668650040 /nfs/dbraw/zinc/65/00/40/668650040.db2.gz KOXVFXAXYWTODG-BXUZGUMPSA-N 1 1 321.333 0.893 20 5 DCBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000769496500 668650044 /nfs/dbraw/zinc/65/00/44/668650044.db2.gz KOXVFXAXYWTODG-BXUZGUMPSA-N 1 1 321.333 0.893 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879531011 669054602 /nfs/dbraw/zinc/05/46/02/669054602.db2.gz PQTHKZBUVKJYIJ-TXEJJXNPSA-N 1 1 319.317 0.650 20 5 DCBDMO CC1(C)CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000781677200 669054832 /nfs/dbraw/zinc/05/48/32/669054832.db2.gz OGEMXMVCEHQGTR-UHFFFAOYSA-N 1 1 322.365 0.706 20 5 DCBDMO CC1(C)CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000781677200 669054836 /nfs/dbraw/zinc/05/48/36/669054836.db2.gz OGEMXMVCEHQGTR-UHFFFAOYSA-N 1 1 322.365 0.706 20 5 DCBDMO C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000783910199 669180126 /nfs/dbraw/zinc/18/01/26/669180126.db2.gz DBBYKPQLJOVILM-OLZOCXBDSA-N 1 1 309.366 0.970 20 5 DCBDMO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000783910199 669180130 /nfs/dbraw/zinc/18/01/30/669180130.db2.gz DBBYKPQLJOVILM-OLZOCXBDSA-N 1 1 309.366 0.970 20 5 DCBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000783910199 669180136 /nfs/dbraw/zinc/18/01/36/669180136.db2.gz DBBYKPQLJOVILM-OLZOCXBDSA-N 1 1 309.366 0.970 20 5 DCBDMO Cn1cc(C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)c([N+](=O)[O-])n1 ZINC000880579224 669242178 /nfs/dbraw/zinc/24/21/78/669242178.db2.gz PKSOCHXOUXSJQP-GFCCVEGCSA-N 1 1 310.354 0.692 20 5 DCBDMO Cn1cc(C[N@H+]2C[C@H](O)CC3(CCOCC3)C2)c([N+](=O)[O-])n1 ZINC000880579224 669242180 /nfs/dbraw/zinc/24/21/80/669242180.db2.gz PKSOCHXOUXSJQP-GFCCVEGCSA-N 1 1 310.354 0.692 20 5 DCBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)CC[C@H]21 ZINC000881438910 669343048 /nfs/dbraw/zinc/34/30/48/669343048.db2.gz IYYKZIBZZYEBLC-JOYOIKCWSA-N 1 1 306.322 0.862 20 5 DCBDMO NC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000840181127 670454022 /nfs/dbraw/zinc/45/40/22/670454022.db2.gz ZEFSIJCLQZODGI-HNNXBMFYSA-N 1 1 315.333 0.878 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C[C@@H]2C1 ZINC000812322991 670573463 /nfs/dbraw/zinc/57/34/63/670573463.db2.gz JILBXYVVBZBASQ-NEPJUHHUSA-N 1 1 320.349 0.167 20 5 DCBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CCC2(F)F)nc1 ZINC000850587955 670921062 /nfs/dbraw/zinc/92/10/62/670921062.db2.gz PDNQCUVEQORVFK-MRVPVSSYSA-N 1 1 322.293 0.265 20 5 DCBDMO C[N@@H+]1C[C@H]2CN(C(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000831280056 671662972 /nfs/dbraw/zinc/66/29/72/671662972.db2.gz BXMGODLSJHKRAH-MBNYWOFBSA-N 1 1 305.334 0.648 20 5 DCBDMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000841456968 671934346 /nfs/dbraw/zinc/93/43/46/671934346.db2.gz NGSRYADRHQPYQO-WDEREUQCSA-N 1 1 322.365 0.704 20 5 DCBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000841456968 671934348 /nfs/dbraw/zinc/93/43/48/671934348.db2.gz NGSRYADRHQPYQO-WDEREUQCSA-N 1 1 322.365 0.704 20 5 DCBDMO Cc1cnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC001020139625 693710641 /nfs/dbraw/zinc/71/06/41/693710641.db2.gz IMDAVWBTRQZRAA-FPQZTECRSA-N 1 1 305.338 0.187 20 5 DCBDMO CN(CC[NH2+]CCOCC(F)(F)F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001731911865 1157805160 /nfs/dbraw/zinc/80/51/60/1157805160.db2.gz PTRNXGYCHFEKHX-RKDXNWHRSA-N 1 1 313.276 0.279 20 5 DCBDMO O=C(NCC[NH+]1CCC1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001566643363 1160108734 /nfs/dbraw/zinc/10/87/34/1160108734.db2.gz BOMCQUTXQXELIB-UHFFFAOYSA-N 1 1 316.321 0.611 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C/C=C/CNC(=O)C1CCC1 ZINC001568805137 1160779099 /nfs/dbraw/zinc/77/90/99/1160779099.db2.gz LUTYZDVIEMASAI-NSCUHMNNSA-N 1 1 307.354 0.890 20 5 DCBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CC2(C[NH2+]C2)C(=O)O1 ZINC001578480196 1165032339 /nfs/dbraw/zinc/03/23/39/1165032339.db2.gz AFKDVNXPSXVNRM-ZDUSSCGKSA-N 1 1 319.361 0.974 20 5 DCBDMO CC[N@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1 ZINC001590731473 1166988301 /nfs/dbraw/zinc/98/83/01/1166988301.db2.gz UEJCKWYOVAKIAQ-QMMMGPOBSA-N 1 1 318.341 0.863 20 5 DCBDMO CC(C)(CO)[NH+]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001598141227 1168017988 /nfs/dbraw/zinc/01/79/88/1168017988.db2.gz OQICCPXAIJFESP-UHFFFAOYSA-N 1 1 323.353 0.101 20 5 DCBDMO CCC[N@@H+](CCO)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001604211887 1169526479 /nfs/dbraw/zinc/52/64/79/1169526479.db2.gz SWNGOTAKVUWSQY-UHFFFAOYSA-N 1 1 306.326 0.979 20 5 DCBDMO C[C@H]1CN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC001627866478 1171514599 /nfs/dbraw/zinc/51/45/99/1171514599.db2.gz HFQMDSPWWDWCQO-NSHDSACASA-N 1 1 321.333 0.949 20 5 DCBDMO C[C@H]1CN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC[N@H+]1C ZINC001627866478 1171514606 /nfs/dbraw/zinc/51/46/06/1171514606.db2.gz HFQMDSPWWDWCQO-NSHDSACASA-N 1 1 321.333 0.949 20 5 DCBDMO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001635983110 1171719789 /nfs/dbraw/zinc/71/97/89/1171719789.db2.gz XMLMAKALZLTYFP-NWDGAFQWSA-N 1 1 320.349 0.458 20 5 DCBDMO Cc1[nH+]c2c(n1CCO)CC[C@H](Nc1c([N+](=O)[O-])ncn1C)C2 ZINC001640110498 1171864689 /nfs/dbraw/zinc/86/46/89/1171864689.db2.gz VLBWZWVWOFGQAF-JTQLQIEISA-N 1 1 320.353 0.795 20 5 DCBDMO COC(=O)C12CCC(CC1)[N@@H+]2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001644144687 1171997268 /nfs/dbraw/zinc/99/72/68/1171997268.db2.gz XPTCZFUXIMUYSM-KHJSKFAYSA-N 1 1 324.337 0.322 20 5 DCBDMO COC(=O)C12CCC(CC1)[N@H+]2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001644144687 1171997272 /nfs/dbraw/zinc/99/72/72/1171997272.db2.gz XPTCZFUXIMUYSM-KHJSKFAYSA-N 1 1 324.337 0.322 20 5 DCBDMO Cc1nc([C@@H]2CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)no1 ZINC001644489905 1172009648 /nfs/dbraw/zinc/00/96/48/1172009648.db2.gz WURZUAQHJFNGQM-LLVKDONJSA-N 1 1 319.321 0.937 20 5 DCBDMO Cc1nc([C@@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)no1 ZINC001644489905 1172009652 /nfs/dbraw/zinc/00/96/52/1172009652.db2.gz WURZUAQHJFNGQM-LLVKDONJSA-N 1 1 319.321 0.937 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1c[nH+]c2n1CCC2 ZINC001644622583 1172011513 /nfs/dbraw/zinc/01/15/13/1172011513.db2.gz KSYXSKMKNQQKDL-UHFFFAOYSA-N 1 1 318.337 0.949 20 5 DCBDMO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1[nH]ncc1[N+](=O)[O-] ZINC001644757543 1172021009 /nfs/dbraw/zinc/02/10/09/1172021009.db2.gz JMGIYDMRMBLIHN-PSASIEDQSA-N 1 1 311.367 0.628 20 5 DCBDMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)c1[nH]ncc1[N+](=O)[O-] ZINC001644757543 1172021018 /nfs/dbraw/zinc/02/10/18/1172021018.db2.gz JMGIYDMRMBLIHN-PSASIEDQSA-N 1 1 311.367 0.628 20 5 DCBDMO O=[N+]([O-])c1ncccc1C[NH+]1CCC(Cc2nn[nH]n2)CC1 ZINC001648212408 1173070183 /nfs/dbraw/zinc/07/01/83/1173070183.db2.gz OFGNVJBGCYTSTJ-UHFFFAOYSA-N 1 1 303.326 0.958 20 5 DCBDMO CCCNC(=O)C[NH+]1CCC(Nc2c([N+](=O)[O-])cnn2C)CC1 ZINC001651371212 1173747077 /nfs/dbraw/zinc/74/70/77/1173747077.db2.gz LLIZGAZDBXYIII-UHFFFAOYSA-N 1 1 324.385 0.731 20 5 DCBDMO CN(C(=O)C[N@@H+]1C[C@@H](O)C[C@]1(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC001654290834 1173803267 /nfs/dbraw/zinc/80/32/67/1173803267.db2.gz DECAECRXWIKCGD-DZGCQCFKSA-N 1 1 323.349 0.375 20 5 DCBDMO CN(C(=O)C[N@H+]1C[C@@H](O)C[C@]1(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC001654290834 1173803271 /nfs/dbraw/zinc/80/32/71/1173803271.db2.gz DECAECRXWIKCGD-DZGCQCFKSA-N 1 1 323.349 0.375 20 5 DCBDMO CCOC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001654956917 1173813761 /nfs/dbraw/zinc/81/37/61/1173813761.db2.gz XUVJQOMPMAWMHH-ZYHUDNBSSA-N 1 1 312.326 0.037 20 5 DCBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@@H](c3nn[nH]n3)C2)cc1 ZINC001655439192 1173820773 /nfs/dbraw/zinc/82/07/73/1173820773.db2.gz JRRMSTAVPFSJMN-PWSUYJOCSA-N 1 1 304.310 0.631 20 5 DCBDMO CNC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC001659076303 1173929638 /nfs/dbraw/zinc/92/96/38/1173929638.db2.gz FYMTXZNJVYWPKD-LLVKDONJSA-N 1 1 306.322 0.262 20 5 DCBDMO COc1c(O)ccc(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)c1[N+](=O)[O-] ZINC001665289669 1174501951 /nfs/dbraw/zinc/50/19/51/1174501951.db2.gz IPPZKDLPRODJPA-QMTHXVAHSA-N 1 1 312.322 0.627 20 5 DCBDMO COc1c(O)ccc(C[N@H+]2C[C@H](O)C[C@]2(C)CO)c1[N+](=O)[O-] ZINC001665289669 1174501958 /nfs/dbraw/zinc/50/19/58/1174501958.db2.gz IPPZKDLPRODJPA-QMTHXVAHSA-N 1 1 312.322 0.627 20 5 DCBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1CC[C@H](O)C1 ZINC001677207790 1175547414 /nfs/dbraw/zinc/54/74/14/1175547414.db2.gz VQYYCNPONJWUMN-AWEZNQCLSA-N 1 1 322.365 0.503 20 5 DCBDMO CCn1nc(C)c(C[NH2+]CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001723020027 1184250583 /nfs/dbraw/zinc/25/05/83/1184250583.db2.gz MIKZGMNAQIZBAH-DGCLKSJQSA-N 1 1 324.385 0.210 20 5 DCBDMO O=C(N[C@H]1C[C@H]([NH2+]CCOc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001731444309 1185335698 /nfs/dbraw/zinc/33/56/98/1185335698.db2.gz LCKUOBZRGPLDIO-QHSBEEBCSA-N 1 1 319.361 0.967 20 5 DCBDMO COc1cccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001733098398 1186138000 /nfs/dbraw/zinc/13/80/00/1186138000.db2.gz ABCVVWPOHIAUSM-CHWSQXEVSA-N 1 1 322.365 0.694 20 5 DCBDMO CN(CCC[NH2+]Cc1ccc(CO)cc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001733100165 1186139438 /nfs/dbraw/zinc/13/94/38/1186139438.db2.gz YUPYGUQHIUZSNS-HUUCEWRRSA-N 1 1 321.377 0.782 20 5 DCBDMO Cc1oncc1C[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001733772922 1186441908 /nfs/dbraw/zinc/44/19/08/1186441908.db2.gz NGSKBVSYNHNMQW-CHWSQXEVSA-N 1 1 310.354 0.929 20 5 DCBDMO CN(C)c1cccc(C[N@@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001753049052 1188483875 /nfs/dbraw/zinc/48/38/75/1188483875.db2.gz PQXIWBXWWZAVJB-HUUCEWRRSA-N 1 1 320.393 0.966 20 5 DCBDMO CN(C)c1cccc(C[N@H+](C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001753049052 1188483877 /nfs/dbraw/zinc/48/38/77/1188483877.db2.gz PQXIWBXWWZAVJB-HUUCEWRRSA-N 1 1 320.393 0.966 20 5 DCBDMO CN(C)c1cccc(C[N@@H+](C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001753049052 1188483880 /nfs/dbraw/zinc/48/38/80/1188483880.db2.gz PQXIWBXWWZAVJB-HUUCEWRRSA-N 1 1 320.393 0.966 20 5 DCBDMO O=C(NCC[NH2+]CCCOCC(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC001126939412 750152343 /nfs/dbraw/zinc/15/23/43/750152343.db2.gz XHWNXFDSWXKQNW-RKDXNWHRSA-N 1 1 313.276 0.326 20 5 DCBDMO C[C@H]1[C@@H](O)CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001170324374 762610720 /nfs/dbraw/zinc/61/07/20/762610720.db2.gz ORZIYULWZVNGGK-HZMBPMFUSA-N 1 1 305.334 0.939 20 5 DCBDMO C[C@H]1[C@@H](O)CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001170324374 762610725 /nfs/dbraw/zinc/61/07/25/762610725.db2.gz ORZIYULWZVNGGK-HZMBPMFUSA-N 1 1 305.334 0.939 20 5 DCBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@H+](C)[C@H](CO)C1 ZINC000828724352 759083560 /nfs/dbraw/zinc/08/35/60/759083560.db2.gz GXWUHXWVESTSHG-RYUDHWBXSA-N 1 1 322.365 0.530 20 5 DCBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+](C)[C@H](CO)C1 ZINC000828724352 759083569 /nfs/dbraw/zinc/08/35/69/759083569.db2.gz GXWUHXWVESTSHG-RYUDHWBXSA-N 1 1 322.365 0.530 20 5 DCBDMO Cn1ccnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086082350 759691350 /nfs/dbraw/zinc/69/13/50/759691350.db2.gz KNNUWWFOCCUOKG-WRWGMCAJSA-N 1 1 307.354 0.070 20 5 DCBDMO CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169025861 760560698 /nfs/dbraw/zinc/56/06/98/760560698.db2.gz ZJJQUGLFTNSMKC-RGCMKSIDSA-N 1 1 311.382 0.659 20 5 DCBDMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001123493962 767986670 /nfs/dbraw/zinc/98/66/70/767986670.db2.gz CXYDIPOVQTYHPT-WFASDCNBSA-N 1 1 318.377 0.942 20 5 DCBDMO C[NH+](C)CCOc1cc(NC[C@H]2COCCN2)ccc1[N+](=O)[O-] ZINC001170043005 761670323 /nfs/dbraw/zinc/67/03/23/761670323.db2.gz DBJPEOXYEODYBX-ZDUSSCGKSA-N 1 1 324.381 0.936 20 5 DCBDMO C[N@H+]1CCCC[C@H](CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001118947047 766481073 /nfs/dbraw/zinc/48/10/73/766481073.db2.gz MWYSNYPEICVWEW-GFCCVEGCSA-N 1 1 322.365 0.605 20 5 DCBDMO Cc1nc(Cl)nc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)c1[N+](=O)[O-] ZINC001155568610 770545397 /nfs/dbraw/zinc/54/53/97/770545397.db2.gz ATTFAIXUQCHNGW-KGFZYKRKSA-N 1 1 312.717 0.337 20 5 DCBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)n1 ZINC001155569577 770546524 /nfs/dbraw/zinc/54/65/24/770546524.db2.gz HLXBXAKRZGGNPI-KSBSHMNSSA-N 1 1 312.717 0.337 20 5 DCBDMO Cc1[nH+]c2c(n1CCO)CC[C@@H](Nc1ncc([N+](=O)[O-])cn1)C2 ZINC001186897122 772102563 /nfs/dbraw/zinc/10/25/63/772102563.db2.gz XPBWYIWKRHGXTH-SNVBAGLBSA-N 1 1 318.337 0.851 20 5 DCBDMO O=C1C[NH2+]CCN1CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC001161025348 772152211 /nfs/dbraw/zinc/15/22/11/772152211.db2.gz SCSAWTMCPVDEDM-UHFFFAOYSA-N 1 1 316.321 0.382 20 5 DCBDMO C[N@H+]1C[C@@H]2CN(c3nccc(C(N)=O)c3[N+](=O)[O-])C[C@]2(C)C1 ZINC001164260301 772633252 /nfs/dbraw/zinc/63/32/52/772633252.db2.gz BTKPQUFJJCTOLO-OTYXRUKQSA-N 1 1 305.338 0.477 20 5 DCBDMO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc([N+](=O)[O-])cc3C(N)=O)[C@H]1CC(=O)C2 ZINC001226168811 775775851 /nfs/dbraw/zinc/77/58/51/775775851.db2.gz VDDWPQXVQCRVBK-MRCXROJRSA-N 1 1 319.317 0.877 20 5 DCBDMO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc([N+](=O)[O-])cc3C(N)=O)[C@H]1CC(=O)C2 ZINC001226168811 775775856 /nfs/dbraw/zinc/77/58/56/775775856.db2.gz VDDWPQXVQCRVBK-MRCXROJRSA-N 1 1 319.317 0.877 20 5 DCBDMO CC(=O)N(C)CC(=O)NCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001267186618 939376654 /nfs/dbraw/zinc/37/66/54/939376654.db2.gz GZBDPZOFULPJJR-UHFFFAOYSA-N 1 1 322.365 0.621 20 5 DCBDMO CC(=O)N(C)CC(=O)NCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001267186618 939376655 /nfs/dbraw/zinc/37/66/55/939376655.db2.gz GZBDPZOFULPJJR-UHFFFAOYSA-N 1 1 322.365 0.621 20 5 DCBDMO CC(C)[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccn(C)n1 ZINC001481350268 939756054 /nfs/dbraw/zinc/75/60/54/939756054.db2.gz IALTVZDNYDLYOO-ZIAGYGMSSA-N 1 1 323.397 0.802 20 5 DCBDMO O=C(NCC1([NH2+]CCc2ccns2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001269411482 940701525 /nfs/dbraw/zinc/70/15/25/940701525.db2.gz JBBAWDKGKXQBIQ-GHMZBOCLSA-N 1 1 310.379 0.589 20 5 DCBDMO CNC(=O)[C@H]1CC[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001462381543 1013065385 /nfs/dbraw/zinc/06/53/85/1013065385.db2.gz DKFKYZACALHDTE-JTQLQIEISA-N 1 1 309.322 0.877 20 5 DCBDMO COC(=O)[C@@H]1C[N@H+](C)CCN1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254605398 946414766 /nfs/dbraw/zinc/41/47/66/946414766.db2.gz BVYTUAHQOBKBEJ-CABCVRRESA-N 1 1 319.361 0.851 20 5 DCBDMO COC(=O)[C@@H]1C[N@@H+](C)CCN1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254605398 946414772 /nfs/dbraw/zinc/41/47/72/946414772.db2.gz BVYTUAHQOBKBEJ-CABCVRRESA-N 1 1 319.361 0.851 20 5 DCBDMO Cc1nnsc1C[NH2+]CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001322505666 946704414 /nfs/dbraw/zinc/70/44/14/946704414.db2.gz OYVOSMPQQKSEFW-NXEZZACHSA-N 1 1 313.383 0.450 20 5 DCBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC001325707207 947889798 /nfs/dbraw/zinc/88/97/98/947889798.db2.gz KOMWIXYWSIVTJR-LLVKDONJSA-N 1 1 324.385 0.084 20 5 DCBDMO Cn1nccc1C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001280480376 950896279 /nfs/dbraw/zinc/89/62/79/950896279.db2.gz LWEVXJSGJRNOQB-VXGBXAGGSA-N 1 1 307.354 0.214 20 5 DCBDMO Cc1nn(C)c(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC001331612657 951193535 /nfs/dbraw/zinc/19/35/35/951193535.db2.gz MGWHJIDMJZEOCH-MWLCHTKSSA-N 1 1 324.385 0.001 20 5 DCBDMO O=C(NCC=CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ncn[nH]1 ZINC001274448526 951639008 /nfs/dbraw/zinc/63/90/08/951639008.db2.gz RABRCSSYNDRKSF-UPHRSURJSA-N 1 1 316.321 0.789 20 5 DCBDMO O=C(NCC=CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nc[nH]n1 ZINC001274448526 951639013 /nfs/dbraw/zinc/63/90/13/951639013.db2.gz RABRCSSYNDRKSF-UPHRSURJSA-N 1 1 316.321 0.789 20 5 DCBDMO C[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCN1C ZINC001335397371 952531547 /nfs/dbraw/zinc/53/15/47/952531547.db2.gz GGDNJKPEGKCWTA-APHBMKBZSA-N 1 1 322.409 0.852 20 5 DCBDMO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC[NH+](CCCF)CC1 ZINC001338763428 953049699 /nfs/dbraw/zinc/04/96/99/953049699.db2.gz YQPODCILICFXIL-UHFFFAOYSA-N 1 1 312.301 0.813 20 5 DCBDMO COC(=O)c1cc(C(=O)NCC[NH+]2CC=CC2)cc([N+](=O)[O-])c1 ZINC001339493798 953098449 /nfs/dbraw/zinc/09/84/49/953098449.db2.gz WNRCAWWAWDPTOW-UHFFFAOYSA-N 1 1 319.317 0.983 20 5 DCBDMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001347386531 954082770 /nfs/dbraw/zinc/08/27/70/954082770.db2.gz YQRPSXRCRRARKF-IUODEOHRSA-N 1 1 318.377 0.642 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C2C[NH+](C)C2)CC1 ZINC001347772324 954164868 /nfs/dbraw/zinc/16/48/68/954164868.db2.gz IOHCFFYWTFLXRR-UHFFFAOYSA-N 1 1 318.377 0.975 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)[C@H]2C1 ZINC001348747935 954454009 /nfs/dbraw/zinc/45/40/09/954454009.db2.gz PSOMZRMQRJEXSK-SDDRHHMPSA-N 1 1 320.349 0.213 20 5 DCBDMO CCOCC[NH+]1CCN(c2nnc(C[N+](=O)[O-])n2CC)CC1 ZINC001352440615 955626737 /nfs/dbraw/zinc/62/67/37/955626737.db2.gz QTKUALZAOSRZKY-UHFFFAOYSA-N 1 1 312.374 0.233 20 5 DCBDMO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nnnn1C ZINC001353230574 955985583 /nfs/dbraw/zinc/98/55/83/955985583.db2.gz DAMHNZYXSDIIFY-NXEZZACHSA-N 1 1 322.325 0.209 20 5 DCBDMO COC[C@](C)(CO)[NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001307998715 960164797 /nfs/dbraw/zinc/16/47/97/960164797.db2.gz UYDWRYPJWMZPON-AWEZNQCLSA-N 1 1 312.322 0.868 20 5 DCBDMO NC(=O)c1ccc(C[N@H+]2C[C@@H](CO)[C@H](CCO)C2)c([N+](=O)[O-])c1 ZINC001308161278 960167649 /nfs/dbraw/zinc/16/76/49/960167649.db2.gz BIYCPZXRULPHFR-YPMHNXCESA-N 1 1 323.349 0.116 20 5 DCBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C2)C1 ZINC001472573005 1016829572 /nfs/dbraw/zinc/82/95/72/1016829572.db2.gz ZKFRSGZBCXDNAZ-AWEZNQCLSA-N 1 1 306.322 0.863 20 5 DCBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2C[C@@H](CO)[C@H](CCO)C2)cc1 ZINC001560230873 1012443855 /nfs/dbraw/zinc/44/38/55/1012443855.db2.gz ISJAAYASRHKUJM-OLZOCXBDSA-N 1 1 310.350 0.896 20 5 DCBDMO O=C(NCCc1ccccc1[N+](=O)[O-])NCC[N@@H+]1CC[C@@H](O)C1 ZINC001564684011 1012526758 /nfs/dbraw/zinc/52/67/58/1012526758.db2.gz XZIFBIGKAWHRIE-CYBMUJFWSA-N 1 1 322.365 0.503 20 5 DCBDMO Nc1ncc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC001544953602 1012551499 /nfs/dbraw/zinc/55/14/99/1012551499.db2.gz WVGFTHYAVRDOQY-VIFPVBQESA-N 1 1 305.338 0.786 20 5 DCBDMO NC(=O)C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC001460706378 1012957248 /nfs/dbraw/zinc/95/72/48/1012957248.db2.gz FKJCZLINGPUTMK-AWEZNQCLSA-N 1 1 323.349 0.595 20 5 DCBDMO C[N@H+](CCC(N)=O)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000286593055 219070398 /nfs/dbraw/zinc/07/03/98/219070398.db2.gz VZPXLQHYYDLXFZ-UHFFFAOYSA-N 1 1 305.294 0.952 20 5 DCBDMO C[N@@H+](CCC(N)=O)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000286593055 219070399 /nfs/dbraw/zinc/07/03/99/219070399.db2.gz VZPXLQHYYDLXFZ-UHFFFAOYSA-N 1 1 305.294 0.952 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC2(C1)OCCO2 ZINC000090563589 185303810 /nfs/dbraw/zinc/30/38/10/185303810.db2.gz BZNNQWHJNYSWFR-UHFFFAOYSA-N 1 1 309.322 0.595 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC2(C1)OCCO2 ZINC000090563589 185303811 /nfs/dbraw/zinc/30/38/11/185303811.db2.gz BZNNQWHJNYSWFR-UHFFFAOYSA-N 1 1 309.322 0.595 20 5 DCBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173813098 198255754 /nfs/dbraw/zinc/25/57/54/198255754.db2.gz KAUFWLWTFFPLEJ-GFCCVEGCSA-N 1 1 309.370 0.982 20 5 DCBDMO C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C(N)=O)C1 ZINC000187407692 237344852 /nfs/dbraw/zinc/34/48/52/237344852.db2.gz KTOIXBTUWIMWIP-JQWIXIFHSA-N 1 1 308.338 0.342 20 5 DCBDMO C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C(N)=O)C1 ZINC000187407692 237344859 /nfs/dbraw/zinc/34/48/59/237344859.db2.gz KTOIXBTUWIMWIP-JQWIXIFHSA-N 1 1 308.338 0.342 20 5 DCBDMO CC(=O)NC[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159779671 291236581 /nfs/dbraw/zinc/23/65/81/291236581.db2.gz AJMNZEWNAXKGDK-ZDUSSCGKSA-N 1 1 322.365 0.605 20 5 DCBDMO C[N@@H+](CC(=O)NCCn1cc([N+](=O)[O-])cn1)[C@H]1CCSC1 ZINC000159755708 291236420 /nfs/dbraw/zinc/23/64/20/291236420.db2.gz MKHXSGARVXDSHU-JTQLQIEISA-N 1 1 313.383 0.345 20 5 DCBDMO C[NH2+][C@H](C(=O)NCc1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000567782883 291377291 /nfs/dbraw/zinc/37/72/91/291377291.db2.gz FHLJAIPTLYGZTE-ZDUSSCGKSA-N 1 1 303.322 0.905 20 5 DCBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000264714787 204095169 /nfs/dbraw/zinc/09/51/69/204095169.db2.gz GGRSHFIABVLOCB-LLVKDONJSA-N 1 1 322.365 0.579 20 5 DCBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000264714787 204095174 /nfs/dbraw/zinc/09/51/74/204095174.db2.gz GGRSHFIABVLOCB-LLVKDONJSA-N 1 1 322.365 0.579 20 5 DCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000264789315 204155804 /nfs/dbraw/zinc/15/58/04/204155804.db2.gz UCXXSCOUYUYVFZ-PXTSUWAFSA-N 1 1 318.377 0.970 20 5 DCBDMO COc1ccc(OCC[N@H+](C)[C@@H]2CCNC2=O)c([N+](=O)[O-])c1 ZINC000340222022 253219539 /nfs/dbraw/zinc/21/95/39/253219539.db2.gz NQMJBEBQTSPROV-LLVKDONJSA-N 1 1 309.322 0.803 20 5 DCBDMO COc1ccc(OCC[N@@H+](C)[C@@H]2CCNC2=O)c([N+](=O)[O-])c1 ZINC000340222022 253219541 /nfs/dbraw/zinc/21/95/41/253219541.db2.gz NQMJBEBQTSPROV-LLVKDONJSA-N 1 1 309.322 0.803 20 5 DCBDMO C[N@@H+](CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000351497448 254339758 /nfs/dbraw/zinc/33/97/58/254339758.db2.gz WJKMFPHYZPHPPZ-UHFFFAOYSA-N 1 1 324.312 0.883 20 5 DCBDMO C[C@@H](O)C[N@H+](CCO)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000289738478 221191429 /nfs/dbraw/zinc/19/14/29/221191429.db2.gz JKMBRSRTKAVKDG-SNVBAGLBSA-N 1 1 312.322 0.636 20 5 DCBDMO C[C@@H](O)C[N@@H+](CCO)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000289738478 221191432 /nfs/dbraw/zinc/19/14/32/221191432.db2.gz JKMBRSRTKAVKDG-SNVBAGLBSA-N 1 1 312.322 0.636 20 5 DCBDMO C[C@@H]1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1C ZINC000330903328 533605667 /nfs/dbraw/zinc/60/56/67/533605667.db2.gz LPDAHGZWZLJISH-MNOVXSKESA-N 1 1 308.338 0.355 20 5 DCBDMO C[C@H](CO)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000284377783 131075051 /nfs/dbraw/zinc/07/50/51/131075051.db2.gz FIWSGCMDFQVNLK-MRVPVSSYSA-N 1 1 311.294 0.575 20 5 DCBDMO C[C@H](CO)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000284377783 131075052 /nfs/dbraw/zinc/07/50/52/131075052.db2.gz FIWSGCMDFQVNLK-MRVPVSSYSA-N 1 1 311.294 0.575 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292245041 131635725 /nfs/dbraw/zinc/63/57/25/131635725.db2.gz OMECNYPGPCEFGT-CQSZACIVSA-N 1 1 307.354 0.654 20 5 DCBDMO COCC[NH+](CCOC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027365878 395695018 /nfs/dbraw/zinc/69/50/18/395695018.db2.gz PNTNYOVTBKYPTE-UHFFFAOYSA-N 1 1 311.338 0.789 20 5 DCBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000108890284 395794590 /nfs/dbraw/zinc/79/45/90/395794590.db2.gz VJBQRHRMBSIGRD-VIFPVBQESA-N 1 1 306.322 0.910 20 5 DCBDMO C[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)[N@H+]1CCCC[C@H]1C ZINC000058231461 395951511 /nfs/dbraw/zinc/95/15/11/395951511.db2.gz JJQMFCIGMRRLEM-MNOVXSKESA-N 1 1 310.358 0.565 20 5 DCBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000246578288 395953444 /nfs/dbraw/zinc/95/34/44/395953444.db2.gz CGIIPCOTCIJTRW-NWDGAFQWSA-N 1 1 307.354 0.734 20 5 DCBDMO [NH3+]C[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000274780649 395976125 /nfs/dbraw/zinc/97/61/25/395976125.db2.gz LIVKLBFVVHXUIW-VIFPVBQESA-N 1 1 305.294 0.271 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](N3CCCC3)C2)c1 ZINC000247523485 395976214 /nfs/dbraw/zinc/97/62/14/395976214.db2.gz NQMXFXIBJLVZKU-TZMCWYRMSA-N 1 1 309.370 0.322 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](N3CCCC3)C2)c1 ZINC000247523485 395976217 /nfs/dbraw/zinc/97/62/17/395976217.db2.gz NQMXFXIBJLVZKU-TZMCWYRMSA-N 1 1 309.370 0.322 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000248335019 395984155 /nfs/dbraw/zinc/98/41/55/395984155.db2.gz GJXIXYZNWXHJFI-GXTWGEPZSA-N 1 1 309.370 0.322 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCN3CCCC[C@H]3C2)c1 ZINC000248335019 395984156 /nfs/dbraw/zinc/98/41/56/395984156.db2.gz GJXIXYZNWXHJFI-GXTWGEPZSA-N 1 1 309.370 0.322 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCN3CCCC[C@H]3C2)c1 ZINC000248335019 395984159 /nfs/dbraw/zinc/98/41/59/395984159.db2.gz GJXIXYZNWXHJFI-GXTWGEPZSA-N 1 1 309.370 0.322 20 5 DCBDMO CNC(=O)CCC[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000154774236 396042164 /nfs/dbraw/zinc/04/21/64/396042164.db2.gz VFUMRKIVGXBJDU-UHFFFAOYSA-N 1 1 308.338 0.991 20 5 DCBDMO CNC(=O)CCC[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000154774236 396042171 /nfs/dbraw/zinc/04/21/71/396042171.db2.gz VFUMRKIVGXBJDU-UHFFFAOYSA-N 1 1 308.338 0.991 20 5 DCBDMO C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000157909422 396064136 /nfs/dbraw/zinc/06/41/36/396064136.db2.gz LDQVBLUKSLBFOW-RISCZKNCSA-N 1 1 323.349 0.809 20 5 DCBDMO C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000157909422 396064139 /nfs/dbraw/zinc/06/41/39/396064139.db2.gz LDQVBLUKSLBFOW-RISCZKNCSA-N 1 1 323.349 0.809 20 5 DCBDMO Nc1nc(N2CC[NH+](C[C@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC000076267208 396199821 /nfs/dbraw/zinc/19/98/21/396199821.db2.gz GLALFDWLVONGOE-SNVBAGLBSA-N 1 1 308.342 0.268 20 5 DCBDMO CC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000282342957 396282497 /nfs/dbraw/zinc/28/24/97/396282497.db2.gz MHXGWDBPKSPYBT-WCQYABFASA-N 1 1 323.349 0.545 20 5 DCBDMO COC(=O)[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000280708661 396215696 /nfs/dbraw/zinc/21/56/96/396215696.db2.gz JATRATXZLTVHSA-ZYHUDNBSSA-N 1 1 309.322 0.497 20 5 DCBDMO CN(CC[NH+](C)C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000080684584 396284464 /nfs/dbraw/zinc/28/44/64/396284464.db2.gz WAAZZDPZRJZURB-UHFFFAOYSA-N 1 1 301.368 0.996 20 5 DCBDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000264495260 396285607 /nfs/dbraw/zinc/28/56/07/396285607.db2.gz YWPVAHFCNGUZJL-ZDUSSCGKSA-N 1 1 320.393 0.889 20 5 DCBDMO O=[N+]([O-])c1ccc(C[NH+]2[C@@H](CO)CC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000287612654 396411650 /nfs/dbraw/zinc/41/16/50/396411650.db2.gz ZHQSZNVFKZVADF-VXGBXAGGSA-N 1 1 311.294 0.821 20 5 DCBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000372361603 396511146 /nfs/dbraw/zinc/51/11/46/396511146.db2.gz RJWNHDZUUYUWCJ-HNNXBMFYSA-N 1 1 318.377 0.643 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000371822989 396477927 /nfs/dbraw/zinc/47/79/27/396477927.db2.gz ALHBUBXYJDPREK-NSHDSACASA-N 1 1 305.342 0.832 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000371822989 396477928 /nfs/dbraw/zinc/47/79/28/396477928.db2.gz ALHBUBXYJDPREK-NSHDSACASA-N 1 1 305.342 0.832 20 5 DCBDMO O=[N+]([O-])c1cc(O)ccc1-n1cc(C[N@H+]2CCC[C@H]2CO)nn1 ZINC000594652396 396494465 /nfs/dbraw/zinc/49/44/65/396494465.db2.gz LSNNMPQNIGPKHF-NSHDSACASA-N 1 1 319.321 0.838 20 5 DCBDMO O=[N+]([O-])c1cc(O)ccc1-n1cc(C[N@@H+]2CCC[C@H]2CO)nn1 ZINC000594652396 396494468 /nfs/dbraw/zinc/49/44/68/396494468.db2.gz LSNNMPQNIGPKHF-NSHDSACASA-N 1 1 319.321 0.838 20 5 DCBDMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C2CC2)O1 ZINC000373430555 396590856 /nfs/dbraw/zinc/59/08/56/396590856.db2.gz HHTVNTPLAFSZFA-HONMWMINSA-N 1 1 310.354 0.652 20 5 DCBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588860066 396695798 /nfs/dbraw/zinc/69/57/98/396695798.db2.gz CIPDAIOHXNHRRZ-GHMZBOCLSA-N 1 1 320.349 0.458 20 5 DCBDMO NC(=O)c1cc(NCCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000596051272 396712132 /nfs/dbraw/zinc/71/21/32/396712132.db2.gz MXCMAGZTOFMGDZ-UHFFFAOYSA-N 1 1 308.338 0.828 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000304309254 396729906 /nfs/dbraw/zinc/72/99/06/396729906.db2.gz JWAZYNPMLQMEAR-HZSPNIEDSA-N 1 1 310.354 0.796 20 5 DCBDMO C[C@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CC[N@H+]1CC(C)(C)O ZINC000596222836 396736360 /nfs/dbraw/zinc/73/63/60/396736360.db2.gz NMUPFRHZVKYTEL-JTQLQIEISA-N 1 1 309.370 0.853 20 5 DCBDMO CC(C)c1n[nH]c(C(=O)NCC[N@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000600809224 396947458 /nfs/dbraw/zinc/94/74/58/396947458.db2.gz WSNVMSWQAQZVEU-VIFPVBQESA-N 1 1 311.342 0.238 20 5 DCBDMO O=C1CCCN1[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000574029331 397229328 /nfs/dbraw/zinc/22/93/28/397229328.db2.gz VFJOETPVZRCEIN-LBPRGKRZSA-N 1 1 307.354 0.878 20 5 DCBDMO Nc1nc(N)[nH+]c(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000599067088 397330093 /nfs/dbraw/zinc/33/00/93/397330093.db2.gz ZZJSRSBFHLOBJH-UHFFFAOYSA-N 1 1 301.310 0.774 20 5 DCBDMO Nc1c(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc(F)cc1[N+](=O)[O-] ZINC000593853139 397456323 /nfs/dbraw/zinc/45/63/23/397456323.db2.gz CMRFIZFKHXPFHT-SNVBAGLBSA-N 1 1 324.312 0.207 20 5 DCBDMO Nc1c(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc(F)cc1[N+](=O)[O-] ZINC000593853139 397456326 /nfs/dbraw/zinc/45/63/26/397456326.db2.gz CMRFIZFKHXPFHT-SNVBAGLBSA-N 1 1 324.312 0.207 20 5 DCBDMO O=C1C[C@H]([N@H+]2CCC[C@H]2CO)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000593921187 397481076 /nfs/dbraw/zinc/48/10/76/397481076.db2.gz RDNFQLKAXVVPSQ-STQMWFEESA-N 1 1 319.317 0.683 20 5 DCBDMO O=C1C[C@H]([N@@H+]2CCC[C@H]2CO)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000593921187 397481081 /nfs/dbraw/zinc/48/10/81/397481081.db2.gz RDNFQLKAXVVPSQ-STQMWFEESA-N 1 1 319.317 0.683 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000602784916 397485571 /nfs/dbraw/zinc/48/55/71/397485571.db2.gz TWDAYCMXJFVJIK-UHFFFAOYSA-N 1 1 319.369 0.655 20 5 DCBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594198151 397512275 /nfs/dbraw/zinc/51/22/75/397512275.db2.gz DOJFLKYZCITRMN-NEPJUHHUSA-N 1 1 307.354 0.924 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CCN1CCC([NH+]2CCOCC2)CC1 ZINC000602899965 397517513 /nfs/dbraw/zinc/51/75/13/397517513.db2.gz VMLKALCPPGQMBS-UHFFFAOYSA-N 1 1 323.397 0.896 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000610336520 397814682 /nfs/dbraw/zinc/81/46/82/397814682.db2.gz VCSOJKQIBAZLQL-JSGCOSHPSA-N 1 1 320.353 0.686 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000610336522 397814975 /nfs/dbraw/zinc/81/49/75/397814975.db2.gz VCSOJKQIBAZLQL-TZMCWYRMSA-N 1 1 320.353 0.686 20 5 DCBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])cnc3N)C2)C1 ZINC000319399169 159008004 /nfs/dbraw/zinc/00/80/04/159008004.db2.gz DXZHCAWJEUTYRR-AWEZNQCLSA-N 1 1 305.338 0.740 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H](n3cccn3)C2)c1 ZINC000362888527 159272949 /nfs/dbraw/zinc/27/29/49/159272949.db2.gz JVCOKFANGXNWEL-GXTWGEPZSA-N 1 1 320.353 0.686 20 5 DCBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)C[NH+]1CCOCC1 ZINC000357054307 287203229 /nfs/dbraw/zinc/20/32/29/287203229.db2.gz LKVFIUUZAFUAAE-JTQLQIEISA-N 1 1 311.342 0.026 20 5 DCBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000268199133 415174588 /nfs/dbraw/zinc/17/45/88/415174588.db2.gz ODXDIJWHMHBZGG-GWCFXTLKSA-N 1 1 307.354 0.780 20 5 DCBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000268248077 415181710 /nfs/dbraw/zinc/18/17/10/415181710.db2.gz WKMVYUJICMHWPW-UFBFGSQYSA-N 1 1 306.322 0.908 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000332099031 415243031 /nfs/dbraw/zinc/24/30/31/415243031.db2.gz QNJGEHVQBKEEIC-UHFFFAOYSA-N 1 1 305.342 0.832 20 5 DCBDMO C[NH+](C)C[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCO1 ZINC000272604228 415295068 /nfs/dbraw/zinc/29/50/68/415295068.db2.gz YDYTYQIHMPDUOA-ZDUSSCGKSA-N 1 1 309.322 0.703 20 5 DCBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)CCC(N)=O)c([N+](=O)[O-])c1 ZINC000353202701 415474007 /nfs/dbraw/zinc/47/40/07/415474007.db2.gz LXWHMWPRTPDUGC-VIFPVBQESA-N 1 1 324.337 0.738 20 5 DCBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCC(N)=O)c([N+](=O)[O-])c1 ZINC000353202701 415474016 /nfs/dbraw/zinc/47/40/16/415474016.db2.gz LXWHMWPRTPDUGC-VIFPVBQESA-N 1 1 324.337 0.738 20 5 DCBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000343574411 415646682 /nfs/dbraw/zinc/64/66/82/415646682.db2.gz QKYCZNLRXIJEGT-LBPRGKRZSA-N 1 1 322.365 0.747 20 5 DCBDMO CCC[C@@]1(CO)CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000344127287 415845636 /nfs/dbraw/zinc/84/56/36/415845636.db2.gz JMKGCHUECBDCEW-ZIAGYGMSSA-N 1 1 312.370 0.637 20 5 DCBDMO C[N@H+](CCOCCO)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000337445878 415962919 /nfs/dbraw/zinc/96/29/19/415962919.db2.gz LKOPTZRBRXGYPW-AWEZNQCLSA-N 1 1 323.349 0.641 20 5 DCBDMO C[N@@H+](CCOCCO)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000337445878 415962924 /nfs/dbraw/zinc/96/29/24/415962924.db2.gz LKOPTZRBRXGYPW-AWEZNQCLSA-N 1 1 323.349 0.641 20 5 DCBDMO COC[C@]1(C(=O)OC)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000296505052 415931347 /nfs/dbraw/zinc/93/13/47/415931347.db2.gz ZLRBIMFNODQPNE-ZDUSSCGKSA-N 1 1 312.326 0.303 20 5 DCBDMO C[N@@H+]1CCO[C@@H](CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000357322781 416062363 /nfs/dbraw/zinc/06/23/63/416062363.db2.gz IPOHLLOIMICCDF-JTQLQIEISA-N 1 1 303.322 1.281 20 5 DCBDMO C[N@H+]1CCO[C@@H](CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000357322781 416062367 /nfs/dbraw/zinc/06/23/67/416062367.db2.gz IPOHLLOIMICCDF-JTQLQIEISA-N 1 1 303.322 1.281 20 5 DCBDMO CC[NH+]1CCN([C@H](C)CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000345433400 416095719 /nfs/dbraw/zinc/09/57/19/416095719.db2.gz FVUUYQZYOLZJPM-SNVBAGLBSA-N 1 1 310.358 0.074 20 5 DCBDMO CCc1nn(C)c(N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301931201 416098004 /nfs/dbraw/zinc/09/80/04/416098004.db2.gz OONVLSWSCCHAKV-WDEREUQCSA-N 1 1 311.386 0.782 20 5 DCBDMO CCc1nn(C)c(N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301931201 416098007 /nfs/dbraw/zinc/09/80/07/416098007.db2.gz OONVLSWSCCHAKV-WDEREUQCSA-N 1 1 311.386 0.782 20 5 DCBDMO NC(=O)NC(=O)CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345664734 416130183 /nfs/dbraw/zinc/13/01/83/416130183.db2.gz JWYOTQVANFWMHP-SECBINFHSA-N 1 1 322.325 0.061 20 5 DCBDMO Cc1[nH+]ccn1CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000338759344 416135227 /nfs/dbraw/zinc/13/52/27/416135227.db2.gz CDLMNZSNNJUTGP-UHFFFAOYSA-N 1 1 306.326 0.848 20 5 DCBDMO CC[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000182736869 416230061 /nfs/dbraw/zinc/23/00/61/416230061.db2.gz LBJCJCAEXJWPSO-NXEZZACHSA-N 1 1 311.342 0.235 20 5 DCBDMO CC[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000182736869 416230064 /nfs/dbraw/zinc/23/00/64/416230064.db2.gz LBJCJCAEXJWPSO-NXEZZACHSA-N 1 1 311.342 0.235 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000342046827 416272590 /nfs/dbraw/zinc/27/25/90/416272590.db2.gz KOIJAQILIDXZOS-MGPQQGTHSA-N 1 1 310.354 0.796 20 5 DCBDMO C[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000547730818 416681992 /nfs/dbraw/zinc/68/19/92/416681992.db2.gz ADIQHSNEYDNCDZ-JTQLQIEISA-N 1 1 323.353 0.270 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000609285194 416654000 /nfs/dbraw/zinc/65/40/00/416654000.db2.gz FDHFLPAPZMCOAC-TZMCWYRMSA-N 1 1 322.365 0.605 20 5 DCBDMO O=[N+]([O-])c1ccn(CCN2CCC[N@@H+](C[C@@H]3CCCO3)CC2)n1 ZINC000610485195 416656528 /nfs/dbraw/zinc/65/65/28/416656528.db2.gz DNPNAVMJCWBRCZ-AWEZNQCLSA-N 1 1 323.397 0.978 20 5 DCBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000441382518 416670591 /nfs/dbraw/zinc/67/05/91/416670591.db2.gz RWOSITSOADQVQQ-QMTHXVAHSA-N 1 1 320.349 0.956 20 5 DCBDMO CNc1nccc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000551896274 416697178 /nfs/dbraw/zinc/69/71/78/416697178.db2.gz IMMJVHPXJAUOLK-PWSUYJOCSA-N 1 1 319.365 1.198 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2CN2CCCC2)c1 ZINC000369825861 416834816 /nfs/dbraw/zinc/83/48/16/416834816.db2.gz LSYPDWQZSSNVKJ-DZGCQCFKSA-N 1 1 323.397 0.712 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]2CN2CCCC2)c1 ZINC000369825861 416834821 /nfs/dbraw/zinc/83/48/21/416834821.db2.gz LSYPDWQZSSNVKJ-DZGCQCFKSA-N 1 1 323.397 0.712 20 5 DCBDMO CCc1[nH]nc(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000565900817 417030728 /nfs/dbraw/zinc/03/07/28/417030728.db2.gz AHEUMXCSZPCXHJ-UHFFFAOYSA-N 1 1 319.325 0.566 20 5 DCBDMO CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525601225 417140879 /nfs/dbraw/zinc/14/08/79/417140879.db2.gz VVGUCVSBAJNUOG-JTQLQIEISA-N 1 1 316.383 0.998 20 5 DCBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC2(CCC2)O1 ZINC000568981386 417199347 /nfs/dbraw/zinc/19/93/47/417199347.db2.gz RSOBCJJQEXRFET-YPMHNXCESA-N 1 1 310.354 0.796 20 5 DCBDMO NC(=O)c1cccc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1[N+](=O)[O-] ZINC000450791100 417267229 /nfs/dbraw/zinc/26/72/29/417267229.db2.gz LPXUVPIMSSKCTL-PHIMTYICSA-N 1 1 320.349 0.969 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H](O)C23CCCC3)c1 ZINC000433301485 417249858 /nfs/dbraw/zinc/24/98/58/417249858.db2.gz GGLWYIRUGWRRTH-STQMWFEESA-N 1 1 310.354 0.532 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000451624532 417365431 /nfs/dbraw/zinc/36/54/31/417365431.db2.gz NQXRPXCZRYYQCQ-NFAWXSAZSA-N 1 1 321.377 0.970 20 5 DCBDMO CN1CC[C@@H]2C[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000451624532 417365436 /nfs/dbraw/zinc/36/54/36/417365436.db2.gz NQXRPXCZRYYQCQ-NFAWXSAZSA-N 1 1 321.377 0.970 20 5 DCBDMO CN1CC[C@@H]2C[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000451624532 417365440 /nfs/dbraw/zinc/36/54/40/417365440.db2.gz NQXRPXCZRYYQCQ-NFAWXSAZSA-N 1 1 321.377 0.970 20 5 DCBDMO CNc1nccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000574582361 417486869 /nfs/dbraw/zinc/48/68/69/417486869.db2.gz GVKNGTHMBQFYPC-ZJUUUORDSA-N 1 1 307.354 1.244 20 5 DCBDMO C[NH+](C)[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000576433886 417609144 /nfs/dbraw/zinc/60/91/44/417609144.db2.gz MWCMLUXWVDSEDN-RYUDHWBXSA-N 1 1 319.321 0.218 20 5 DCBDMO C[N@@H+](CCCCNC(=O)NCCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000454701139 417577227 /nfs/dbraw/zinc/57/72/27/417577227.db2.gz FTXCZUCKYXPPIA-UHFFFAOYSA-N 1 1 324.385 0.965 20 5 DCBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](N3CCOCC3)C2)c1 ZINC000580581865 417714172 /nfs/dbraw/zinc/71/41/72/417714172.db2.gz OPTPGXKUKVYUBQ-ZDUSSCGKSA-N 1 1 309.370 0.588 20 5 DCBDMO CC(C)C[C@H]1COCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304315445 261173933 /nfs/dbraw/zinc/17/39/33/261173933.db2.gz ODAWVJVYDRJNBS-GXTWGEPZSA-N 1 1 312.370 0.899 20 5 DCBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCC[NH+]1CCC1 ZINC000411351246 262169386 /nfs/dbraw/zinc/16/93/86/262169386.db2.gz SXPSLSLXEYUKJD-UHFFFAOYSA-N 1 1 320.349 0.972 20 5 DCBDMO CO[C@@H]1COC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000459830115 272014818 /nfs/dbraw/zinc/01/48/18/272014818.db2.gz PSACIPUCMYCABW-QWHCGFSZSA-N 1 1 309.322 0.845 20 5 DCBDMO CC(C)[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1C ZINC000489383052 272060513 /nfs/dbraw/zinc/06/05/13/272060513.db2.gz DPIGVGUVDGCUGQ-CYBMUJFWSA-N 1 1 322.365 0.555 20 5 DCBDMO C[C@H]1C[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000490320756 272073421 /nfs/dbraw/zinc/07/34/21/272073421.db2.gz RXXAAJJTIFWIPD-QWRGUYRKSA-N 1 1 310.358 0.573 20 5 DCBDMO C[N@H+]1CC[C@@](O)(CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000492602030 272137021 /nfs/dbraw/zinc/13/70/21/272137021.db2.gz HAGKCAMBGIEBME-LQYUOIDQSA-N 1 1 305.334 0.791 20 5 DCBDMO COc1ccc(CC(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000545860967 288003101 /nfs/dbraw/zinc/00/31/01/288003101.db2.gz DXLWVQDWPMDLPO-OAHLLOKOSA-N 1 1 323.349 0.329 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000545885468 288004189 /nfs/dbraw/zinc/00/41/89/288004189.db2.gz WLYMKZHVWOIRHJ-AWEZNQCLSA-N 1 1 308.338 0.461 20 5 DCBDMO C[C@@H]1[C@@H](N2CCCC2)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000347305607 279088108 /nfs/dbraw/zinc/08/81/08/279088108.db2.gz LWUZNHBNAYTIJN-YUELXQCFSA-N 1 1 323.397 0.711 20 5 DCBDMO C[C@@H]1[C@@H](N2CCCC2)CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000347305607 279088110 /nfs/dbraw/zinc/08/81/10/279088110.db2.gz LWUZNHBNAYTIJN-YUELXQCFSA-N 1 1 323.397 0.711 20 5 DCBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CCC[NH2+]C1 ZINC000261721549 280373012 /nfs/dbraw/zinc/37/30/12/280373012.db2.gz KGPIHZDBEXBGOO-MRVPVSSYSA-N 1 1 303.315 0.764 20 5 DCBDMO Cn1ccnc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000562985384 288612442 /nfs/dbraw/zinc/61/24/42/288612442.db2.gz QJCMRYMYKBHEOJ-NSHDSACASA-N 1 1 306.322 0.858 20 5 DCBDMO O=C1C[NH2+]CCN1[C@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000582477051 337096097 /nfs/dbraw/zinc/09/60/97/337096097.db2.gz SWTYLIACFXKHJG-VIFPVBQESA-N 1 1 311.367 0.452 20 5 DCBDMO Cn1cc[nH+]c1N1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000331907136 534791875 /nfs/dbraw/zinc/79/18/75/534791875.db2.gz JQWQUFCMSBYOJU-UHFFFAOYSA-N 1 1 318.337 0.629 20 5 DCBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1[nH]ncc1[N+](=O)[O-] ZINC000128864946 527651122 /nfs/dbraw/zinc/65/11/22/527651122.db2.gz AMKJTVTUYDLZHH-JTQLQIEISA-N 1 1 311.342 0.285 20 5 DCBDMO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1n[nH]cc1[N+](=O)[O-] ZINC000128864946 527651129 /nfs/dbraw/zinc/65/11/29/527651129.db2.gz AMKJTVTUYDLZHH-JTQLQIEISA-N 1 1 311.342 0.285 20 5 DCBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1n[nH]cc1[N+](=O)[O-] ZINC000128864946 527651135 /nfs/dbraw/zinc/65/11/35/527651135.db2.gz AMKJTVTUYDLZHH-JTQLQIEISA-N 1 1 311.342 0.285 20 5 DCBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000340225132 536418566 /nfs/dbraw/zinc/41/85/66/536418566.db2.gz GIAMNSSONZLJLM-YPMHNXCESA-N 1 1 309.322 0.155 20 5 DCBDMO CC[N@H+]1C[C@@H](C)[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821241857 606719106 /nfs/dbraw/zinc/71/91/06/606719106.db2.gz PIOLKXQEWHPXRW-PSASIEDQSA-N 1 1 318.341 0.922 20 5 DCBDMO CC[N@H+]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C[C@@H]1C ZINC000825465787 607822092 /nfs/dbraw/zinc/82/20/92/607822092.db2.gz QPBYYAJPYAEWHB-VIFPVBQESA-N 1 1 318.341 0.700 20 5 DCBDMO Cc1n[nH]c(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000725895544 659260572 /nfs/dbraw/zinc/26/05/72/659260572.db2.gz HACDOXUYLVYAGB-NXEZZACHSA-N 1 1 309.326 0.219 20 5 DCBDMO Cc1cccnc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775360 659557309 /nfs/dbraw/zinc/55/73/09/659557309.db2.gz SDPKLYSLXDSQRS-AMVBZWJASA-N 1 1 316.361 0.602 20 5 DCBDMO Cc1cccnc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001025775360 659557311 /nfs/dbraw/zinc/55/73/11/659557311.db2.gz SDPKLYSLXDSQRS-AMVBZWJASA-N 1 1 316.361 0.602 20 5 DCBDMO Cc1cccnc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001025775360 659557312 /nfs/dbraw/zinc/55/73/12/659557312.db2.gz SDPKLYSLXDSQRS-AMVBZWJASA-N 1 1 316.361 0.602 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000179208281 662827568 /nfs/dbraw/zinc/82/75/68/662827568.db2.gz MAYHGJVGWRUAFS-LBPRGKRZSA-N 1 1 323.349 0.841 20 5 DCBDMO C[N@@H+](CCO)CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000899730206 663183460 /nfs/dbraw/zinc/18/34/60/663183460.db2.gz VYARYFYRUZFKBL-UHFFFAOYSA-N 1 1 301.730 0.902 20 5 DCBDMO CSc1cccc(C(=O)NCC[N@@H+](C)CCO)c1[N+](=O)[O-] ZINC000899737170 663184819 /nfs/dbraw/zinc/18/48/19/663184819.db2.gz BGNXEONMTJXUGR-UHFFFAOYSA-N 1 1 313.379 0.971 20 5 DCBDMO NC(=O)N1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153915764 665065059 /nfs/dbraw/zinc/06/50/59/665065059.db2.gz YJFRCYCGUMHHTN-CYBMUJFWSA-N 1 1 308.338 0.715 20 5 DCBDMO NC(=O)N1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153915764 665065062 /nfs/dbraw/zinc/06/50/62/665065062.db2.gz YJFRCYCGUMHHTN-CYBMUJFWSA-N 1 1 308.338 0.715 20 5 DCBDMO Cc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001034642881 667088995 /nfs/dbraw/zinc/08/89/95/667088995.db2.gz HFVOMZWCVRVLAO-DDHJBXDOSA-N 1 1 323.353 0.560 20 5 DCBDMO Cn1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC001034643840 667089671 /nfs/dbraw/zinc/08/96/71/667089671.db2.gz ULHMAZQOFDCXJM-AAVRWANBSA-N 1 1 321.381 0.602 20 5 DCBDMO CCn1ncc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000863561670 667157838 /nfs/dbraw/zinc/15/78/38/667157838.db2.gz FEURMGRGJDAPRH-GFCCVEGCSA-N 1 1 321.337 0.736 20 5 DCBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000886590964 667779926 /nfs/dbraw/zinc/77/99/26/667779926.db2.gz ICWOGHWTIHTWFD-LBPRGKRZSA-N 1 1 309.370 0.980 20 5 DCBDMO O=[N+]([O-])c1c(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)nc2ccccn21 ZINC000872758425 667936042 /nfs/dbraw/zinc/93/60/42/667936042.db2.gz VDIYSEFIFLHFFS-NWDGAFQWSA-N 1 1 317.349 0.888 20 5 DCBDMO C[N@H+](CC(=O)OCCn1cnc([N+](=O)[O-])n1)[C@H]1CCSC1 ZINC000753952179 668038721 /nfs/dbraw/zinc/03/87/21/668038721.db2.gz CSPSMEQKVSMEQN-VIFPVBQESA-N 1 1 315.355 0.167 20 5 DCBDMO C[N@@H+](CC(=O)OCCn1cnc([N+](=O)[O-])n1)[C@H]1CCSC1 ZINC000753952179 668038723 /nfs/dbraw/zinc/03/87/23/668038723.db2.gz CSPSMEQKVSMEQN-VIFPVBQESA-N 1 1 315.355 0.167 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000890083690 668093911 /nfs/dbraw/zinc/09/39/11/668093911.db2.gz LUILPPKAZFYMGS-UHFFFAOYSA-N 1 1 309.370 0.948 20 5 DCBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H](C)C1 ZINC000839683000 668134038 /nfs/dbraw/zinc/13/40/38/668134038.db2.gz JMOQLTFDVOXMFK-RFQIPJPRSA-N 1 1 313.398 0.905 20 5 DCBDMO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H](C)C1 ZINC000839683000 668134041 /nfs/dbraw/zinc/13/40/41/668134041.db2.gz JMOQLTFDVOXMFK-RFQIPJPRSA-N 1 1 313.398 0.905 20 5 DCBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H](C)C1 ZINC000839683000 668134045 /nfs/dbraw/zinc/13/40/45/668134045.db2.gz JMOQLTFDVOXMFK-RFQIPJPRSA-N 1 1 313.398 0.905 20 5 DCBDMO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839707348 668135503 /nfs/dbraw/zinc/13/55/03/668135503.db2.gz SYFMGFQGHJJVEM-XJFOESAGSA-N 1 1 311.382 0.536 20 5 DCBDMO Cc1cc(F)cc(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000762715002 668372891 /nfs/dbraw/zinc/37/28/91/668372891.db2.gz DUYILVSWBMXBLE-AWEZNQCLSA-N 1 1 311.313 0.839 20 5 DCBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000928568928 668601819 /nfs/dbraw/zinc/60/18/19/668601819.db2.gz QBIFLLJTQOKPCJ-SECBINFHSA-N 1 1 307.306 0.800 20 5 DCBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000928568928 668601822 /nfs/dbraw/zinc/60/18/22/668601822.db2.gz QBIFLLJTQOKPCJ-SECBINFHSA-N 1 1 307.306 0.800 20 5 DCBDMO Cc1nn(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1[N+](=O)[O-] ZINC000779865356 668945470 /nfs/dbraw/zinc/94/54/70/668945470.db2.gz LLFPDCAULBFTCK-AWEZNQCLSA-N 1 1 322.413 0.769 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H]3CSC[C@H]3C2)c1 ZINC000879560193 669062796 /nfs/dbraw/zinc/06/27/96/669062796.db2.gz RXNUTQQKWCVJQJ-NQBHXWOUSA-N 1 1 312.395 0.837 20 5 DCBDMO C[N@@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000931405397 669193545 /nfs/dbraw/zinc/19/35/45/669193545.db2.gz BDDVSURJXPOSHY-NSHDSACASA-N 1 1 308.338 0.142 20 5 DCBDMO C[N@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000931405397 669193550 /nfs/dbraw/zinc/19/35/50/669193550.db2.gz BDDVSURJXPOSHY-NSHDSACASA-N 1 1 308.338 0.142 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000932001806 669295661 /nfs/dbraw/zinc/29/56/61/669295661.db2.gz BRQYWMHDISIMOY-NSHDSACASA-N 1 1 309.322 0.451 20 5 DCBDMO CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@@H+]1CCO ZINC000787306752 669366280 /nfs/dbraw/zinc/36/62/80/669366280.db2.gz HACILNKPIYZEMH-UHFFFAOYSA-N 1 1 322.365 0.706 20 5 DCBDMO CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@H+]1CCO ZINC000787306752 669366282 /nfs/dbraw/zinc/36/62/82/669366282.db2.gz HACILNKPIYZEMH-UHFFFAOYSA-N 1 1 322.365 0.706 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000934572507 669616520 /nfs/dbraw/zinc/61/65/20/669616520.db2.gz AXSHXDZDADUSHS-BXKDBHETSA-N 1 1 307.354 0.699 20 5 DCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC1)C[N@@H+](CC1CC1)CCO2 ZINC000949365924 670323564 /nfs/dbraw/zinc/32/35/64/670323564.db2.gz MDCSFYMCRYKJCD-ZIAGYGMSSA-N 1 1 323.393 0.755 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC1)C[N@H+](CC1CC1)CCO2 ZINC000949365924 670323568 /nfs/dbraw/zinc/32/35/68/670323568.db2.gz MDCSFYMCRYKJCD-ZIAGYGMSSA-N 1 1 323.393 0.755 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC1)C[N@@H+](CC1CC1)CCO2 ZINC000949365924 670323572 /nfs/dbraw/zinc/32/35/72/670323572.db2.gz MDCSFYMCRYKJCD-ZIAGYGMSSA-N 1 1 323.393 0.755 20 5 DCBDMO CN1CC[N@H+](C)C[C@H]1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819048741 671089380 /nfs/dbraw/zinc/08/93/80/671089380.db2.gz ASZYIANIKOJNMZ-HUUCEWRRSA-N 1 1 308.382 0.464 20 5 DCBDMO CN1CC[N@@H+](C)C[C@H]1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819048741 671089383 /nfs/dbraw/zinc/08/93/83/671089383.db2.gz ASZYIANIKOJNMZ-HUUCEWRRSA-N 1 1 308.382 0.464 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827329844 671523158 /nfs/dbraw/zinc/52/31/58/671523158.db2.gz INCLYFXBOLLPLX-NWDGAFQWSA-N 1 1 307.354 0.652 20 5 DCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H](C)C1 ZINC000829911322 671595777 /nfs/dbraw/zinc/59/57/77/671595777.db2.gz VILKAKZONROWLT-NWDGAFQWSA-N 1 1 301.387 0.735 20 5 DCBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000841456965 671934562 /nfs/dbraw/zinc/93/45/62/671934562.db2.gz NGSRYADRHQPYQO-GHMZBOCLSA-N 1 1 322.365 0.704 20 5 DCBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000841456965 671934564 /nfs/dbraw/zinc/93/45/64/671934564.db2.gz NGSRYADRHQPYQO-GHMZBOCLSA-N 1 1 322.365 0.704 20 5 DCBDMO O=C1C[NH2+]CCN1Cc1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000843170489 672067349 /nfs/dbraw/zinc/06/73/49/672067349.db2.gz CJQGRYSQPVACCU-UHFFFAOYSA-N 1 1 317.305 0.500 20 5 DCBDMO Cc1nc(CC[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC001020138811 693710035 /nfs/dbraw/zinc/71/00/35/693710035.db2.gz BKXZRAUPSJZMPX-FDYHWXHSSA-N 1 1 324.406 0.896 20 5 DCBDMO CN(C[C@H]1COCCO1)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001578458940 1165022661 /nfs/dbraw/zinc/02/26/61/1165022661.db2.gz CUWXUQXEDHMPRD-DZGCQCFKSA-N 1 1 323.349 0.643 20 5 DCBDMO CC(C)(O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001584198934 1166314732 /nfs/dbraw/zinc/31/47/32/1166314732.db2.gz NGXSKLPFKDJXHT-UHFFFAOYSA-N 1 1 322.365 0.706 20 5 DCBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001587411906 1166506756 /nfs/dbraw/zinc/50/67/56/1166506756.db2.gz CGCOSLULJBKJQW-HNNXBMFYSA-N 1 1 323.349 0.292 20 5 DCBDMO COCC[N@@H+](C)CCNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC001591421031 1167279324 /nfs/dbraw/zinc/27/93/24/1167279324.db2.gz XFBOXDZXUWXDHW-UHFFFAOYSA-N 1 1 321.341 0.765 20 5 DCBDMO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC001593482708 1167869489 /nfs/dbraw/zinc/86/94/89/1167869489.db2.gz QHGJBRMCLFUMPX-SDBXPKJASA-N 1 1 302.294 0.342 20 5 DCBDMO C[C@@H]([NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001620568290 1171403360 /nfs/dbraw/zinc/40/33/60/1171403360.db2.gz FRLHEOZRJHAXNI-MNOVXSKESA-N 1 1 322.365 0.838 20 5 DCBDMO C[C@@H]1CN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC001627866477 1171514504 /nfs/dbraw/zinc/51/45/04/1171514504.db2.gz HFQMDSPWWDWCQO-LLVKDONJSA-N 1 1 321.333 0.949 20 5 DCBDMO C[C@@H]1CN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC[N@H+]1C ZINC001627866477 1171514509 /nfs/dbraw/zinc/51/45/09/1171514509.db2.gz HFQMDSPWWDWCQO-LLVKDONJSA-N 1 1 321.333 0.949 20 5 DCBDMO CNc1nccc(C(=O)N(C)CC[N@@H+](C)CCO)c1[N+](=O)[O-] ZINC001630593867 1171574155 /nfs/dbraw/zinc/57/41/55/1171574155.db2.gz PMKPWZBKSYVCMM-UHFFFAOYSA-N 1 1 311.342 0.028 20 5 DCBDMO C[C@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC001633829584 1171654612 /nfs/dbraw/zinc/65/46/12/1171654612.db2.gz MXFOJNRFAWXLSH-NSHDSACASA-N 1 1 320.349 0.523 20 5 DCBDMO CC1=CC[N@@H+](CCNC(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001639909889 1171855472 /nfs/dbraw/zinc/85/54/72/1171855472.db2.gz OXFFLCRPWOJJHG-UHFFFAOYSA-N 1 1 305.338 0.954 20 5 DCBDMO O=C(CC[N@@H+]1C[C@H](CO)[C@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC001644246925 1172000503 /nfs/dbraw/zinc/00/05/03/1172000503.db2.gz VHXDUSJDIYMCQA-TXEJJXNPSA-N 1 1 323.349 0.456 20 5 DCBDMO C[N@@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)[C@@H](CO)C1 ZINC001647902997 1173060752 /nfs/dbraw/zinc/06/07/52/1173060752.db2.gz RWAZJPDAHCFJGO-LLVKDONJSA-N 1 1 318.333 0.825 20 5 DCBDMO C[N@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)[C@@H](CO)C1 ZINC001647902997 1173060758 /nfs/dbraw/zinc/06/07/58/1173060758.db2.gz RWAZJPDAHCFJGO-LLVKDONJSA-N 1 1 318.333 0.825 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@H](Nc3nccc(C(N)=O)c3[N+](=O)[O-])[C@H]2C1 ZINC001651524643 1173750840 /nfs/dbraw/zinc/75/08/40/1173750840.db2.gz BWDZCIATFOZLIU-LSJOCFKGSA-N 1 1 305.338 0.841 20 5 DCBDMO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@@]3(CO)CCCC[C@@]3(CO)C2)n1 ZINC001654996623 1173813830 /nfs/dbraw/zinc/81/38/30/1173813830.db2.gz GTXDBVALAOZLEL-GASCZTMLSA-N 1 1 324.381 0.638 20 5 DCBDMO C[N@@H+](CCNc1nc2cc([N+](=O)[O-])ccc2[nH]1)CCOCCO ZINC001655793496 1173827173 /nfs/dbraw/zinc/82/71/73/1173827173.db2.gz RQWWRLVLJPBBDI-UHFFFAOYSA-N 1 1 323.353 0.824 20 5 DCBDMO COC(=O)C[C@]1([NH2+]Cc2cn(C)nc2[N+](=O)[O-])CCCOC1 ZINC001658341286 1173921979 /nfs/dbraw/zinc/92/19/79/1173921979.db2.gz PEMYGYWWOWTLNV-CYBMUJFWSA-N 1 1 312.326 0.530 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C/C=C\CNC(=O)c1ccon1 ZINC001668726736 1174827932 /nfs/dbraw/zinc/82/79/32/1174827932.db2.gz UZHFHWAITLJIFS-IHWYPQMZSA-N 1 1 320.309 0.392 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C/C=C\CNC(=O)c1cocn1 ZINC001668745500 1174830771 /nfs/dbraw/zinc/83/07/71/1174830771.db2.gz HYZSVEMRSVNTFE-IHWYPQMZSA-N 1 1 320.309 0.392 20 5 DCBDMO Cn1ccnc1C[NH2+]CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001714133045 1181258554 /nfs/dbraw/zinc/25/85/54/1181258554.db2.gz HQWDLUFTCOLZNW-VXGBXAGGSA-N 1 1 321.381 0.604 20 5 DCBDMO Cn1cncc1C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001733717130 1186413325 /nfs/dbraw/zinc/41/33/25/1186413325.db2.gz XOPMRROBWAYKFJ-VXGBXAGGSA-N 1 1 307.354 0.214 20 5 DCBDMO COc1cc(C)nc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC001164666509 719390241 /nfs/dbraw/zinc/39/02/41/719390241.db2.gz KSJYYYDXNSITLM-CMPLNLGQSA-N 1 1 308.338 0.826 20 5 DCBDMO CCOc1nc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)ccc1[N+](=O)[O-] ZINC001164669217 719416147 /nfs/dbraw/zinc/41/61/47/719416147.db2.gz LITIGRWHLGCZLQ-NEPJUHHUSA-N 1 1 308.338 0.908 20 5 DCBDMO O=[N+]([O-])c1cc[n+]([O-])c(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1 ZINC001164965927 722067140 /nfs/dbraw/zinc/06/71/40/722067140.db2.gz SBQBGXYOIQCZOG-OKILXGFUSA-N 1 1 320.349 0.528 20 5 DCBDMO O=[N+]([O-])c1cc[n+]([O-])c(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c1 ZINC001164965927 722067142 /nfs/dbraw/zinc/06/71/42/722067142.db2.gz SBQBGXYOIQCZOG-OKILXGFUSA-N 1 1 320.349 0.528 20 5 DCBDMO Cc1nscc1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001125931087 748087168 /nfs/dbraw/zinc/08/71/68/748087168.db2.gz RNTNDVNBELJOBU-UHFFFAOYSA-N 1 1 324.366 0.613 20 5 DCBDMO Cc1nc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)co1 ZINC001086084053 759692980 /nfs/dbraw/zinc/69/29/80/759692980.db2.gz ANGBVHWLLGUCQR-LYIQGSDWSA-N 1 1 308.338 0.633 20 5 DCBDMO COC[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2nnn(C)c21 ZINC001169019028 760559311 /nfs/dbraw/zinc/55/93/11/760559311.db2.gz GIGCFULHTXEMIR-SDDRHHMPSA-N 1 1 309.370 0.806 20 5 DCBDMO COC[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2nnn(C)c21 ZINC001169019028 760559315 /nfs/dbraw/zinc/55/93/15/760559315.db2.gz GIGCFULHTXEMIR-SDDRHHMPSA-N 1 1 309.370 0.806 20 5 DCBDMO C[NH+]1CCN(CCCCNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC001136188193 766257638 /nfs/dbraw/zinc/25/76/38/766257638.db2.gz ZEHBSDWGLJRMPB-UHFFFAOYSA-N 1 1 314.430 0.966 20 5 DCBDMO C[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])N1CCN(C)CC1 ZINC001144227743 766830843 /nfs/dbraw/zinc/83/08/43/766830843.db2.gz YHSMMCIFXVYKGA-GFCCVEGCSA-N 1 1 300.403 0.574 20 5 DCBDMO Cc1nn(C)c(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC001120071352 766894746 /nfs/dbraw/zinc/89/47/46/766894746.db2.gz SQKVQBIKQDDWGF-VXGBXAGGSA-N 1 1 309.370 0.672 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cnc3N)CC[C@@H]21 ZINC001171814598 769383498 /nfs/dbraw/zinc/38/34/98/769383498.db2.gz KHFHIZLMXDNCOI-SKDRFNHKSA-N 1 1 305.338 0.738 20 5 DCBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)C[C@@H](O)CO)c1F ZINC001173186285 769556538 /nfs/dbraw/zinc/55/65/38/769556538.db2.gz PKWQHLSGVFTHAQ-VHSXEESVSA-N 1 1 316.329 0.959 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N(CCC[NH2+]CCO)CC1CCCC1 ZINC001177314067 770404725 /nfs/dbraw/zinc/40/47/25/770404725.db2.gz ZBVZZXXRBQBQCV-ZIAGYGMSSA-N 1 1 313.398 0.642 20 5 DCBDMO Cc1nc(Cl)nc(NCCN2CC[NH2+]CC2=O)c1[N+](=O)[O-] ZINC001161019214 772150723 /nfs/dbraw/zinc/15/07/23/772150723.db2.gz LJDRUUYGIYAWLI-UHFFFAOYSA-N 1 1 314.733 0.190 20 5 DCBDMO O=[N+]([O-])c1cnccc1NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001164380690 772652571 /nfs/dbraw/zinc/65/25/71/772652571.db2.gz ZCBAAPLCQLZKKV-SMDDNHRTSA-N 1 1 308.338 0.049 20 5 DCBDMO NC(=O)[C@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)CC[NH2+]1 ZINC001166726024 772851886 /nfs/dbraw/zinc/85/18/86/772851886.db2.gz UVZJOMJBNLNDLS-LLVKDONJSA-N 1 1 301.306 0.407 20 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940225833 /nfs/dbraw/zinc/22/58/33/940225833.db2.gz MQQQWIGCNZSRSW-LLGAQUFESA-N 1 1 320.349 0.517 20 5 DCBDMO Cc1ccc(NC(=O)C(=O)NCC[NH+]2CC=CC2)cc1[N+](=O)[O-] ZINC001320715147 945988402 /nfs/dbraw/zinc/98/84/02/945988402.db2.gz NJRZVVPYUJSYJF-UHFFFAOYSA-N 1 1 318.333 0.830 20 5 DCBDMO CC[N@H+]1CCC[C@@H](CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001322846391 946833967 /nfs/dbraw/zinc/83/39/67/946833967.db2.gz QMHPFGOAJUFFEM-LBPRGKRZSA-N 1 1 322.365 0.605 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC001338462074 953016632 /nfs/dbraw/zinc/01/66/32/953016632.db2.gz KZOBBLMYQYIWTL-WCFLWFBJSA-N 1 1 307.354 0.638 20 5 DCBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC001344414253 953481654 /nfs/dbraw/zinc/48/16/54/953481654.db2.gz MEVDEDKCEXCIBY-LBPRGKRZSA-N 1 1 322.365 0.754 20 5 DCBDMO CC[N@H+]1CCCN(c2nnc(C[N+](=O)[O-])n2CCOC)CC1 ZINC001345647996 953695029 /nfs/dbraw/zinc/69/50/29/953695029.db2.gz UDBIZRAIPDBCBH-UHFFFAOYSA-N 1 1 312.374 0.233 20 5 DCBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@]1(CO)COCC[NH2+]1 ZINC001302504406 960025562 /nfs/dbraw/zinc/02/55/62/960025562.db2.gz RUYWWJVAZSVIGK-YFCVBGDOSA-N 1 1 321.333 0.075 20 5 DCBDMO Cn1cc([N+](=O)[O-])c(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)n1 ZINC001307074371 960138658 /nfs/dbraw/zinc/13/86/58/960138658.db2.gz AWVDHHKBEMKOMX-NSHDSACASA-N 1 1 322.369 0.247 20 5 DCBDMO CON1CC[C@H]([N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC001307546720 960154347 /nfs/dbraw/zinc/15/43/47/960154347.db2.gz YQOSKUGRXDSGNI-JQWIXIFHSA-N 1 1 321.337 0.638 20 5 DCBDMO CON1CC[C@H]([N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC001307546720 960154352 /nfs/dbraw/zinc/15/43/52/960154352.db2.gz YQOSKUGRXDSGNI-JQWIXIFHSA-N 1 1 321.337 0.638 20 5 DCBDMO CON1CC[C@@H]([N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC001307546722 960154536 /nfs/dbraw/zinc/15/45/36/960154536.db2.gz YQOSKUGRXDSGNI-ZYHUDNBSSA-N 1 1 321.337 0.638 20 5 DCBDMO 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311.338 0.566 20 5 DCBDMO C[N@H+]1CC[C@H]2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000272634810 210038071 /nfs/dbraw/zinc/03/80/71/210038071.db2.gz XKLOWKJSLCQPST-AAEUAGOBSA-N 1 1 322.369 0.527 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](N3CCCCC3)C2)c1 ZINC000331734523 234061682 /nfs/dbraw/zinc/06/16/82/234061682.db2.gz UBAYVVXUGWXOSS-HIFRSBDPSA-N 1 1 323.397 0.712 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](N3CCCCC3)C2)c1 ZINC000331734523 234061684 /nfs/dbraw/zinc/06/16/84/234061684.db2.gz UBAYVVXUGWXOSS-HIFRSBDPSA-N 1 1 323.397 0.712 20 5 DCBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C1 ZINC000174501690 198342495 /nfs/dbraw/zinc/34/24/95/198342495.db2.gz SAFZQHAOYKOJIM-GFCCVEGCSA-N 1 1 309.370 0.900 20 5 DCBDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000367602253 291067332 /nfs/dbraw/zinc/06/73/32/291067332.db2.gz SCYXXLCLWYHLDK-NWDGAFQWSA-N 1 1 309.370 0.623 20 5 DCBDMO 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DCBDMO C[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)[NH+]1CCSCC1 ZINC000154013818 396029084 /nfs/dbraw/zinc/02/90/84/396029084.db2.gz OQMGOCFHNNHVND-JTQLQIEISA-N 1 1 313.383 0.345 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000068203219 396048998 /nfs/dbraw/zinc/04/89/98/396048998.db2.gz CJHOLFRWFMGJAB-LLVKDONJSA-N 1 1 309.370 0.948 20 5 DCBDMO CN(C)C(=O)CN1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000076648225 396207036 /nfs/dbraw/zinc/20/70/36/396207036.db2.gz UUJPQMBQKMTHNI-UHFFFAOYSA-N 1 1 320.393 0.843 20 5 DCBDMO CC[N@@H+]1CCO[C@@H](C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000074067117 396156975 /nfs/dbraw/zinc/15/69/75/396156975.db2.gz NHZUDYOTZNWPML-CQSZACIVSA-N 1 1 307.350 0.974 20 5 DCBDMO CC[N@H+]1CCO[C@@H](C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000074067117 396156976 /nfs/dbraw/zinc/15/69/76/396156976.db2.gz NHZUDYOTZNWPML-CQSZACIVSA-N 1 1 307.350 0.974 20 5 DCBDMO CCNC(=O)C[N@@H+]1CCCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074740035 396171109 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CC[N@@H+](CCO)CCNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000183991033 396280005 /nfs/dbraw/zinc/28/00/05/396280005.db2.gz BENJHNKBBWXTGV-UHFFFAOYSA-N 1 1 311.338 0.647 20 5 DCBDMO C[C@@]1(C(N)=O)CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000280874569 396227164 /nfs/dbraw/zinc/22/71/64/396227164.db2.gz ZTOGKQMDXZFWHR-IAQYHMDHSA-N 1 1 323.349 0.532 20 5 DCBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N1CCNC1=O ZINC000282431021 396289578 /nfs/dbraw/zinc/28/95/78/396289578.db2.gz KBGYNHGJHHKJCT-UHFFFAOYSA-N 1 1 306.322 0.621 20 5 DCBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N1CCNC1=O ZINC000282431021 396289579 /nfs/dbraw/zinc/28/95/79/396289579.db2.gz KBGYNHGJHHKJCT-UHFFFAOYSA-N 1 1 306.322 0.621 20 5 DCBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)C[NH+]1CCOCC1 ZINC000184429016 396295330 /nfs/dbraw/zinc/29/53/30/396295330.db2.gz IRHIHWVAYAINQQ-NSHDSACASA-N 1 1 322.365 0.875 20 5 DCBDMO Cc1cccc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000264614476 396295874 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1 1 310.354 0.605 20 5 DCBDMO Cc1nc(NCCC[N@H+]2CCC[C@H]2C(N)=O)ncc1[N+](=O)[O-] ZINC000297187551 415955418 /nfs/dbraw/zinc/95/54/18/415955418.db2.gz QLGAHXVTNAAACN-JTQLQIEISA-N 1 1 308.342 0.445 20 5 DCBDMO COCC[NH+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000298308399 416001891 /nfs/dbraw/zinc/00/18/91/416001891.db2.gz CSYBBLZWUXCYEC-UHFFFAOYSA-N 1 1 323.349 0.764 20 5 DCBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000337746456 416004731 /nfs/dbraw/zinc/00/47/31/416004731.db2.gz UHDCENPMQNPLJQ-UHFFFAOYSA-N 1 1 324.385 0.084 20 5 DCBDMO NC(=O)c1ccnc(N2CCN(c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000357685088 416116481 /nfs/dbraw/zinc/11/64/81/416116481.db2.gz YLHPOQWYDIDAAO-UHFFFAOYSA-N 1 1 317.309 0.138 20 5 DCBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)C[NH+]1CCOCC1 ZINC000180569791 416198883 /nfs/dbraw/zinc/19/88/83/416198883.db2.gz VKKNUFZIMLPNSW-SNVBAGLBSA-N 1 1 323.353 0.270 20 5 DCBDMO COCCC[N@@H+](C)CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180813216 416201467 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20 5 DCBDMO CNc1ccc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000545156099 416663941 /nfs/dbraw/zinc/66/39/41/416663941.db2.gz GYXSAAANMHERJF-CQSZACIVSA-N 1 1 308.338 0.433 20 5 DCBDMO CNc1nccc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000551896273 416696578 /nfs/dbraw/zinc/69/65/78/416696578.db2.gz IMMJVHPXJAUOLK-JQWIXIFHSA-N 1 1 319.365 1.198 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425499863 416709714 /nfs/dbraw/zinc/70/97/14/416709714.db2.gz BRLQXHKZYZQGGA-LBPRGKRZSA-N 1 1 318.337 0.685 20 5 DCBDMO CC1(C)CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000614895546 416722871 /nfs/dbraw/zinc/72/28/71/416722871.db2.gz WESMWBIFNGWCCV-UHFFFAOYSA-N 1 1 324.337 0.224 20 5 DCBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000557463444 416736309 /nfs/dbraw/zinc/73/63/09/416736309.db2.gz SLHQDWHTHYEUDX-SNVBAGLBSA-N 1 1 307.354 1.246 20 5 DCBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000525600944 417140553 /nfs/dbraw/zinc/14/05/53/417140553.db2.gz AUFOFYCXXHWECX-UHFFFAOYSA-N 1 1 314.367 0.706 20 5 DCBDMO CC[N@H+]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000525600944 417140562 /nfs/dbraw/zinc/14/05/62/417140562.db2.gz AUFOFYCXXHWECX-UHFFFAOYSA-N 1 1 314.367 0.706 20 5 DCBDMO CN1CC[NH2+]C[C@@H]1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000449694859 417165543 /nfs/dbraw/zinc/16/55/43/417165543.db2.gz HKSWZICYKDGDTO-SNVBAGLBSA-N 1 1 318.337 0.105 20 5 DCBDMO CNc1nccc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000579255426 417690172 /nfs/dbraw/zinc/69/01/72/417690172.db2.gz FWHJSWMUHRRUOY-SECBINFHSA-N 1 1 305.338 0.998 20 5 DCBDMO CC[N@@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000183998228 261117736 /nfs/dbraw/zinc/11/77/36/261117736.db2.gz UHMSBXQJKTYDJD-UHFFFAOYSA-N 1 1 311.338 0.647 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000358655969 271063906 /nfs/dbraw/zinc/06/39/06/271063906.db2.gz YUNQDWFJHABFEG-HNNXBMFYSA-N 1 1 322.365 0.503 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000492602131 272136488 /nfs/dbraw/zinc/13/64/88/272136488.db2.gz HAGKCAMBGIEBME-XHPSBEMXSA-N 1 1 305.334 0.791 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000343000667 274004255 /nfs/dbraw/zinc/00/42/55/274004255.db2.gz OEOQVDWJBIMHQQ-JTQLQIEISA-N 1 1 324.337 0.279 20 5 DCBDMO CCOCC[C@H](O)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298134183 276328335 /nfs/dbraw/zinc/32/83/35/276328335.db2.gz QFTALRWRMFJMDH-ZDUSSCGKSA-N 1 1 324.381 0.899 20 5 DCBDMO C[N@H+]1CCO[C@@H]2CN(c3cccc(C(N)=O)c3[N+](=O)[O-])C[C@@H]21 ZINC000342707507 277125103 /nfs/dbraw/zinc/12/51/03/277125103.db2.gz STPBRYODZDQITJ-NWDGAFQWSA-N 1 1 306.322 0.213 20 5 DCBDMO CNC(=O)c1ccc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000153154164 277259386 /nfs/dbraw/zinc/25/93/86/277259386.db2.gz FMFXIHFFJDCXIH-ZIAGYGMSSA-N 1 1 320.349 0.474 20 5 DCBDMO Cc1n[nH]c(C(=O)N2CC[NH+](C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000267008770 525466549 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311.382 0.755 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@H+](CCOC2CCC2)CC1 ZINC000981138197 661085483 /nfs/dbraw/zinc/08/54/83/661085483.db2.gz PLWZLYNYEJHFIP-ZIAGYGMSSA-N 1 1 311.382 0.755 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@@H+](CCOC2CCC2)CC1 ZINC000981138197 661085484 /nfs/dbraw/zinc/08/54/84/661085484.db2.gz PLWZLYNYEJHFIP-ZIAGYGMSSA-N 1 1 311.382 0.755 20 5 DCBDMO Cc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)on1 ZINC000983649750 661996754 /nfs/dbraw/zinc/99/67/54/661996754.db2.gz RFWJGAYGRONKOG-FPQZTECRSA-N 1 1 308.338 0.633 20 5 DCBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[N@H+](C)[C@H](CO)C1 ZINC000894885922 662027074 /nfs/dbraw/zinc/02/70/74/662027074.db2.gz STAOVNUXRSVAJK-NSHDSACASA-N 1 1 323.349 0.803 20 5 DCBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[N@@H+](C)[C@H](CO)C1 ZINC000894885922 662027075 /nfs/dbraw/zinc/02/70/75/662027075.db2.gz STAOVNUXRSVAJK-NSHDSACASA-N 1 1 323.349 0.803 20 5 DCBDMO CCn1nc(C)c([N+](=O)[O-])c1N(C)CC(=O)N1CC[NH+](C)CC1 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ZINC000872230983 667880386 /nfs/dbraw/zinc/88/03/86/667880386.db2.gz BTICVNGPODFFDX-OAHLLOKOSA-N 1 1 322.409 0.601 20 5 DCBDMO Cn1c(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000747232057 667898169 /nfs/dbraw/zinc/89/81/69/667898169.db2.gz QBIUBCDSESKHCG-WDEREUQCSA-N 1 1 308.338 0.526 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000747232250 667898248 /nfs/dbraw/zinc/89/82/48/667898248.db2.gz VLICREXRJNZNHZ-CMPLNLGQSA-N 1 1 308.338 0.526 20 5 DCBDMO CCOC(=O)[C@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC12COC2 ZINC000877558023 668628347 /nfs/dbraw/zinc/62/83/47/668628347.db2.gz UMBMASYPZNCYKZ-LLVKDONJSA-N 1 1 324.337 0.340 20 5 DCBDMO CCOC(=O)[C@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CC12COC2 ZINC000877558023 668628351 /nfs/dbraw/zinc/62/83/51/668628351.db2.gz UMBMASYPZNCYKZ-LLVKDONJSA-N 1 1 324.337 0.340 20 5 DCBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)C1(O)CCOCC1 ZINC000930442182 669019301 /nfs/dbraw/zinc/01/93/01/669019301.db2.gz VGLUJOZHZVVXMA-OAHLLOKOSA-N 1 1 324.377 0.972 20 5 DCBDMO CN1C(=O)[C@H]2C[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@H]2C1=O ZINC000879531288 669054421 /nfs/dbraw/zinc/05/44/21/669054421.db2.gz AJEYZIJOEKHKBO-PHIMTYICSA-N 1 1 307.281 0.781 20 5 DCBDMO CN1C(=O)[C@H]2C[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@H]2C1=O ZINC000879531288 669054425 /nfs/dbraw/zinc/05/44/25/669054425.db2.gz AJEYZIJOEKHKBO-PHIMTYICSA-N 1 1 307.281 0.781 20 5 DCBDMO C[C@@H](CN1CCN(C)CC1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819032002 671086890 /nfs/dbraw/zinc/08/68/90/671086890.db2.gz BEWYWPHZMZUTMP-BBRMVZONSA-N 1 1 322.409 0.854 20 5 DCBDMO O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840372862 671092353 /nfs/dbraw/zinc/09/23/53/671092353.db2.gz SJMRNQGVAQATJU-FMKPAKJESA-N 1 1 319.361 0.405 20 5 DCBDMO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000840372862 671092355 /nfs/dbraw/zinc/09/23/55/671092355.db2.gz SJMRNQGVAQATJU-FMKPAKJESA-N 1 1 319.361 0.405 20 5 DCBDMO O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000840372862 671092359 /nfs/dbraw/zinc/09/23/59/671092359.db2.gz SJMRNQGVAQATJU-FMKPAKJESA-N 1 1 319.361 0.405 20 5 DCBDMO O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840392954 671132623 /nfs/dbraw/zinc/13/26/23/671132623.db2.gz BFHNMUWOEYJXHM-RBSFLKMASA-N 1 1 319.361 0.187 20 5 DCBDMO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000840392954 671132626 /nfs/dbraw/zinc/13/26/26/671132626.db2.gz BFHNMUWOEYJXHM-RBSFLKMASA-N 1 1 319.361 0.187 20 5 DCBDMO O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000840392954 671132628 /nfs/dbraw/zinc/13/26/28/671132628.db2.gz BFHNMUWOEYJXHM-RBSFLKMASA-N 1 1 319.361 0.187 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC[C@@H]21 ZINC000827328268 671522791 /nfs/dbraw/zinc/52/27/91/671522791.db2.gz DKJFOPMLRVCLGG-YPMHNXCESA-N 1 1 320.349 0.309 20 5 DCBDMO Cc1nn(C)c(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000827340072 671523424 /nfs/dbraw/zinc/52/34/24/671523424.db2.gz XMGVKGMWFYTQLO-GHMZBOCLSA-N 1 1 307.354 0.803 20 5 DCBDMO C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000833336562 671747126 /nfs/dbraw/zinc/74/71/26/671747126.db2.gz FOOUOSQLBLFPCR-IACUBPJLSA-N 1 1 305.334 0.791 20 5 DCBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H](C)C[N@@H+]1CCO ZINC000841456966 671934573 /nfs/dbraw/zinc/93/45/73/671934573.db2.gz NGSRYADRHQPYQO-MNOVXSKESA-N 1 1 322.365 0.704 20 5 DCBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H](C)C[N@H+]1CCO ZINC000841456966 671934574 /nfs/dbraw/zinc/93/45/74/671934574.db2.gz NGSRYADRHQPYQO-MNOVXSKESA-N 1 1 322.365 0.704 20 5 DCBDMO COc1cc[nH+]c(N2CCN(Cn3nccc3[N+](=O)[O-])CC2)c1 ZINC000104654463 671987069 /nfs/dbraw/zinc/98/70/69/671987069.db2.gz FZBPWFJZAMVFAJ-UHFFFAOYSA-N 1 1 318.337 0.975 20 5 DCBDMO COc1ccc(C[N@@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 ZINC001566454200 1159986673 /nfs/dbraw/zinc/98/66/73/1159986673.db2.gz ZHNAYVZALYKLGE-VXGBXAGGSA-N 1 1 323.353 0.089 20 5 DCBDMO C[N@@H+](CCNC(=O)C(C)(C)C(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001567286579 1160296038 /nfs/dbraw/zinc/29/60/38/1160296038.db2.gz OQNAZXZIKMGTAH-UHFFFAOYSA-N 1 1 322.365 0.654 20 5 DCBDMO C[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C[C@H](CO)O1 ZINC001576759816 1164452204 /nfs/dbraw/zinc/45/22/04/1164452204.db2.gz DTZNUBPGJCHASN-YVLXSGLVSA-N 1 1 323.349 0.377 20 5 DCBDMO Nc1ncc(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC001583990105 1166298837 /nfs/dbraw/zinc/29/88/37/1166298837.db2.gz XJDLDIJIDHXBPS-QWRGUYRKSA-N 1 1 321.337 0.165 20 5 DCBDMO C[C@H]1[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[N@H+]1C ZINC001590177352 1166800364 /nfs/dbraw/zinc/80/03/64/1166800364.db2.gz CYTOPMBJDVJWRQ-IONNQARKSA-N 1 1 304.314 0.674 20 5 DCBDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590213244 1166814572 /nfs/dbraw/zinc/81/45/72/1166814572.db2.gz CWEVBALGIUIPJI-BDAKNGLRSA-N 1 1 304.310 0.730 20 5 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ZINC001654291527 1173803955 /nfs/dbraw/zinc/80/39/55/1173803955.db2.gz VUNNSVHJYLXTKQ-ABAIWWIYSA-N 1 1 323.349 0.741 20 5 DCBDMO COC(=O)[C@@]1(O)CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC001654620294 1173807766 /nfs/dbraw/zinc/80/77/66/1173807766.db2.gz QRNGOKVVIWRXEJ-CQSZACIVSA-N 1 1 310.306 0.713 20 5 DCBDMO COC(=O)[C@@]1(O)CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC001654620294 1173807768 /nfs/dbraw/zinc/80/77/68/1173807768.db2.gz QRNGOKVVIWRXEJ-CQSZACIVSA-N 1 1 310.306 0.713 20 5 DCBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](CO)[C@H]2CO)cc1 ZINC001659623290 1173934684 /nfs/dbraw/zinc/93/46/84/1173934684.db2.gz ZIWMSABCOMVEHR-CFVMTHIKSA-N 1 1 310.350 0.693 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(c3ncccn3)CCC2)c1 ZINC001659954921 1173938780 /nfs/dbraw/zinc/93/87/80/1173938780.db2.gz PTEUMAYJFVFBMA-LBPRGKRZSA-N 1 1 318.337 0.611 20 5 DCBDMO Cn1ncc(C(=O)NCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001663296267 1174284440 /nfs/dbraw/zinc/28/44/40/1174284440.db2.gz LJNGGKVYUPMAQG-UHFFFAOYSA-N 1 1 318.337 0.585 20 5 DCBDMO C[N@H+]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC001671961201 1175048419 /nfs/dbraw/zinc/04/84/19/1175048419.db2.gz YYYMDBJQBIHCIF-SNVBAGLBSA-N 1 1 314.367 0.608 20 5 DCBDMO C[N@@H+](CCCNC(=O)c1cn[nH]n1)Cc1ccc([N+](=O)[O-])cc1 ZINC001689813266 1177070352 /nfs/dbraw/zinc/07/03/52/1177070352.db2.gz IWWHWGJAXWNHOD-UHFFFAOYSA-N 1 1 318.337 0.965 20 5 DCBDMO C[N@H+](CCCNC(=O)c1cnn[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001689813266 1177070356 /nfs/dbraw/zinc/07/03/56/1177070356.db2.gz IWWHWGJAXWNHOD-UHFFFAOYSA-N 1 1 318.337 0.965 20 5 DCBDMO C[N@@H+](CCCNC(=O)c1cnn[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001689813266 1177070359 /nfs/dbraw/zinc/07/03/59/1177070359.db2.gz IWWHWGJAXWNHOD-UHFFFAOYSA-N 1 1 318.337 0.965 20 5 DCBDMO CC(=O)NCC(=O)NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001714955004 1181615696 /nfs/dbraw/zinc/61/56/96/1181615696.db2.gz MCVBGCNDQBFCMO-UHFFFAOYSA-N 1 1 320.349 0.279 20 5 DCBDMO CCn1cc(CC[N@@H+](C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001753853110 1188664644 /nfs/dbraw/zinc/66/46/44/1188664644.db2.gz LPPXFNGLNSKTGM-ZIAGYGMSSA-N 1 1 323.397 0.501 20 5 DCBDMO CCn1cc(CC[N@H+](C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001753853110 1188664646 /nfs/dbraw/zinc/66/46/46/1188664646.db2.gz LPPXFNGLNSKTGM-ZIAGYGMSSA-N 1 1 323.397 0.501 20 5 DCBDMO CCn1cc(CC[N@@H+](C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001753853110 1188664648 /nfs/dbraw/zinc/66/46/48/1188664648.db2.gz LPPXFNGLNSKTGM-ZIAGYGMSSA-N 1 1 323.397 0.501 20 5 DCBDMO C[N@H+]1CCO[C@@H]2CN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])C[C@H]21 ZINC001164671895 719397062 /nfs/dbraw/zinc/39/70/62/719397062.db2.gz ZJQJOOLKTUDQGS-NXEZZACHSA-N 1 1 314.729 0.401 20 5 DCBDMO Cc1nc(CC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001126912273 750114241 /nfs/dbraw/zinc/11/42/41/750114241.db2.gz HFQKKGFTSCIHHI-UHFFFAOYSA-N 1 1 318.337 0.470 20 5 DCBDMO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086083200 759693449 /nfs/dbraw/zinc/69/34/49/759693449.db2.gz QQIHLIUECOUBIP-GJQVQUKXSA-N 1 1 322.340 0.870 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)O[C@H]1C[C@@H]([NH+]2CCOCC2)C1 ZINC001123007162 767913323 /nfs/dbraw/zinc/91/33/23/767913323.db2.gz CBJGOPBQZZVKMG-TXEJJXNPSA-N 1 1 324.337 0.506 20 5 DCBDMO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cnns2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363233 760101466 /nfs/dbraw/zinc/10/14/66/760101466.db2.gz IYYOMYRIVNHTAT-YJFSRANCSA-N 1 1 311.367 0.188 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CCC(F)F ZINC001131403965 763804140 /nfs/dbraw/zinc/80/41/40/763804140.db2.gz KLMVSGBTBPKGTL-UHFFFAOYSA-N 1 1 305.285 0.579 20 5 DCBDMO Cc1c(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)ccn1C ZINC001133491492 764985281 /nfs/dbraw/zinc/98/52/81/764985281.db2.gz GENULGYYRCHNBM-UHFFFAOYSA-N 1 1 320.353 0.495 20 5 DCBDMO CC(C)C1(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001133556589 765017856 /nfs/dbraw/zinc/01/78/56/765017856.db2.gz DTPPLIGTXOZEHF-UHFFFAOYSA-N 1 1 309.370 0.970 20 5 DCBDMO CCN1CC[NH+](CCCNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC001136216744 766261440 /nfs/dbraw/zinc/26/14/40/766261440.db2.gz XPVIMYAMFKXLHZ-UHFFFAOYSA-N 1 1 314.430 0.966 20 5 DCBDMO Cc1[nH+]ccn1CC(=O)NCCNc1ncc([N+](=O)[O-])cc1F ZINC001093642299 768662759 /nfs/dbraw/zinc/66/27/59/768662759.db2.gz VSFUONMOTRAFHZ-UHFFFAOYSA-N 1 1 322.300 0.862 20 5 DCBDMO Cc1cc(C(=O)NCC(=O)NC[C@H]2CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC001178455790 770757835 /nfs/dbraw/zinc/75/78/35/770757835.db2.gz LIVRNGXQQWEOFX-GFCCVEGCSA-N 1 1 320.349 0.453 20 5 DCBDMO O=C(NCCC[NH2+]Cc1noc2c1CCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC001157760305 771664453 /nfs/dbraw/zinc/66/44/53/771664453.db2.gz BEWOBEKXMJSSNM-DGCLKSJQSA-N 1 1 322.365 0.815 20 5 DCBDMO Cc1cc(C)n(CC[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001157767377 771665710 /nfs/dbraw/zinc/66/57/10/771665710.db2.gz LQLAJVKGIBFHCA-CHWSQXEVSA-N 1 1 309.370 0.261 20 5 DCBDMO CC(C)n1ccc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001157775667 771670727 /nfs/dbraw/zinc/67/07/27/771670727.db2.gz VKAKQMWTSHMNRX-CHWSQXEVSA-N 1 1 309.370 0.725 20 5 DCBDMO CSc1nc(Cl)c([N+](=O)[O-])c(-n2cnc(C[NH3+])n2)n1 ZINC001157926653 771694614 /nfs/dbraw/zinc/69/46/14/771694614.db2.gz OGUWPKPLDVJYSJ-UHFFFAOYSA-N 1 1 301.719 0.800 20 5 DCBDMO COc1nc(C)c([N+](=O)[O-])c(N2CC([N@@H+](C)[C@H]3CCOC3)C2)n1 ZINC001158731228 771815830 /nfs/dbraw/zinc/81/58/30/771815830.db2.gz IEBJLHIVMVIHEL-JTQLQIEISA-N 1 1 323.353 0.611 20 5 DCBDMO CNC(=O)C[NH+]1CCC(Nc2ncc(OC)cc2[N+](=O)[O-])CC1 ZINC001161135588 772172756 /nfs/dbraw/zinc/17/27/56/772172756.db2.gz HHCJBRQLEAYNOU-UHFFFAOYSA-N 1 1 323.353 0.621 20 5 DCBDMO Cc1nc(N2CC([C@@H]([NH3+])C(=O)OC(C)(C)C)C2)ncc1[N+](=O)[O-] ZINC001163123381 772468307 /nfs/dbraw/zinc/46/83/07/772468307.db2.gz FJVFTUSJGLQIMD-LLVKDONJSA-N 1 1 323.353 0.798 20 5 DCBDMO Nc1nc(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)ncc1[N+](=O)[O-] ZINC001164303006 772642574 /nfs/dbraw/zinc/64/25/74/772642574.db2.gz NCBNISDBLYUZIE-VHSXEESVSA-N 1 1 308.342 0.002 20 5 DCBDMO O=C(NCCC1(C[NH2+]Cc2cnon2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164495042 772668113 /nfs/dbraw/zinc/66/81/13/772668113.db2.gz ZZERQSBBJKXTOH-GHMZBOCLSA-N 1 1 309.326 0.111 20 5 DCBDMO COc1nc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001165151456 772701458 /nfs/dbraw/zinc/70/14/58/772701458.db2.gz UZCKJFNQNCQFPV-DTORHVGOSA-N 1 1 309.326 0.400 20 5 DCBDMO CN(C)C(=O)[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001195115869 773328295 /nfs/dbraw/zinc/32/82/95/773328295.db2.gz WXLNRTHQWKYDCM-NSHDSACASA-N 1 1 308.338 0.167 20 5 DCBDMO CNC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001195307811 773374187 /nfs/dbraw/zinc/37/41/87/773374187.db2.gz YFLCIDZLTWNLRZ-VXGBXAGGSA-N 1 1 323.349 0.402 20 5 DCBDMO CC[N@@H+](C)[C@H]1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC001214102680 773926445 /nfs/dbraw/zinc/92/64/45/773926445.db2.gz FEDBDORYMSSEHD-JTQLQIEISA-N 1 1 314.367 0.705 20 5 DCBDMO COCC[NH+]1CCC(Oc2nc(C)[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001229380860 776186154 /nfs/dbraw/zinc/18/61/54/776186154.db2.gz MCGVXTNBAMMDBA-UHFFFAOYSA-N 1 1 312.326 0.888 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N(CCO)CC[NH2+]CCC(F)(F)F ZINC001272162023 941760106 /nfs/dbraw/zinc/76/01/06/941760106.db2.gz FGCAXWLTSHMUTI-RKDXNWHRSA-N 1 1 313.276 0.015 20 5 DCBDMO CN(CC[NH2+]Cc1cnn(C(C)(C)C)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001493544903 942641085 /nfs/dbraw/zinc/64/10/85/942641085.db2.gz JQLJCTSGIYNPBE-CHWSQXEVSA-N 1 1 323.397 0.851 20 5 DCBDMO O=C(NCC1([NH2+]CCc2ccns2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001484634577 943482879 /nfs/dbraw/zinc/48/28/79/943482879.db2.gz NJHQRIWZIVWBOL-VXGBXAGGSA-N 1 1 324.406 0.979 20 5 DCBDMO COC(=O)[C@H]1C[N@H+](C)CCN1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254605407 946415021 /nfs/dbraw/zinc/41/50/21/946415021.db2.gz BVYTUAHQOBKBEJ-LSDHHAIUSA-N 1 1 319.361 0.851 20 5 DCBDMO COC(=O)[C@H]1C[N@@H+](C)CCN1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254605407 946415024 /nfs/dbraw/zinc/41/50/24/946415024.db2.gz BVYTUAHQOBKBEJ-LSDHHAIUSA-N 1 1 319.361 0.851 20 5 DCBDMO CC[N@H+]1CCC[C@H](CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001322846390 946834240 /nfs/dbraw/zinc/83/42/40/946834240.db2.gz QMHPFGOAJUFFEM-GFCCVEGCSA-N 1 1 322.365 0.605 20 5 DCBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001299563502 946928046 /nfs/dbraw/zinc/92/80/46/946928046.db2.gz MGGMICIUIBCSKE-QWRGUYRKSA-N 1 1 322.365 0.704 20 5 DCBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001299563502 946928055 /nfs/dbraw/zinc/92/80/55/946928055.db2.gz MGGMICIUIBCSKE-QWRGUYRKSA-N 1 1 322.365 0.704 20 5 DCBDMO CCOC(=O)[C@@H]1C[NH2+]CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC001326539374 948193769 /nfs/dbraw/zinc/19/37/69/948193769.db2.gz NIBBMPJGYXQTBX-ZDUSSCGKSA-N 1 1 309.322 0.637 20 5 DCBDMO COCCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001330487330 950448941 /nfs/dbraw/zinc/44/89/41/950448941.db2.gz WHUOXOUQZDGNTM-CHWSQXEVSA-N 1 1 311.382 0.613 20 5 DCBDMO COCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001330487330 950448952 /nfs/dbraw/zinc/44/89/52/950448952.db2.gz WHUOXOUQZDGNTM-CHWSQXEVSA-N 1 1 311.382 0.613 20 5 DCBDMO COCCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001330487330 950448966 /nfs/dbraw/zinc/44/89/66/950448966.db2.gz WHUOXOUQZDGNTM-CHWSQXEVSA-N 1 1 311.382 0.613 20 5 DCBDMO CCn1c(CCC[N+](=O)[O-])nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001340886639 953201930 /nfs/dbraw/zinc/20/19/30/953201930.db2.gz WHQITDVNRTWEQJ-LBPRGKRZSA-N 1 1 324.385 0.028 20 5 DCBDMO CCn1c(CCC[N+](=O)[O-])nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001340886639 953201932 /nfs/dbraw/zinc/20/19/32/953201932.db2.gz WHQITDVNRTWEQJ-LBPRGKRZSA-N 1 1 324.385 0.028 20 5 DCBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1c([N+](=O)[O-])cnn1C ZINC001342863175 953311719 /nfs/dbraw/zinc/31/17/19/953311719.db2.gz GRGUWVKIBROVDH-NSHDSACASA-N 1 1 324.385 0.683 20 5 DCBDMO COc1ccc(NC(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)cc1[N+](=O)[O-] ZINC001346532701 953913719 /nfs/dbraw/zinc/91/37/19/953913719.db2.gz USJAFPACSCAAHQ-ZWNOBZJWSA-N 1 1 320.349 0.930 20 5 DCBDMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001346567637 953920309 /nfs/dbraw/zinc/92/03/09/953920309.db2.gz YSWUQINAUIJPHZ-ABAIWWIYSA-N 1 1 316.361 0.825 20 5 DCBDMO Cn1cc(CC[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC001283041398 953946864 /nfs/dbraw/zinc/94/68/64/953946864.db2.gz NBVBXKQWIFPUSW-AAVRWANBSA-N 1 1 321.381 0.112 20 5 DCBDMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001347519068 954109801 /nfs/dbraw/zinc/10/98/01/954109801.db2.gz ZSGVBQIULIQOHI-RISCZKNCSA-N 1 1 304.350 0.599 20 5 DCBDMO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC001348695584 954431798 /nfs/dbraw/zinc/43/17/98/954431798.db2.gz DXWAHXQOHUPRAT-LLVKDONJSA-N 1 1 306.322 0.662 20 5 DCBDMO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nnnn1C ZINC001353230578 955984504 /nfs/dbraw/zinc/98/45/04/955984504.db2.gz DAMHNZYXSDIIFY-VHSXEESVSA-N 1 1 322.325 0.209 20 5 DCBDMO C[C@@H](c1nnc(N2CC[NH+]([C@H]3CCOC3)CC2)n1C)[N+](=O)[O-] ZINC001355415611 956646326 /nfs/dbraw/zinc/64/63/26/956646326.db2.gz KOHHEZDDRCPRDN-QWRGUYRKSA-N 1 1 310.358 0.064 20 5 DCBDMO C[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCN1C ZINC001293743925 957422482 /nfs/dbraw/zinc/42/24/82/957422482.db2.gz FPFKVPCNAPNOHO-YGRLFVJLSA-N 1 1 321.381 0.541 20 5 DCBDMO CNC(=O)C[NH+]1CCC(NC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC001463979251 1013185555 /nfs/dbraw/zinc/18/55/55/1013185555.db2.gz PXTTWMKDAOLKQU-UHFFFAOYSA-N 1 1 314.386 0.149 20 5 DCBDMO O=C(Cc1ccccc1[N+](=O)[O-])N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001303186560 960040818 /nfs/dbraw/zinc/04/08/18/960040818.db2.gz JCWKWNRSQFOQGZ-UONOGXRCSA-N 1 1 319.361 0.805 20 5 DCBDMO C[C@H]1[C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC001303798405 960063299 /nfs/dbraw/zinc/06/32/99/960063299.db2.gz AUFDGDCFCQMSSQ-GXFFZTMASA-N 1 1 320.349 0.533 20 5 DCBDMO O=C(NCCO)C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC001307972285 960165137 /nfs/dbraw/zinc/16/51/37/960165137.db2.gz OSLBNNRQRYAVMR-UHFFFAOYSA-N 1 1 308.338 0.310 20 5 DCBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@H](CO)[C@@H](CCO)C3)nc2c1 ZINC001308164743 960171641 /nfs/dbraw/zinc/17/16/41/960171641.db2.gz VIXSCMOVYCUMBZ-WDEREUQCSA-N 1 1 320.349 0.894 20 5 DCBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3C[C@H](CO)[C@@H](CCO)C3)nc2c1 ZINC001308164743 960171648 /nfs/dbraw/zinc/17/16/48/960171648.db2.gz VIXSCMOVYCUMBZ-WDEREUQCSA-N 1 1 320.349 0.894 20 5 DCBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@H]1C[N@@H+](C)CCN1C ZINC001465293012 1015993423 /nfs/dbraw/zinc/99/34/23/1015993423.db2.gz GKXCVLOZESSJIQ-QMTHXVAHSA-N 1 1 321.381 0.541 20 5 DCBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC001466097533 1016050847 /nfs/dbraw/zinc/05/08/47/1016050847.db2.gz KZUMKQNRZHCVAM-NSHDSACASA-N 1 1 323.353 0.250 20 5 DCBDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H]1C ZINC001466481236 1016082296 /nfs/dbraw/zinc/08/22/96/1016082296.db2.gz XTRZZABDNIZRNG-SNVBAGLBSA-N 1 1 324.337 0.632 20 5 DCBDMO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H]1C ZINC001466481236 1016082305 /nfs/dbraw/zinc/08/23/05/1016082305.db2.gz XTRZZABDNIZRNG-SNVBAGLBSA-N 1 1 324.337 0.632 20 5 DCBDMO Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC001468316456 1016243801 /nfs/dbraw/zinc/24/38/01/1016243801.db2.gz LWMAHNMCELSSMQ-LBPRGKRZSA-N 1 1 322.365 0.754 20 5 DCBDMO Cn1cc(C[N@@H+]2CC[C@@H](c3cc(=O)[nH]c(=O)[nH]3)C2)c([N+](=O)[O-])n1 ZINC001473602643 1016955544 /nfs/dbraw/zinc/95/55/44/1016955544.db2.gz TYBZAXASKKVZOF-MRVPVSSYSA-N 1 1 320.309 0.519 20 5 DCBDMO Cn1cc(C[N@H+]2CC[C@@H](c3cc(=O)[nH]c(=O)[nH]3)C2)c([N+](=O)[O-])n1 ZINC001473602643 1016955554 /nfs/dbraw/zinc/95/55/54/1016955554.db2.gz TYBZAXASKKVZOF-MRVPVSSYSA-N 1 1 320.309 0.519 20 5 DCBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001454580736 1009205419 /nfs/dbraw/zinc/20/54/19/1009205419.db2.gz WVRXHSACLYSYHA-SNVBAGLBSA-N 1 1 311.313 0.839 20 5 DCBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC001454607753 1009224196 /nfs/dbraw/zinc/22/41/96/1009224196.db2.gz DOCWSZZCNIOVMT-JTQLQIEISA-N 1 1 322.365 0.752 20 5 DCBDMO C[N@@H+](CCCCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C1CC1 ZINC001556937901 1012240927 /nfs/dbraw/zinc/24/09/27/1012240927.db2.gz HOIMIRJINHRNAM-UHFFFAOYSA-N 1 1 322.365 0.747 20 5 DCBDMO CC[C@H]1C[N@@H+](CC)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001559835116 1012429782 /nfs/dbraw/zinc/42/97/82/1012429782.db2.gz AKLDROZSRBPYMP-GXTWGEPZSA-N 1 1 311.386 0.568 20 5 DCBDMO CC[C@H]1CN(CC)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001559835116 1012429793 /nfs/dbraw/zinc/42/97/93/1012429793.db2.gz AKLDROZSRBPYMP-GXTWGEPZSA-N 1 1 311.386 0.568 20 5 DCBDMO CC[C@H]1CN(CC)CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001559835116 1012429801 /nfs/dbraw/zinc/42/98/01/1012429801.db2.gz AKLDROZSRBPYMP-GXTWGEPZSA-N 1 1 311.386 0.568 20 5 DCBDMO CC(C)(O)C[C@@H](O)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001559889840 1012435867 /nfs/dbraw/zinc/43/58/67/1012435867.db2.gz XRZBDJCZFIFCLW-GFCCVEGCSA-N 1 1 324.381 0.634 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC001559848881 1012436479 /nfs/dbraw/zinc/43/64/79/1012436479.db2.gz FTHUEOVKKBDLPH-LBPRGKRZSA-N 1 1 303.265 0.458 20 5 DCBDMO Nc1ncc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC001543013669 1012497384 /nfs/dbraw/zinc/49/73/84/1012497384.db2.gz SIQZKAWSUJNHRF-MNOVXSKESA-N 1 1 305.338 0.929 20 5 DCBDMO COC(=O)[C@@]1(O)CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001460693924 1012950643 /nfs/dbraw/zinc/95/06/43/1012950643.db2.gz NKFPSPNRBFOMDF-TZMCWYRMSA-N 1 1 310.306 0.238 20 5 DCBDMO COC(=O)[C@@]1(O)CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001460693924 1012950650 /nfs/dbraw/zinc/95/06/50/1012950650.db2.gz NKFPSPNRBFOMDF-TZMCWYRMSA-N 1 1 310.306 0.238 20 5 DCBDMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001521286170 1017345301 /nfs/dbraw/zinc/34/53/01/1017345301.db2.gz FCOBAZZBSOKSBS-DOMZBBRYSA-N 1 1 318.377 0.642 20 5 DCBDMO Cc1ncsc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001497583428 1018247796 /nfs/dbraw/zinc/24/77/96/1018247796.db2.gz MTTTWGCDRVLONJ-LVUHIJSRSA-N 1 1 310.379 0.879 20 5 DCBDMO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[NH+](CCO)CC1 ZINC000096622452 185384577 /nfs/dbraw/zinc/38/45/77/185384577.db2.gz OUMMSTWOQFTUIY-AATRIKPKSA-N 1 1 305.334 0.745 20 5 DCBDMO C[C@@H]1C[N@@H+](C)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000330789400 232069709 /nfs/dbraw/zinc/06/97/09/232069709.db2.gz BFKLTQVDTZPDEB-OLZOCXBDSA-N 1 1 309.366 0.970 20 5 DCBDMO C[C@@H]1CN(C)CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000330789400 232069712 /nfs/dbraw/zinc/06/97/12/232069712.db2.gz BFKLTQVDTZPDEB-OLZOCXBDSA-N 1 1 309.366 0.970 20 5 DCBDMO C[C@@H]1CN(C)CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000330789400 232069715 /nfs/dbraw/zinc/06/97/15/232069715.db2.gz BFKLTQVDTZPDEB-OLZOCXBDSA-N 1 1 309.366 0.970 20 5 DCBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000330859332 232118558 /nfs/dbraw/zinc/11/85/58/232118558.db2.gz RFUARFQSYNWHST-BXKDBHETSA-N 1 1 307.354 0.984 20 5 DCBDMO C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1=CC[N@@H+](C)CC1 ZINC000272732821 210137953 /nfs/dbraw/zinc/13/79/53/210137953.db2.gz BYNJJAOASUKWPV-LLVKDONJSA-N 1 1 320.349 0.523 20 5 DCBDMO COCC[N@H+]1CC[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000272662168 210066952 /nfs/dbraw/zinc/06/69/52/210066952.db2.gz IBGQMTDRVRLXFF-JTQLQIEISA-N 1 1 309.326 0.832 20 5 DCBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000331382927 233245677 /nfs/dbraw/zinc/24/56/77/233245677.db2.gz JNBWUZLFIAVGOA-SNVBAGLBSA-N 1 1 306.322 0.109 20 5 DCBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000174628678 198362169 /nfs/dbraw/zinc/36/21/69/198362169.db2.gz YFKJUIXFESRRRB-NWDGAFQWSA-N 1 1 320.349 0.452 20 5 DCBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179549272 199053043 /nfs/dbraw/zinc/05/30/43/199053043.db2.gz FIXQEYDUBFMKJT-JTQLQIEISA-N 1 1 309.326 0.112 20 5 DCBDMO C[N@H+]1CC[C@@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000264182358 203748937 /nfs/dbraw/zinc/74/89/37/203748937.db2.gz ZGLFPVSILVTQTI-VIFPVBQESA-N 1 1 314.367 0.606 20 5 DCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000264789319 204156341 /nfs/dbraw/zinc/15/63/41/204156341.db2.gz UCXXSCOUYUYVFZ-SBJJXXPASA-N 1 1 318.377 0.970 20 5 DCBDMO C[N@H+]1CCC[C@@H]1CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000264844014 204202290 /nfs/dbraw/zinc/20/22/90/204202290.db2.gz BAUPWRPZFKJAAY-GFCCVEGCSA-N 1 1 321.333 0.997 20 5 DCBDMO CC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000282482091 217028340 /nfs/dbraw/zinc/02/83/40/217028340.db2.gz VLGPPHXJFCBPJY-OCCSQVGLSA-N 1 1 323.349 0.545 20 5 DCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C1(CO)CC1 ZINC000285564535 131181369 /nfs/dbraw/zinc/18/13/69/131181369.db2.gz RWLMHVWDGXYYHN-UHFFFAOYSA-N 1 1 309.322 0.999 20 5 DCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C1(CO)CC1 ZINC000285564535 131181371 /nfs/dbraw/zinc/18/13/71/131181371.db2.gz RWLMHVWDGXYYHN-UHFFFAOYSA-N 1 1 309.322 0.999 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000193572976 395772110 /nfs/dbraw/zinc/77/21/10/395772110.db2.gz BLAWIBZJQAHLDB-OTYXRUKQSA-N 1 1 320.349 0.956 20 5 DCBDMO C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000118105417 395858800 /nfs/dbraw/zinc/85/88/00/395858800.db2.gz WYRKZCAOCYDASA-GFCCVEGCSA-N 1 1 306.322 0.744 20 5 DCBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195230173 395821819 /nfs/dbraw/zinc/82/18/19/395821819.db2.gz ZTKGLCJAGXIKCP-DTORHVGOSA-N 1 1 301.306 0.763 20 5 DCBDMO CCC[C@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CC[N@H+]1CCOC ZINC000270954592 395826345 /nfs/dbraw/zinc/82/63/45/395826345.db2.gz MQLNIVJOPHKZEL-NSHDSACASA-N 1 1 324.385 0.904 20 5 DCBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@@H]2C1 ZINC000272551478 395899253 /nfs/dbraw/zinc/89/92/53/395899253.db2.gz CYYYEMGSFHZHHX-WCQYABFASA-N 1 1 320.349 0.309 20 5 DCBDMO C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1C[N@H+](C)CCO1 ZINC000119176580 395868047 /nfs/dbraw/zinc/86/80/47/395868047.db2.gz KDXBNSJZWGBXHT-CMPLNLGQSA-N 1 1 311.342 0.017 20 5 DCBDMO C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1C[N@@H+](C)CCO1 ZINC000119176580 395868052 /nfs/dbraw/zinc/86/80/52/395868052.db2.gz KDXBNSJZWGBXHT-CMPLNLGQSA-N 1 1 311.342 0.017 20 5 DCBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC(F)(F)C[NH3+] ZINC000162649623 396083323 /nfs/dbraw/zinc/08/33/23/396083323.db2.gz ZOWOFYGWSWGMGE-UHFFFAOYSA-N 1 1 309.294 0.776 20 5 DCBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000177756741 396181897 /nfs/dbraw/zinc/18/18/97/396181897.db2.gz KAHAUZJZPVMFRL-NEPJUHHUSA-N 1 1 307.354 0.877 20 5 DCBDMO CC(C)(C)C[N@@H+](CCO)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075718171 396186115 /nfs/dbraw/zinc/18/61/15/396186115.db2.gz HTRISPTVMVJGIE-GFCCVEGCSA-N 1 1 300.359 0.493 20 5 DCBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)C[NH+]1CCOCC1 ZINC000265659123 396334714 /nfs/dbraw/zinc/33/47/14/396334714.db2.gz AONZPJKTFBOEOS-JTQLQIEISA-N 1 1 324.337 0.394 20 5 DCBDMO C[C@@H](O)C[NH+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000186827924 396359212 /nfs/dbraw/zinc/35/92/12/396359212.db2.gz FMKCDMIRXJJRIJ-GFCCVEGCSA-N 1 1 322.365 0.532 20 5 DCBDMO CC[N@@H+](CCO)CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000187235076 396365315 /nfs/dbraw/zinc/36/53/15/396365315.db2.gz WNWUEHHYVLRKTK-UHFFFAOYSA-N 1 1 310.354 0.708 20 5 DCBDMO NC(=O)c1ccnc(N2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000290667839 396469318 /nfs/dbraw/zinc/46/93/18/396469318.db2.gz QTSOIIXAIRTKMR-UHFFFAOYSA-N 1 1 305.338 0.763 20 5 DCBDMO C[C@@H](O)C[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000291235896 396481522 /nfs/dbraw/zinc/48/15/22/396481522.db2.gz MRDNAHGAMIKLRC-MRVPVSSYSA-N 1 1 311.294 0.575 20 5 DCBDMO C[C@@H](O)C[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000291235896 396481523 /nfs/dbraw/zinc/48/15/23/396481523.db2.gz MRDNAHGAMIKLRC-MRVPVSSYSA-N 1 1 311.294 0.575 20 5 DCBDMO NC(=O)C1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCOCC1 ZINC000595729919 396652928 /nfs/dbraw/zinc/65/29/28/396652928.db2.gz WUQRAUPHVICSGT-UHFFFAOYSA-N 1 1 319.321 0.595 20 5 DCBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](N3CCOCC3)CC2)n1 ZINC000595471371 396613484 /nfs/dbraw/zinc/61/34/84/396613484.db2.gz ZYBPQVADGWFZOC-CQSZACIVSA-N 1 1 323.397 0.978 20 5 DCBDMO Cc1ccc(C[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1[N+](=O)[O-] ZINC000373967079 396626922 /nfs/dbraw/zinc/62/69/22/396626922.db2.gz DLSOSGNRJYJFKF-JSGCOSHPSA-N 1 1 305.334 0.993 20 5 DCBDMO Cc1ccc(C[N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1[N+](=O)[O-] ZINC000373967079 396626925 /nfs/dbraw/zinc/62/69/25/396626925.db2.gz DLSOSGNRJYJFKF-JSGCOSHPSA-N 1 1 305.334 0.993 20 5 DCBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000586757893 396663092 /nfs/dbraw/zinc/66/30/92/396663092.db2.gz ZLASTOBENYGNGA-LLVKDONJSA-N 1 1 323.353 0.645 20 5 DCBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588862531 396696000 /nfs/dbraw/zinc/69/60/00/396696000.db2.gz DGFCYAILJCNCAJ-GJZGRUSLSA-N 1 1 319.361 0.805 20 5 DCBDMO COCC(COC)[NH+]1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000591185438 396884554 /nfs/dbraw/zinc/88/45/54/396884554.db2.gz AUXXLMUQPLKECV-UHFFFAOYSA-N 1 1 310.354 0.773 20 5 DCBDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000592206261 397129062 /nfs/dbraw/zinc/12/90/62/397129062.db2.gz YMOIWOUCJQLPNB-NEPJUHHUSA-N 1 1 324.333 0.829 20 5 DCBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[N@H+](C)C1 ZINC000619478148 397136931 /nfs/dbraw/zinc/13/69/31/397136931.db2.gz KLUWEDXJNASCLL-SECBINFHSA-N 1 1 315.351 0.586 20 5 DCBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[N@@H+](C)C1 ZINC000619478148 397136937 /nfs/dbraw/zinc/13/69/37/397136937.db2.gz KLUWEDXJNASCLL-SECBINFHSA-N 1 1 315.351 0.586 20 5 DCBDMO C[N@@H+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)[C@@H](CO)C1 ZINC000601979238 397280351 /nfs/dbraw/zinc/28/03/51/397280351.db2.gz BHNMDDZNHGEIDW-MRVPVSSYSA-N 1 1 309.351 0.712 20 5 DCBDMO C[N@H+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)[C@@H](CO)C1 ZINC000601979238 397280354 /nfs/dbraw/zinc/28/03/54/397280354.db2.gz BHNMDDZNHGEIDW-MRVPVSSYSA-N 1 1 309.351 0.712 20 5 DCBDMO Cc1cc(S(=O)(=O)NC[C@H]2COCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000599106959 397339255 /nfs/dbraw/zinc/33/92/55/397339255.db2.gz JGQZQPVNQWTFCW-JTQLQIEISA-N 1 1 315.351 0.170 20 5 DCBDMO COC(=O)c1cnc(NCC[N@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000599199403 397360872 /nfs/dbraw/zinc/36/08/72/397360872.db2.gz JPRBADKTSUUELZ-JTQLQIEISA-N 1 1 310.310 0.255 20 5 DCBDMO COc1cc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c(F)cc1[N+](=O)[O-] ZINC000593504867 397377040 /nfs/dbraw/zinc/37/70/40/397377040.db2.gz RVZOASZJWJEIGI-SNVBAGLBSA-N 1 1 311.313 0.998 20 5 DCBDMO COc1cc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c(F)cc1[N+](=O)[O-] ZINC000593504867 397377043 /nfs/dbraw/zinc/37/70/43/397377043.db2.gz RVZOASZJWJEIGI-SNVBAGLBSA-N 1 1 311.313 0.998 20 5 DCBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593854900 397456110 /nfs/dbraw/zinc/45/61/10/397456110.db2.gz MJFIBPPSWPLORS-CQSZACIVSA-N 1 1 305.334 0.415 20 5 DCBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593854900 397456112 /nfs/dbraw/zinc/45/61/12/397456112.db2.gz MJFIBPPSWPLORS-CQSZACIVSA-N 1 1 305.334 0.415 20 5 DCBDMO O=[N+]([O-])c1cc(C[NH+]2C[C@@H](CO)[C@H](CO)C2)c2c(c1)COCO2 ZINC000599531506 397465508 /nfs/dbraw/zinc/46/55/08/397465508.db2.gz ZPFZVTCHTLRENW-STQMWFEESA-N 1 1 324.333 0.494 20 5 DCBDMO C[C@@H](C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000593857054 397457494 /nfs/dbraw/zinc/45/74/94/397457494.db2.gz RTUJFLGTYCMWKY-IAQYHMDHSA-N 1 1 319.361 0.976 20 5 DCBDMO C[C@@H](C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000593857054 397457497 /nfs/dbraw/zinc/45/74/97/397457497.db2.gz RTUJFLGTYCMWKY-IAQYHMDHSA-N 1 1 319.361 0.976 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000602779409 397482528 /nfs/dbraw/zinc/48/25/28/397482528.db2.gz GAVGKXSXPNBXLB-CQSZACIVSA-N 1 1 323.397 0.896 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCc3c(O)cccc3C2)c1 ZINC000599644905 397493267 /nfs/dbraw/zinc/49/32/67/397493267.db2.gz AOWIUISQWHIEDX-ZDUSSCGKSA-N 1 1 318.333 0.916 20 5 DCBDMO CCc1n[nH]c(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599936777 397544504 /nfs/dbraw/zinc/54/45/04/397544504.db2.gz BWJIKYCASUUSRR-VHSXEESVSA-N 1 1 323.353 0.161 20 5 DCBDMO CCc1n[nH]c(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599936777 397544509 /nfs/dbraw/zinc/54/45/09/397544509.db2.gz BWJIKYCASUUSRR-VHSXEESVSA-N 1 1 323.353 0.161 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000599939265 397546160 /nfs/dbraw/zinc/54/61/60/397546160.db2.gz UQVDETFDWKDDJY-CMPLNLGQSA-N 1 1 308.338 0.214 20 5 DCBDMO O=C(C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCC1 ZINC000610391340 397816633 /nfs/dbraw/zinc/81/66/33/397816633.db2.gz RMZFWWYOYFUPLQ-LLVKDONJSA-N 1 1 305.338 0.708 20 5 DCBDMO O=C(C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCC1 ZINC000610391340 397816636 /nfs/dbraw/zinc/81/66/36/397816636.db2.gz RMZFWWYOYFUPLQ-LLVKDONJSA-N 1 1 305.338 0.708 20 5 DCBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000128547583 158281296 /nfs/dbraw/zinc/28/12/96/158281296.db2.gz FCPGEMGDARGOKX-WDEREUQCSA-N 1 1 310.358 0.423 20 5 DCBDMO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000319239843 159007306 /nfs/dbraw/zinc/00/73/06/159007306.db2.gz XEXJTVXZQCTTJU-LLVKDONJSA-N 1 1 310.329 0.710 20 5 DCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000319239843 159007309 /nfs/dbraw/zinc/00/73/09/159007309.db2.gz XEXJTVXZQCTTJU-LLVKDONJSA-N 1 1 310.329 0.710 20 5 DCBDMO CC[N@H+]1C[C@H](C)N(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000330588477 159198672 /nfs/dbraw/zinc/19/86/72/159198672.db2.gz UEDCRTRZWWYGCB-DYEKYZERSA-N 1 1 311.386 0.567 20 5 DCBDMO CCN1C[C@H](C)[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000330588477 159198673 /nfs/dbraw/zinc/19/86/73/159198673.db2.gz UEDCRTRZWWYGCB-DYEKYZERSA-N 1 1 311.386 0.567 20 5 DCBDMO CCN1C[C@H](C)[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000330588477 159198676 /nfs/dbraw/zinc/19/86/76/159198676.db2.gz UEDCRTRZWWYGCB-DYEKYZERSA-N 1 1 311.386 0.567 20 5 DCBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000330593043 159198976 /nfs/dbraw/zinc/19/89/76/159198976.db2.gz AFGRHQZAYMXXHF-UHFFFAOYSA-N 1 1 310.358 0.027 20 5 DCBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1ccncc1[N+](=O)[O-] ZINC000367908552 159364100 /nfs/dbraw/zinc/36/41/00/159364100.db2.gz VWACOKJURKVNQG-GHMZBOCLSA-N 1 1 321.337 0.396 20 5 DCBDMO CCOC[C@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246462094 287084059 /nfs/dbraw/zinc/08/40/59/287084059.db2.gz FMPJSDJCFHMIDB-DGCLKSJQSA-N 1 1 310.354 0.873 20 5 DCBDMO COCC[N@H+]1CCCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000331670303 415180789 /nfs/dbraw/zinc/18/07/89/415180789.db2.gz RSARTCBYFIHXEJ-UHFFFAOYSA-N 1 1 311.342 0.123 20 5 DCBDMO CC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000342584887 415217033 /nfs/dbraw/zinc/21/70/33/415217033.db2.gz XORXSHSFLNIPRV-LLVKDONJSA-N 1 1 320.349 0.991 20 5 DCBDMO Cc1cc[nH+]c(N2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)c1 ZINC000332425885 415397291 /nfs/dbraw/zinc/39/72/91/415397291.db2.gz TYJOQQSXVGKQHR-UHFFFAOYSA-N 1 1 316.321 0.984 20 5 DCBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000354009371 415714988 /nfs/dbraw/zinc/71/49/88/415714988.db2.gz VFVXGWGDIGQBOZ-LLVKDONJSA-N 1 1 308.338 0.309 20 5 DCBDMO C[C@H]1[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)CCC[N@H+]1C ZINC000343887363 415764424 /nfs/dbraw/zinc/76/44/24/415764424.db2.gz FVXGUAQFSAFGEW-JQWIXIFHSA-N 1 1 310.358 0.573 20 5 DCBDMO C[C@@H]1[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)CCC[N@H+]1C ZINC000343887989 415769280 /nfs/dbraw/zinc/76/92/80/415769280.db2.gz FVXGUAQFSAFGEW-ZYHUDNBSSA-N 1 1 310.358 0.573 20 5 DCBDMO CO[C@H]1COC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000290232949 415778150 /nfs/dbraw/zinc/77/81/50/415778150.db2.gz YECMYWVUNITUOM-GAFUQQFSSA-N 1 1 309.322 0.925 20 5 DCBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000356739785 415979998 /nfs/dbraw/zinc/97/99/98/415979998.db2.gz KEQSTNRFXCRPIY-NSHDSACASA-N 1 1 310.354 0.601 20 5 DCBDMO Cc1nn(C)c(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1[N+](=O)[O-] ZINC000301299412 416079542 /nfs/dbraw/zinc/07/95/42/416079542.db2.gz QJOPDRSDLVCZRI-CYBMUJFWSA-N 1 1 322.413 0.853 20 5 DCBDMO CNC(=O)[C@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000299088891 416050469 /nfs/dbraw/zinc/05/04/69/416050469.db2.gz LCZWKKNGIXHHSY-GXTWGEPZSA-N 1 1 323.349 0.545 20 5 DCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000357256896 416054844 /nfs/dbraw/zinc/05/48/44/416054844.db2.gz PHDAISDHYKPAPY-ZDUSSCGKSA-N 1 1 324.356 0.638 20 5 DCBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000299147176 416055084 /nfs/dbraw/zinc/05/50/84/416055084.db2.gz WOEFGOCWLQIHCT-OLZOCXBDSA-N 1 1 307.354 0.924 20 5 DCBDMO COC(=O)CNC(=O)[C@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338363736 416085051 /nfs/dbraw/zinc/08/50/51/416085051.db2.gz WVZIAKRZGWBHKU-NSHDSACASA-N 1 1 323.349 0.747 20 5 DCBDMO CN1CCN(C)[C@H](CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347410288 416218833 /nfs/dbraw/zinc/21/88/33/416218833.db2.gz FZHFHDIXQVUREI-LLVKDONJSA-N 1 1 316.365 1.196 20 5 DCBDMO C[N@H+]1CC[C@@](O)(CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000358306731 416221848 /nfs/dbraw/zinc/22/18/48/416221848.db2.gz HXACPCOPRIXQTD-CQSZACIVSA-N 1 1 303.322 1.017 20 5 DCBDMO O=C1C[C@]2(CN1)CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000341678072 416223142 /nfs/dbraw/zinc/22/31/42/416223142.db2.gz WNCKXFCLBMVMLJ-HNNXBMFYSA-N 1 1 320.349 0.359 20 5 DCBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000183456773 416242593 /nfs/dbraw/zinc/24/25/93/416242593.db2.gz FCQXVZBOIQGYMI-SECBINFHSA-N 1 1 305.338 0.786 20 5 DCBDMO C[C@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000261628924 416335610 /nfs/dbraw/zinc/33/56/10/416335610.db2.gz BAKFETVZNIRQPA-QMMMGPOBSA-N 1 1 303.315 0.716 20 5 DCBDMO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@]1(CO)CCOC1 ZINC000359810139 416360269 /nfs/dbraw/zinc/36/02/69/416360269.db2.gz ONQRDUUXGSWHLJ-AWEZNQCLSA-N 1 1 309.322 0.277 20 5 DCBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@]1(CO)CCOC1 ZINC000359810139 416360272 /nfs/dbraw/zinc/36/02/72/416360272.db2.gz ONQRDUUXGSWHLJ-AWEZNQCLSA-N 1 1 309.322 0.277 20 5 DCBDMO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@]1(CO)CCOC1 ZINC000359810142 416360380 /nfs/dbraw/zinc/36/03/80/416360380.db2.gz ONQRDUUXGSWHLJ-CQSZACIVSA-N 1 1 309.322 0.277 20 5 DCBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@]1(CO)CCOC1 ZINC000359810142 416360381 /nfs/dbraw/zinc/36/03/81/416360381.db2.gz ONQRDUUXGSWHLJ-CQSZACIVSA-N 1 1 309.322 0.277 20 5 DCBDMO CC[C@@](C)([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(N)=O ZINC000428771400 287331020 /nfs/dbraw/zinc/33/10/20/287331020.db2.gz YEMYBCKHQPXUKN-CQSZACIVSA-N 1 1 324.337 0.786 20 5 DCBDMO CNc1nccc(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000584359494 416514253 /nfs/dbraw/zinc/51/42/53/416514253.db2.gz DTIHNWZZNWMTFZ-VHSXEESVSA-N 1 1 319.365 1.387 20 5 DCBDMO NC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CC[NH2+]1 ZINC000368677670 416681598 /nfs/dbraw/zinc/68/15/98/416681598.db2.gz KBOMPWVZOBTMAQ-NSHDSACASA-N 1 1 301.306 0.407 20 5 DCBDMO CC(C)OCCC[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441470165 416674249 /nfs/dbraw/zinc/67/42/49/416674249.db2.gz UANZVPGLWYZWPQ-CYBMUJFWSA-N 1 1 300.359 0.899 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H](n3ccnn3)C2)c1 ZINC000425505743 416711118 /nfs/dbraw/zinc/71/11/18/416711118.db2.gz ZBZLVWBSNJJTTC-WCQYABFASA-N 1 1 321.341 0.081 20 5 DCBDMO CN1CCC([N@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])c(N)n3)C2)CC1 ZINC000369265343 416738283 /nfs/dbraw/zinc/73/82/83/416738283.db2.gz FWRPTPWFFGRURQ-JTQLQIEISA-N 1 1 321.385 0.547 20 5 DCBDMO C[NH+]1CCC(N2CC[C@H](Nc3ncc([N+](=O)[O-])c(N)n3)C2)CC1 ZINC000369265343 416738288 /nfs/dbraw/zinc/73/82/88/416738288.db2.gz FWRPTPWFFGRURQ-JTQLQIEISA-N 1 1 321.385 0.547 20 5 DCBDMO NS(=O)(=O)c1ccc(NCC[NH+]2CCC2)c([N+](=O)[O-])c1 ZINC000443890406 416790807 /nfs/dbraw/zinc/79/08/07/416790807.db2.gz VHECBWPEGJEKQM-UHFFFAOYSA-N 1 1 300.340 0.360 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000519745615 416934648 /nfs/dbraw/zinc/93/46/48/416934648.db2.gz RHIKPBFEPCRBIV-LLVKDONJSA-N 1 1 310.354 0.510 20 5 DCBDMO COC(=O)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+](C)C1 ZINC000413923627 417250891 /nfs/dbraw/zinc/25/08/91/417250891.db2.gz RMZCATOOABAXSD-GFCCVEGCSA-N 1 1 321.333 0.772 20 5 DCBDMO COC(=O)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C)C1 ZINC000413923627 417250900 /nfs/dbraw/zinc/25/09/00/417250900.db2.gz RMZCATOOABAXSD-GFCCVEGCSA-N 1 1 321.333 0.772 20 5 DCBDMO Cc1nn(C)c(N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000302519498 230282397 /nfs/dbraw/zinc/28/23/97/230282397.db2.gz WVPDFJRBIPKEDQ-JTQLQIEISA-N 1 1 311.386 0.918 20 5 DCBDMO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CC[NH+](CCO)CC1 ZINC000229860009 261153856 /nfs/dbraw/zinc/15/38/56/261153856.db2.gz OUMMSTWOQFTUIY-WAYWQWQTSA-N 1 1 305.334 0.745 20 5 DCBDMO C[C@@H](O)C[N@@H+](C)C1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000355934541 261376959 /nfs/dbraw/zinc/37/69/59/261376959.db2.gz SOFTUAQHHZRPAD-LLVKDONJSA-N 1 1 311.386 0.605 20 5 DCBDMO COC(=O)[C@H]1CN(c2ncc(C)cc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000413496647 262213925 /nfs/dbraw/zinc/21/39/25/262213925.db2.gz KQZZOOMYCDBTRC-LLVKDONJSA-N 1 1 308.338 0.839 20 5 DCBDMO COC(=O)[C@H]1CN(c2ncc(C)cc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413496647 262213926 /nfs/dbraw/zinc/21/39/26/262213926.db2.gz KQZZOOMYCDBTRC-LLVKDONJSA-N 1 1 308.338 0.839 20 5 DCBDMO CC[N@@H+](C)CCNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000195417679 276071313 /nfs/dbraw/zinc/07/13/13/276071313.db2.gz MKQFKVWGNCKBRP-UHFFFAOYSA-N 1 1 317.367 0.833 20 5 DCBDMO C[N@H+]1CC[C@@H]2CCN(c3nccc(C(N)=O)c3[N+](=O)[O-])[C@H]2C1 ZINC000290985361 290160087 /nfs/dbraw/zinc/16/00/87/290160087.db2.gz SHESSCWXNPNHOI-KOLCDFICSA-N 1 1 305.338 0.619 20 5 DCBDMO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ncnn1C ZINC000583317684 337314795 /nfs/dbraw/zinc/31/47/95/337314795.db2.gz TYUHQUUOVFOMRQ-QWRGUYRKSA-N 1 1 321.337 0.814 20 5 DCBDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001543079068 1159817416 /nfs/dbraw/zinc/81/74/16/1159817416.db2.gz HYPFABRPTUPUFG-LBPRGKRZSA-N 1 1 300.403 0.574 20 5 DCBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(N)=O ZINC000191712089 520981855 /nfs/dbraw/zinc/98/18/55/520981855.db2.gz DJMKXDUUNYYHSO-UHFFFAOYSA-N 1 1 312.301 0.870 20 5 DCBDMO COCC[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000189645250 523585227 /nfs/dbraw/zinc/58/52/27/523585227.db2.gz XLQWBHXOFKCMPO-UHFFFAOYSA-N 1 1 310.354 0.875 20 5 DCBDMO C[C@@H](C[S@@](C)=O)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000126690797 524866941 /nfs/dbraw/zinc/86/69/41/524866941.db2.gz ILROKGIHOVXKSX-FVINQWEUSA-N 1 1 301.368 0.455 20 5 DCBDMO C[C@@H](C[S@@](C)=O)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000126690797 524866953 /nfs/dbraw/zinc/86/69/53/524866953.db2.gz ILROKGIHOVXKSX-FVINQWEUSA-N 1 1 301.368 0.455 20 5 DCBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000190899835 524964764 /nfs/dbraw/zinc/96/47/64/524964764.db2.gz TWYBHKCLTHIXSF-MBNYWOFBSA-N 1 1 310.350 0.895 20 5 DCBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1cnn[nH]1 ZINC001022350295 657777665 /nfs/dbraw/zinc/77/76/65/657777665.db2.gz KFTCDLOVKQBONN-DTORHVGOSA-N 1 1 322.350 0.825 20 5 DCBDMO CN1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC000888982287 658720421 /nfs/dbraw/zinc/72/04/21/658720421.db2.gz MMCROJKJQPJELP-UHFFFAOYSA-N 1 1 300.403 0.528 20 5 DCBDMO CC(C)n1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001022063599 658815449 /nfs/dbraw/zinc/81/54/49/658815449.db2.gz FSXUDNZJAYMAHB-XJFOESAGSA-N 1 1 321.381 0.866 20 5 DCBDMO C[N@H+]1C[C@H](O)C[C@@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000924993841 661846225 /nfs/dbraw/zinc/84/62/25/661846225.db2.gz WNGNVZATNAWTNU-HMJDLUCASA-N 1 1 305.334 0.789 20 5 DCBDMO C[N@@H+](CCO)CCNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000924996742 661849787 /nfs/dbraw/zinc/84/97/87/661849787.db2.gz BHFPUDMVUUPWIJ-UHFFFAOYSA-N 1 1 301.730 0.902 20 5 DCBDMO CCn1c(C)nc([N+](=O)[O-])c1N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000894957868 662037048 /nfs/dbraw/zinc/03/70/48/662037048.db2.gz LCYIUUBDQBDSST-UHFFFAOYSA-N 1 1 324.385 0.330 20 5 DCBDMO C[N@@H+]1CC[C@H]1CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000895768831 662214219 /nfs/dbraw/zinc/21/42/19/662214219.db2.gz INDKYIMOGBXEPI-JTQLQIEISA-N 1 1 308.342 0.337 20 5 DCBDMO C[N@H+]1CC[C@H]1CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000895768831 662214220 /nfs/dbraw/zinc/21/42/20/662214220.db2.gz INDKYIMOGBXEPI-JTQLQIEISA-N 1 1 308.342 0.337 20 5 DCBDMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000900332565 663234576 /nfs/dbraw/zinc/23/45/76/663234576.db2.gz YXQKIGYTANCJIC-ZFWWWQNUSA-N 1 1 307.350 0.709 20 5 DCBDMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000900859330 663288609 /nfs/dbraw/zinc/28/86/09/663288609.db2.gz YYKQURYXHYCRMB-SWLSCSKDSA-N 1 1 307.350 0.709 20 5 DCBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000901135480 663323887 /nfs/dbraw/zinc/32/38/87/663323887.db2.gz NTXUBCCFWMEJOQ-DGCLKSJQSA-N 1 1 307.354 0.924 20 5 DCBDMO C[N@@H+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000912746963 664220817 /nfs/dbraw/zinc/22/08/17/664220817.db2.gz WGJLGGKKNSYKJA-GFCCVEGCSA-N 1 1 323.349 0.499 20 5 DCBDMO C[N@H+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000912746963 664220819 /nfs/dbraw/zinc/22/08/19/664220819.db2.gz WGJLGGKKNSYKJA-GFCCVEGCSA-N 1 1 323.349 0.499 20 5 DCBDMO C[N@@H+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@H](CO)C1 ZINC000912751032 664223726 /nfs/dbraw/zinc/22/37/26/664223726.db2.gz UNUZQQIQBDIEIY-GBXSZLQWSA-N 1 1 305.334 0.743 20 5 DCBDMO C[N@H+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@H](CO)C1 ZINC000912751032 664223729 /nfs/dbraw/zinc/22/37/29/664223729.db2.gz UNUZQQIQBDIEIY-GBXSZLQWSA-N 1 1 305.334 0.743 20 5 DCBDMO CN(CCN1CC[NH2+]CC1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923285542 667495329 /nfs/dbraw/zinc/49/53/29/667495329.db2.gz HNLXBHBVRRBQDF-HNNXBMFYSA-N 1 1 308.382 0.465 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000885859921 667712917 /nfs/dbraw/zinc/71/29/17/667712917.db2.gz CZAMMKCVNOUNQN-LBPRGKRZSA-N 1 1 322.365 0.916 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@]2(CO)CCC[C@@H]12 ZINC000886631876 667784578 /nfs/dbraw/zinc/78/45/78/667784578.db2.gz YLWUYOVGMRLTON-UKRRQHHQSA-N 1 1 307.350 0.993 20 5 DCBDMO CC1(C)CC[N@@H+](CCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000890075130 668091645 /nfs/dbraw/zinc/09/16/45/668091645.db2.gz AMEGZBAJKKNZOJ-UHFFFAOYSA-N 1 1 322.365 0.605 20 5 DCBDMO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)NC ZINC000764203549 668438589 /nfs/dbraw/zinc/43/85/89/668438589.db2.gz YXRYLARQEJXDKS-UHFFFAOYSA-N 1 1 308.338 0.991 20 5 DCBDMO CN(C)C(=O)NCC[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000777715691 668890576 /nfs/dbraw/zinc/89/05/76/668890576.db2.gz GRPOVPGFCQLCBN-CYBMUJFWSA-N 1 1 310.354 0.831 20 5 DCBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@H+](C)[C@H](CO)C1 ZINC000931405407 669194326 /nfs/dbraw/zinc/19/43/26/669194326.db2.gz BGMVFNYPKIQRIM-RISCZKNCSA-N 1 1 322.365 0.530 20 5 DCBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000931405407 669194327 /nfs/dbraw/zinc/19/43/27/669194327.db2.gz BGMVFNYPKIQRIM-RISCZKNCSA-N 1 1 322.365 0.530 20 5 DCBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)n1 ZINC000880582629 669243347 /nfs/dbraw/zinc/24/33/47/669243347.db2.gz ALDGSLZINJZVAO-GFCCVEGCSA-N 1 1 310.354 0.655 20 5 DCBDMO O=[N+]([O-])c1ccn(CCN2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)n1 ZINC000934265115 669588993 /nfs/dbraw/zinc/58/89/93/669588993.db2.gz XIECKKBJPMJNSA-QWHCGFSZSA-N 1 1 309.370 0.322 20 5 DCBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H]3[C@@H]2CCCN3CCO)n1 ZINC000934265115 669588995 /nfs/dbraw/zinc/58/89/95/669588995.db2.gz XIECKKBJPMJNSA-QWHCGFSZSA-N 1 1 309.370 0.322 20 5 DCBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H]3[C@@H]2CCCN3CCO)n1 ZINC000934265115 669588999 /nfs/dbraw/zinc/58/89/99/669588999.db2.gz XIECKKBJPMJNSA-QWHCGFSZSA-N 1 1 309.370 0.322 20 5 DCBDMO C[C@H]1CSCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000934301080 669592832 /nfs/dbraw/zinc/59/28/32/669592832.db2.gz SSCTVHYPXWXDSS-CMPLNLGQSA-N 1 1 300.384 0.980 20 5 DCBDMO Cc1nn(CN2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000795692387 669908043 /nfs/dbraw/zinc/90/80/43/669908043.db2.gz PKCOGTJDUCGPMZ-WCQYABFASA-N 1 1 309.370 0.852 20 5 DCBDMO Nc1ccc(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000808157405 670393848 /nfs/dbraw/zinc/39/38/48/670393848.db2.gz WKTJCWHRKVVIGI-NEPJUHHUSA-N 1 1 320.349 0.458 20 5 DCBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CCc2cnn(C)c2)C1 ZINC000950056213 670489191 /nfs/dbraw/zinc/48/91/91/670489191.db2.gz XRPWNXRETASGKS-ZIAGYGMSSA-N 1 1 321.381 0.161 20 5 DCBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2C[NH2+]CCC2(F)F)nc1 ZINC000850587956 670921044 /nfs/dbraw/zinc/92/10/44/670921044.db2.gz PDNQCUVEQORVFK-QMMMGPOBSA-N 1 1 322.293 0.265 20 5 DCBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2nnc3n2CCC3)c1 ZINC000818946044 671079148 /nfs/dbraw/zinc/07/91/48/671079148.db2.gz DAEILJPOTXJNAD-GFCCVEGCSA-N 1 1 303.322 0.956 20 5 DCBDMO O=C1OC[C@H]2C[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000860156031 671184404 /nfs/dbraw/zinc/18/44/04/671184404.db2.gz CRNPGHPITOIBOD-MPKXVKKWSA-N 1 1 322.317 0.439 20 5 DCBDMO O=C(NCCC[NH+]1CCOCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823533539 671398761 /nfs/dbraw/zinc/39/87/61/671398761.db2.gz JZPHVEGBGFIDBD-CQSZACIVSA-N 1 1 323.349 0.467 20 5 DCBDMO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CC2)CC1 ZINC000825467000 671462809 /nfs/dbraw/zinc/46/28/09/671462809.db2.gz KZTWEFMGVLBTSJ-CQSZACIVSA-N 1 1 305.334 0.935 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000828512601 671554882 /nfs/dbraw/zinc/55/48/82/671554882.db2.gz WOELPRWHNSCBPW-NEPJUHHUSA-N 1 1 307.354 0.652 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000828958386 671564318 /nfs/dbraw/zinc/56/43/18/671564318.db2.gz DQIGOPSBISATBL-NWDGAFQWSA-N 1 1 307.354 0.795 20 5 DCBDMO C[N@@H+](CCO)CCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000829750684 671587646 /nfs/dbraw/zinc/58/76/46/671587646.db2.gz TVXZOFIHNHJAEF-ZIAGYGMSSA-N 1 1 307.350 0.739 20 5 DCBDMO Nc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)cc1[N+](=O)[O-] ZINC000833566377 671748594 /nfs/dbraw/zinc/74/85/94/671748594.db2.gz VUNIUUKBDYFQFS-LBPRGKRZSA-N 1 1 322.365 0.754 20 5 DCBDMO CCc1nocc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020138917 693709478 /nfs/dbraw/zinc/70/94/78/693709478.db2.gz HYDWDRMSCGZYLU-PRULPYPASA-N 1 1 308.338 0.639 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)n1 ZINC001565988201 1159933238 /nfs/dbraw/zinc/93/32/38/1159933238.db2.gz BHDCNPNNOUBLGS-LLVKDONJSA-N 1 1 322.365 0.996 20 5 DCBDMO CNC(=O)CCCN(C)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001578550232 1165056240 /nfs/dbraw/zinc/05/62/40/1165056240.db2.gz KTQNLCFVSQYRDL-OAHLLOKOSA-N 1 1 322.365 0.753 20 5 DCBDMO C[C@H]1C(=O)NCCCN1C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001579487010 1165327864 /nfs/dbraw/zinc/32/78/64/1165327864.db2.gz WXVOVPSXZQMVJB-ZUZCIYMTSA-N 1 1 320.349 0.506 20 5 DCBDMO CC[N@H+]1CC[C@H]1CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001590731316 1166988474 /nfs/dbraw/zinc/98/84/74/1166988474.db2.gz NZFSHEVWPVXNIG-QMMMGPOBSA-N 1 1 304.314 0.676 20 5 DCBDMO CC[NH+]1CCN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001590736658 1166995960 /nfs/dbraw/zinc/99/59/60/1166995960.db2.gz UEXSGWBTYZFQPC-UHFFFAOYSA-N 1 1 304.314 0.312 20 5 DCBDMO CN(C[C@H]1CCC[N@H+]1C)c1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001591058546 1167096818 /nfs/dbraw/zinc/09/68/18/1167096818.db2.gz UUNFPPJOWRYQKV-SNVBAGLBSA-N 1 1 318.341 0.700 20 5 DCBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC001595964292 1167984086 /nfs/dbraw/zinc/98/40/86/1167984086.db2.gz HLZUJVZFBLTQKR-VHSXEESVSA-N 1 1 305.338 0.881 20 5 DCBDMO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])CC(C)(C)O ZINC001604807242 1169692877 /nfs/dbraw/zinc/69/28/77/1169692877.db2.gz JRZADDDISSLWIZ-UHFFFAOYSA-N 1 1 306.326 0.978 20 5 DCBDMO CC1(C)C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1O ZINC001609146781 1170826207 /nfs/dbraw/zinc/82/62/07/1170826207.db2.gz WJVMDTZEHRJJIV-LBPRGKRZSA-N 1 1 318.337 0.978 20 5 DCBDMO C[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC001612950147 1171365988 /nfs/dbraw/zinc/36/59/88/1171365988.db2.gz GTWMTPXJHRVOSJ-KOLCDFICSA-N 1 1 322.369 0.135 20 5 DCBDMO COC(=O)COc1ccc(C[N@H+]2C[C@H](C)[C@H](O)C2)cc1[N+](=O)[O-] ZINC001621538532 1171412276 /nfs/dbraw/zinc/41/22/76/1171412276.db2.gz LYSNVILCHMADOZ-GXFFZTMASA-N 1 1 324.333 0.959 20 5 DCBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC001623518096 1171439914 /nfs/dbraw/zinc/43/99/14/1171439914.db2.gz XHJYIMWSZPAPCX-ZYHUDNBSSA-N 1 1 323.353 0.561 20 5 DCBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC001623518096 1171439918 /nfs/dbraw/zinc/43/99/18/1171439918.db2.gz XHJYIMWSZPAPCX-ZYHUDNBSSA-N 1 1 323.353 0.561 20 5 DCBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC001623518093 1171440116 /nfs/dbraw/zinc/44/01/16/1171440116.db2.gz XHJYIMWSZPAPCX-PWSUYJOCSA-N 1 1 323.353 0.561 20 5 DCBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC001623518093 1171440119 /nfs/dbraw/zinc/44/01/19/1171440119.db2.gz XHJYIMWSZPAPCX-PWSUYJOCSA-N 1 1 323.353 0.561 20 5 DCBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001632472982 1171616620 /nfs/dbraw/zinc/61/66/20/1171616620.db2.gz RBENWJSLRWDHAI-GFCCVEGCSA-N 1 1 322.365 0.746 20 5 DCBDMO Cc1cc(F)cc(C(=O)N2CC([NH2+]C3COC3)C2)c1[N+](=O)[O-] ZINC001636333262 1171734152 /nfs/dbraw/zinc/73/41/52/1171734152.db2.gz FJGPVKKBZMNENS-UHFFFAOYSA-N 1 1 309.297 0.855 20 5 DCBDMO COC[C@@H](C(N)=O)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001645881033 1172168211 /nfs/dbraw/zinc/16/82/11/1172168211.db2.gz LDMHLZPLXDBBAA-LBPRGKRZSA-N 1 1 324.337 0.356 20 5 DCBDMO COC[C@@H](C(N)=O)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001645881033 1172168214 /nfs/dbraw/zinc/16/82/14/1172168214.db2.gz LDMHLZPLXDBBAA-LBPRGKRZSA-N 1 1 324.337 0.356 20 5 DCBDMO O=[N+]([O-])c1ccc(NC[C@@]2(CO)COCC[NH2+]2)c2ccncc21 ZINC001651384021 1173748404 /nfs/dbraw/zinc/74/84/04/1173748404.db2.gz WLUVOPCKGSWLEF-OAHLLOKOSA-N 1 1 318.333 0.906 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC001654517602 1173806315 /nfs/dbraw/zinc/80/63/15/1173806315.db2.gz LEQZEKKWFAMXED-LXTVHRRPSA-N 1 1 324.381 0.778 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC001654517603 1173806736 /nfs/dbraw/zinc/80/67/36/1173806736.db2.gz LEQZEKKWFAMXED-TUVASFSCSA-N 1 1 324.381 0.778 20 5 DCBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H](c3nn[nH]n3)C2)cc1 ZINC001655439190 1173820171 /nfs/dbraw/zinc/82/01/71/1173820171.db2.gz JRRMSTAVPFSJMN-CMPLNLGQSA-N 1 1 304.310 0.631 20 5 DCBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@H](CO)[C@H](CCO)C1 ZINC001655898378 1173830759 /nfs/dbraw/zinc/83/07/59/1173830759.db2.gz IJFZZGWFFJOKFI-CHWSQXEVSA-N 1 1 310.350 0.896 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@H+](C)CCO ZINC001656892378 1173893458 /nfs/dbraw/zinc/89/34/58/1173893458.db2.gz QTZPFBMGDOSKMQ-UHFFFAOYSA-N 1 1 317.367 0.106 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@@H+](C)CCO ZINC001656892378 1173893463 /nfs/dbraw/zinc/89/34/63/1173893463.db2.gz QTZPFBMGDOSKMQ-UHFFFAOYSA-N 1 1 317.367 0.106 20 5 DCBDMO COc1c(O)ccc(C[N@H+](C)CC(C)(CO)CO)c1[N+](=O)[O-] ZINC001658488618 1173923241 /nfs/dbraw/zinc/92/32/41/1173923241.db2.gz CPADNOZIDVJWRD-UHFFFAOYSA-N 1 1 314.338 0.732 20 5 DCBDMO COc1c(O)ccc(C[N@@H+](C)CC(C)(CO)CO)c1[N+](=O)[O-] ZINC001658488618 1173923245 /nfs/dbraw/zinc/92/32/45/1173923245.db2.gz CPADNOZIDVJWRD-UHFFFAOYSA-N 1 1 314.338 0.732 20 5 DCBDMO CCn1ccc(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC001658551657 1173923871 /nfs/dbraw/zinc/92/38/71/1173923871.db2.gz OMKQQEHSPCEBCK-HUUCEWRRSA-N 1 1 320.349 0.995 20 5 DCBDMO NC(=O)CC(=O)NCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001663710434 1174344751 /nfs/dbraw/zinc/34/47/51/1174344751.db2.gz LBMZXFJQYLDAFU-UHFFFAOYSA-N 1 1 320.349 0.551 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CC=CCNC(=O)c1ccn[nH]1 ZINC001699235329 1177963718 /nfs/dbraw/zinc/96/37/18/1177963718.db2.gz ZPEBTHGDPXVZLU-IHWYPQMZSA-N 1 1 319.325 0.127 20 5 DCBDMO Cc1cncc(C[NH2+]C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC001699650977 1178239897 /nfs/dbraw/zinc/23/98/97/1178239897.db2.gz IACBSLPZCIOUNS-CHWSQXEVSA-N 1 1 304.350 0.794 20 5 DCBDMO CCN(CC[NH2+]Cc1cccnc1OC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001715731166 1181964855 /nfs/dbraw/zinc/96/48/55/1181964855.db2.gz LHJCWEVWHUJDLK-CHWSQXEVSA-N 1 1 322.365 0.694 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C/C=C/CNC(=O)C(C)(F)F ZINC001732816737 1185982933 /nfs/dbraw/zinc/98/29/33/1185982933.db2.gz UZZFBBYKHACUQF-ONEGZZNKSA-N 1 1 317.296 0.746 20 5 DCBDMO CN(CC(C)(C)C[NH2+]CCn1cccn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001755281005 1189068912 /nfs/dbraw/zinc/06/89/12/1189068912.db2.gz UQTCZTNZCBMCGH-CHWSQXEVSA-N 1 1 323.397 0.623 20 5 DCBDMO Cc1nc(Cl)nc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1[N+](=O)[O-] ZINC001164666389 719371081 /nfs/dbraw/zinc/37/10/81/719371081.db2.gz FXAFLQZKOLBKCO-BDAKNGLRSA-N 1 1 313.745 0.866 20 5 DCBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC001164671286 719378893 /nfs/dbraw/zinc/37/88/93/719378893.db2.gz VXOKXAYBLHTFGX-DTWKUNHWSA-N 1 1 313.745 0.866 20 5 DCBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1C[N@@H+](C)CCN1C ZINC000823784650 758273963 /nfs/dbraw/zinc/27/39/63/758273963.db2.gz OFMGAWUKSYROII-GWCFXTLKSA-N 1 1 307.354 0.354 20 5 DCBDMO CCCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001098365324 758767263 /nfs/dbraw/zinc/76/72/63/758767263.db2.gz KGJVENXKZBEOFR-ZIAGYGMSSA-N 1 1 313.398 0.737 20 5 DCBDMO CCCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001098365324 758767274 /nfs/dbraw/zinc/76/72/74/758767274.db2.gz KGJVENXKZBEOFR-ZIAGYGMSSA-N 1 1 313.398 0.737 20 5 DCBDMO CCCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001098365324 758767279 /nfs/dbraw/zinc/76/72/79/758767279.db2.gz KGJVENXKZBEOFR-ZIAGYGMSSA-N 1 1 313.398 0.737 20 5 DCBDMO C[NH+](C)CCOCC(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001147842304 767858204 /nfs/dbraw/zinc/85/82/04/767858204.db2.gz QRHHIAYRWBFHBI-UHFFFAOYSA-N 1 1 324.381 0.379 20 5 DCBDMO CCc1nocc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086083156 759692772 /nfs/dbraw/zinc/69/27/72/759692772.db2.gz PNBQJHFCHIDNRA-RFVSLCSESA-N 1 1 322.365 0.887 20 5 DCBDMO O=C(NC[C@H]1C[C@H]([NH2+]CCn2cccn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363536 760102581 /nfs/dbraw/zinc/10/25/81/760102581.db2.gz ZWKBCRODISNSSH-FDYHWXHSSA-N 1 1 307.354 0.033 20 5 DCBDMO Cc1cnc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC001086363936 760106456 /nfs/dbraw/zinc/10/64/56/760106456.db2.gz OHCYKELQEVRNLW-HBJVGIJOSA-N 1 1 319.365 0.435 20 5 DCBDMO CCS(=O)(=O)N1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169040370 760556931 /nfs/dbraw/zinc/55/69/31/760556931.db2.gz ZKIKZBIPVYJOGW-NEPJUHHUSA-N 1 1 305.400 0.399 20 5 DCBDMO CN(C)CC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169056301 760565905 /nfs/dbraw/zinc/56/59/05/760565905.db2.gz RJUOVUGGKUIIHH-MGPQQGTHSA-N 1 1 312.414 0.574 20 5 DCBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCOC12C[NH2+]C2 ZINC001580565220 1165640024 /nfs/dbraw/zinc/64/00/24/1165640024.db2.gz NVRHXAZVHHYRRC-UHFFFAOYSA-N 1 1 309.347 0.845 20 5 DCBDMO CCCSCC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001124198194 768169938 /nfs/dbraw/zinc/16/99/38/768169938.db2.gz WURKGUNMAJIYMO-UHFFFAOYSA-N 1 1 315.399 0.677 20 5 DCBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC001116675293 765896914 /nfs/dbraw/zinc/89/69/14/765896914.db2.gz ZGQNETGAXUPUCD-NSHDSACASA-N 1 1 322.365 0.775 20 5 DCBDMO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC([N@H+]2CCCOCC2)CC1 ZINC001118934862 766476787 /nfs/dbraw/zinc/47/67/87/766476787.db2.gz KKXMJIYGCSIZEW-UHFFFAOYSA-N 1 1 323.353 0.645 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1cccnc1 ZINC001122634254 767847776 /nfs/dbraw/zinc/84/77/76/767847776.db2.gz UOPSQKVLTPVPGP-UHFFFAOYSA-N 1 1 304.310 0.243 20 5 DCBDMO CC[N@@H+](C)CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC001093174795 768480888 /nfs/dbraw/zinc/48/08/88/768480888.db2.gz IDDHBMMGUZDQKR-UHFFFAOYSA-N 1 1 321.381 0.980 20 5 DCBDMO CO[C@@H]1CCOC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001176463566 770108614 /nfs/dbraw/zinc/10/86/14/770108614.db2.gz KAQCQGCOTJDXOI-DGCLKSJQSA-N 1 1 309.322 0.927 20 5 DCBDMO NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001176698987 770156529 /nfs/dbraw/zinc/15/65/29/770156529.db2.gz DRXRWCURQZEAEE-SECBINFHSA-N 1 1 317.342 0.844 20 5 DCBDMO NS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001176698987 770156530 /nfs/dbraw/zinc/15/65/30/770156530.db2.gz DRXRWCURQZEAEE-SECBINFHSA-N 1 1 317.342 0.844 20 5 DCBDMO COc1nc(-n2[nH]c(=O)c(CC[NH3+])c2C)nc(OC)c1[N+](=O)[O-] ZINC001159293862 771891296 /nfs/dbraw/zinc/89/12/96/771891296.db2.gz RARYAJPSIGMQCR-UHFFFAOYSA-N 1 1 324.297 0.103 20 5 DCBDMO C[NH+]1CCN(CC2CN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC001159367139 771902259 /nfs/dbraw/zinc/90/22/59/771902259.db2.gz WNHDOUZYOXENOW-UHFFFAOYSA-N 1 1 319.365 0.309 20 5 DCBDMO Cc1[nH+]c2c(n1CCO)CC[C@H](Nc1ccncc1[N+](=O)[O-])C2 ZINC001186896149 772102720 /nfs/dbraw/zinc/10/27/20/772102720.db2.gz MNMOLSDZDRTUKE-NSHDSACASA-N 1 1 317.349 0.878 20 5 DCBDMO C[C@@H]1C[N@@H+](C2CC2)CCN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001161493738 772233825 /nfs/dbraw/zinc/23/38/25/772233825.db2.gz HCLWNVCUQBVBJM-SECBINFHSA-N 1 1 305.338 0.881 20 5 DCBDMO C[C@@H]1C[N@H+](C2CC2)CCN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001161493738 772233829 /nfs/dbraw/zinc/23/38/29/772233829.db2.gz HCLWNVCUQBVBJM-SECBINFHSA-N 1 1 305.338 0.881 20 5 DCBDMO COc1nc(NCCC[NH+]2CCN(C)CC2)nc(C)c1[N+](=O)[O-] ZINC001161700469 772268180 /nfs/dbraw/zinc/26/81/80/772268180.db2.gz CXEGTGMLLQHHIT-UHFFFAOYSA-N 1 1 324.385 0.751 20 5 DCBDMO CCC[NH+]1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])(COC)CC1 ZINC001162270389 772349868 /nfs/dbraw/zinc/34/98/68/772349868.db2.gz HZYYPVCCRLSYRR-CHWSQXEVSA-N 1 1 313.398 0.906 20 5 DCBDMO Cn1cc([N+](=O)[O-])c(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC001162351457 772365415 /nfs/dbraw/zinc/36/54/15/772365415.db2.gz OUJBVXXIWZUPSE-JTQLQIEISA-N 1 1 310.358 0.328 20 5 DCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](CCOCC2CC2)CC1 ZINC001195768611 773471418 /nfs/dbraw/zinc/47/14/18/773471418.db2.gz FGEKIEQTLPCYED-ZIAGYGMSSA-N 1 1 311.382 0.613 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@H+](CCOCC2CC2)CC1 ZINC001195768611 773471421 /nfs/dbraw/zinc/47/14/21/773471421.db2.gz FGEKIEQTLPCYED-ZIAGYGMSSA-N 1 1 311.382 0.613 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@@H+](CCOCC2CC2)CC1 ZINC001195768611 773471424 /nfs/dbraw/zinc/47/14/24/773471424.db2.gz FGEKIEQTLPCYED-ZIAGYGMSSA-N 1 1 311.382 0.613 20 5 DCBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC001197157719 773707338 /nfs/dbraw/zinc/70/73/38/773707338.db2.gz ZGIULKIXNISISF-UTUOFQBUSA-N 1 1 323.349 0.454 20 5 DCBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC001197157719 773707339 /nfs/dbraw/zinc/70/73/39/773707339.db2.gz ZGIULKIXNISISF-UTUOFQBUSA-N 1 1 323.349 0.454 20 5 DCBDMO Cc1nsc(C)c1C[NH2+]CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266696931 939213090 /nfs/dbraw/zinc/21/30/90/939213090.db2.gz XJPNRRBUWBPEEY-ZYHUDNBSSA-N 1 1 312.395 0.973 20 5 DCBDMO COCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001267599396 939541462 /nfs/dbraw/zinc/54/14/62/939541462.db2.gz NKFPBWJPJVFFDJ-ZIAGYGMSSA-N 1 1 313.398 0.859 20 5 DCBDMO COCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001267599396 939541463 /nfs/dbraw/zinc/54/14/63/939541463.db2.gz NKFPBWJPJVFFDJ-ZIAGYGMSSA-N 1 1 313.398 0.859 20 5 DCBDMO COCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001267599396 939541464 /nfs/dbraw/zinc/54/14/64/939541464.db2.gz NKFPBWJPJVFFDJ-ZIAGYGMSSA-N 1 1 313.398 0.859 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NCCCCC[NH+]1CCNCC1 ZINC001263143783 947814656 /nfs/dbraw/zinc/81/46/56/947814656.db2.gz OGIGSFXULDWVEY-UHFFFAOYSA-N 1 1 323.397 0.739 20 5 DCBDMO C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC001325498837 947817606 /nfs/dbraw/zinc/81/76/06/947817606.db2.gz AFSSITWIDUPLSI-GFCCVEGCSA-N 1 1 320.349 0.421 20 5 DCBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001330308641 950266524 /nfs/dbraw/zinc/26/65/24/950266524.db2.gz ZXGCPNDCISFTBV-VXGBXAGGSA-N 1 1 320.349 0.452 20 5 DCBDMO O=[N+]([O-])c1cccc([C@@H](O)CN2CC([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC001332523704 951679329 /nfs/dbraw/zinc/67/93/29/951679329.db2.gz VLYVNQLVXRULLN-CABCVRRESA-N 1 1 307.350 0.379 20 5 DCBDMO COc1ccc(NC(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)cc1[N+](=O)[O-] ZINC001346532700 953912628 /nfs/dbraw/zinc/91/26/28/953912628.db2.gz USJAFPACSCAAHQ-MFKMUULPSA-N 1 1 320.349 0.930 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001348128480 954204643 /nfs/dbraw/zinc/20/46/43/954204643.db2.gz VQCFVCPPRPPFGP-IJLUTSLNSA-N 1 1 307.354 0.556 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)CC[C@H]21 ZINC001348971319 954552547 /nfs/dbraw/zinc/55/25/47/954552547.db2.gz TUHVBNVSVIDPQH-VXGBXAGGSA-N 1 1 320.349 0.309 20 5 DCBDMO C[N@H+]1CC[C@H]2CN(c3nnc(C[N+](=O)[O-])n3CC3CC3)CC[C@H]21 ZINC001350509441 955119674 /nfs/dbraw/zinc/11/96/74/955119674.db2.gz SGIKSYMMZXVUSH-QWHCGFSZSA-N 1 1 320.397 0.995 20 5 DCBDMO C[NH+]1CC(N2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC001352910872 955822621 /nfs/dbraw/zinc/82/26/21/955822621.db2.gz SJNDRLZLBLUQDO-UHFFFAOYSA-N 1 1 318.377 0.596 20 5 DCBDMO C[NH+]1CCN(C(=O)CNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC001353203494 955976707 /nfs/dbraw/zinc/97/67/07/955976707.db2.gz JYZYRZODNCPKKY-UHFFFAOYSA-N 1 1 324.312 0.238 20 5 DCBDMO CC(C)[N@H+]1CCCN(c2nnc(CCC[N+](=O)[O-])n2C)CC1 ZINC001355391710 956641665 /nfs/dbraw/zinc/64/16/65/956641665.db2.gz KYNOFHDDZJVJQS-UHFFFAOYSA-N 1 1 310.402 0.945 20 5 DCBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCc2c[nH+]c3n2CCC3)n1 ZINC001303550685 960052774 /nfs/dbraw/zinc/05/27/74/960052774.db2.gz BIZGEZLNHQLWBZ-UHFFFAOYSA-N 1 1 304.310 0.884 20 5 DCBDMO O=c1cc([C@@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)[nH]c(=O)[nH]1 ZINC001307891445 960164823 /nfs/dbraw/zinc/16/48/23/960164823.db2.gz RYCYUEPWYQPUIL-SECBINFHSA-N 1 1 320.309 0.482 20 5 DCBDMO COC[C@@](C)(CO)[NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001307998716 960165099 /nfs/dbraw/zinc/16/50/99/960165099.db2.gz UYDWRYPJWMZPON-CQSZACIVSA-N 1 1 312.322 0.868 20 5 DCBDMO C[NH+]1CCN(C(=O)CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001522453121 1014124608 /nfs/dbraw/zinc/12/46/08/1014124608.db2.gz KFTQOBWYTRVGLJ-UHFFFAOYSA-N 1 1 320.349 0.028 20 5 DCBDMO CC[N@@H+](C)C(C)(C)C(=O)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001522901762 1014465020 /nfs/dbraw/zinc/46/50/20/1014465020.db2.gz PRSXIYZUBNGLOP-GHMZBOCLSA-N 1 1 314.386 0.004 20 5 DCBDMO CC[N@H+](C)C(C)(C)C(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001522901762 1014465025 /nfs/dbraw/zinc/46/50/25/1014465025.db2.gz PRSXIYZUBNGLOP-GHMZBOCLSA-N 1 1 314.386 0.004 20 5 DCBDMO CC[N@@H+](C)C(C)(C)C(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001522901762 1014465031 /nfs/dbraw/zinc/46/50/31/1014465031.db2.gz PRSXIYZUBNGLOP-GHMZBOCLSA-N 1 1 314.386 0.004 20 5 DCBDMO O=C(c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001471641801 1016616857 /nfs/dbraw/zinc/61/68/57/1016616857.db2.gz VYIHKINFSCUKEM-UONOGXRCSA-N 1 1 305.334 0.876 20 5 DCBDMO O=C(NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001471798094 1016652229 /nfs/dbraw/zinc/65/22/29/1016652229.db2.gz HZAPKCCKRXZYKP-RFQIPJPRSA-N 1 1 311.382 0.659 20 5 DCBDMO C[N@@H+](CCO)CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001455777562 1009963540 /nfs/dbraw/zinc/96/35/40/1009963540.db2.gz AMPSHDDBOGSCQT-UHFFFAOYSA-N 1 1 323.349 0.598 20 5 DCBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)n1 ZINC001538320445 1012414808 /nfs/dbraw/zinc/41/48/08/1012414808.db2.gz FLQHYHJRDQOCQN-NSHDSACASA-N 1 1 323.353 0.311 20 5 DCBDMO C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](CO)C1 ZINC001560011805 1012434514 /nfs/dbraw/zinc/43/45/14/1012434514.db2.gz OCRAPDZGVGMRAO-GFCCVEGCSA-N 1 1 310.310 0.611 20 5 DCBDMO C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](CO)C1 ZINC001560011805 1012434528 /nfs/dbraw/zinc/43/45/28/1012434528.db2.gz OCRAPDZGVGMRAO-GFCCVEGCSA-N 1 1 310.310 0.611 20 5 DCBDMO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCS(N)(=O)=O ZINC001460718376 1012961600 /nfs/dbraw/zinc/96/16/00/1012961600.db2.gz NGIOCIDZNRBDDQ-UHFFFAOYSA-N 1 1 303.340 0.194 20 5 DCBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CCS(N)(=O)=O ZINC001460718376 1012961615 /nfs/dbraw/zinc/96/16/15/1012961615.db2.gz NGIOCIDZNRBDDQ-UHFFFAOYSA-N 1 1 303.340 0.194 20 5 DCBDMO CC(C)(O)[C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001460753631 1012964567 /nfs/dbraw/zinc/96/45/67/1012964567.db2.gz YMCDLOQMSSNWJM-AAEUAGOBSA-N 1 1 312.370 0.635 20 5 DCBDMO CCN(CC[NH2+]Cc1ccnc(OC)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001497390200 1018105274 /nfs/dbraw/zinc/10/52/74/1018105274.db2.gz FTYFSSWYLRJFPE-CHWSQXEVSA-N 1 1 322.365 0.694 20 5 DCBDMO Cc1cc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])sn1 ZINC001497585853 1018253428 /nfs/dbraw/zinc/25/34/28/1018253428.db2.gz ZRUPBCCVAQRSKW-JGLYPNHGSA-N 1 1 310.379 0.879 20 5 DCBDMO C[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000180800986 199211295 /nfs/dbraw/zinc/21/12/95/199211295.db2.gz RPRMDYDCNRPPSB-LLVKDONJSA-N 1 1 322.365 0.875 20 5 DCBDMO NC(=O)c1ccnc(NC[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000567531013 291360444 /nfs/dbraw/zinc/36/04/44/291360444.db2.gz XQKPBJKVCDJLSM-VIFPVBQESA-N 1 1 305.338 0.985 20 5 DCBDMO [NH3+]Cc1noc(-c2cccc([N+](=O)[O-])c2N2CCOCC2)n1 ZINC000567849995 291384792 /nfs/dbraw/zinc/38/47/92/291384792.db2.gz UZMMLQFUENEPKU-UHFFFAOYSA-N 1 1 305.294 0.940 20 5 DCBDMO COc1ccc(CNC[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000264791318 204158827 /nfs/dbraw/zinc/15/88/27/204158827.db2.gz XDAWKPIWLACQCE-ZDUSSCGKSA-N 1 1 308.382 0.939 20 5 DCBDMO COc1ccc(CNC[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000264791318 204158832 /nfs/dbraw/zinc/15/88/32/204158832.db2.gz XDAWKPIWLACQCE-ZDUSSCGKSA-N 1 1 308.382 0.939 20 5 DCBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C[C@H]2C1 ZINC000282770929 217237988 /nfs/dbraw/zinc/23/79/88/217237988.db2.gz LUGCQTQTTQTCSR-DTORHVGOSA-N 1 1 308.313 0.950 20 5 DCBDMO COCC[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000266108327 205103419 /nfs/dbraw/zinc/10/34/19/205103419.db2.gz MDIFXYHVSVSTOF-UHFFFAOYSA-N 1 1 307.350 0.928 20 5 DCBDMO COCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H](C)C(N)=O ZINC000106312888 194196051 /nfs/dbraw/zinc/19/60/51/194196051.db2.gz JFLFWPQDAPKCJQ-LLVKDONJSA-N 1 1 311.338 0.796 20 5 DCBDMO COCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H](C)C(N)=O ZINC000106312888 194196053 /nfs/dbraw/zinc/19/60/53/194196053.db2.gz JFLFWPQDAPKCJQ-LLVKDONJSA-N 1 1 311.338 0.796 20 5 DCBDMO COCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000339247806 253046431 /nfs/dbraw/zinc/04/64/31/253046431.db2.gz XIUWJUZORMKUOV-UHFFFAOYSA-N 1 1 311.338 0.911 20 5 DCBDMO NS(=O)(=O)[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000339845326 253153512 /nfs/dbraw/zinc/15/35/12/253153512.db2.gz FNZRXYONGKKJMY-LBPRGKRZSA-N 1 1 315.351 0.336 20 5 DCBDMO NS(=O)(=O)[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000339845326 253153515 /nfs/dbraw/zinc/15/35/15/253153515.db2.gz FNZRXYONGKKJMY-LBPRGKRZSA-N 1 1 315.351 0.336 20 5 DCBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H](C)C1 ZINC000346185072 254020544 /nfs/dbraw/zinc/02/05/44/254020544.db2.gz NSULXDRDCMOBFD-QJPTWQEYSA-N 1 1 322.369 0.375 20 5 DCBDMO Cn1nc([N+](=O)[O-])cc1-c1nc([C@H]2C[N@H+]3CCC[C@@H]3CO2)no1 ZINC000346801701 254097128 /nfs/dbraw/zinc/09/71/28/254097128.db2.gz YLJCGVKAPMXMLR-PSASIEDQSA-N 1 1 320.309 0.914 20 5 DCBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000347388883 254153089 /nfs/dbraw/zinc/15/30/89/254153089.db2.gz JNUAUCIJWHWGEC-CYBMUJFWSA-N 1 1 321.381 0.982 20 5 DCBDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000347120216 254131311 /nfs/dbraw/zinc/13/13/11/254131311.db2.gz XOHUGFLMWNMDRV-JTQLQIEISA-N 1 1 324.337 0.536 20 5 DCBDMO C[NH+](C)CCOCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000349740439 254295182 /nfs/dbraw/zinc/29/51/82/254295182.db2.gz ACLKGPRKGABJCX-UHFFFAOYSA-N 1 1 321.337 0.779 20 5 DCBDMO CO[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1OC ZINC000276777281 130545557 /nfs/dbraw/zinc/54/55/57/130545557.db2.gz ABCHYCQKMAIMKS-BETUJISGSA-N 1 1 309.322 0.539 20 5 DCBDMO CO[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1OC ZINC000276777281 130545558 /nfs/dbraw/zinc/54/55/58/130545558.db2.gz ABCHYCQKMAIMKS-BETUJISGSA-N 1 1 309.322 0.539 20 5 DCBDMO CC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000118109731 395860264 /nfs/dbraw/zinc/86/02/64/395860264.db2.gz FXWDSVXBIJBYMD-UHFFFAOYSA-N 1 1 308.338 0.910 20 5 DCBDMO COCC[N@@H+](C)CCCNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000194192167 395791017 /nfs/dbraw/zinc/79/10/17/395791017.db2.gz WVEHBTXABLLBLN-UHFFFAOYSA-N 1 1 313.358 0.335 20 5 DCBDMO CC(C)[N@H+](CC(N)=O)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000053420774 395883368 /nfs/dbraw/zinc/88/33/68/395883368.db2.gz KOYWHQHOHIXXKU-LBPRGKRZSA-N 1 1 311.338 0.530 20 5 DCBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000063831099 395983317 /nfs/dbraw/zinc/98/33/17/395983317.db2.gz FIYSFFYOGBAGDB-TXEJJXNPSA-N 1 1 324.385 0.671 20 5 DCBDMO COCC[N@H+]1CC[C@@H](Nc2ncc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000276933905 396037847 /nfs/dbraw/zinc/03/78/47/396037847.db2.gz SQRFPHWEHGBTQL-LLVKDONJSA-N 1 1 324.337 0.909 20 5 DCBDMO C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000157436948 396063234 /nfs/dbraw/zinc/06/32/34/396063234.db2.gz CNLQXQNBSCSHNE-RISCZKNCSA-N 1 1 307.350 0.973 20 5 DCBDMO C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000157436948 396063238 /nfs/dbraw/zinc/06/32/38/396063238.db2.gz CNLQXQNBSCSHNE-RISCZKNCSA-N 1 1 307.350 0.973 20 5 DCBDMO COCC[N@H+](Cc1ccco1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075624646 396183349 /nfs/dbraw/zinc/18/33/49/396183349.db2.gz MBJUUFZOVALQQX-CYBMUJFWSA-N 1 1 324.337 0.894 20 5 DCBDMO CC(C)[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)N1CC[NH+](C)CC1 ZINC000076267750 396199781 /nfs/dbraw/zinc/19/97/81/396199781.db2.gz LDWDQEULRTYUCT-LLVKDONJSA-N 1 1 323.401 0.651 20 5 DCBDMO CCOC(=O)C[C@H](C)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000182653516 396252633 /nfs/dbraw/zinc/25/26/33/396252633.db2.gz CEHMNFUVSGWBCT-JQWIXIFHSA-N 1 1 314.342 0.426 20 5 DCBDMO C[N@H+]1CC[C@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000264182354 396260518 /nfs/dbraw/zinc/26/05/18/396260518.db2.gz ZGLFPVSILVTQTI-SECBINFHSA-N 1 1 314.367 0.606 20 5 DCBDMO CC[N@H+]1CC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000264425619 396278761 /nfs/dbraw/zinc/27/87/61/396278761.db2.gz AFSPSIWKTGDOMQ-NSHDSACASA-N 1 1 308.338 0.215 20 5 DCBDMO COCC[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000280664483 396213205 /nfs/dbraw/zinc/21/32/05/396213205.db2.gz ATAQFCAKZQNKPS-UHFFFAOYSA-N 1 1 323.349 0.764 20 5 DCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000264639799 396298986 /nfs/dbraw/zinc/29/89/86/396298986.db2.gz FCYLWWPKLHXJRK-ZDUSSCGKSA-N 1 1 322.365 0.336 20 5 DCBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)C[NH+]1CCOCC1 ZINC000265659126 396334379 /nfs/dbraw/zinc/33/43/79/396334379.db2.gz AONZPJKTFBOEOS-SNVBAGLBSA-N 1 1 324.337 0.394 20 5 DCBDMO CC[N@@H+](C)C[C@H](O)Cn1cnc2sc([N+](=O)[O-])cc2c1=O ZINC000516315661 396513232 /nfs/dbraw/zinc/51/32/32/396513232.db2.gz QTZSXBJJMZMDQQ-QMMMGPOBSA-N 1 1 312.351 0.679 20 5 DCBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C2)C1 ZINC000293957062 396644386 /nfs/dbraw/zinc/64/43/86/396644386.db2.gz SRAIAONPHFRIFD-AWEZNQCLSA-N 1 1 306.322 0.863 20 5 DCBDMO O=C1CCCN1C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000595827280 396668286 /nfs/dbraw/zinc/66/82/86/396668286.db2.gz BHHMUTKCKJVFLV-GFCCVEGCSA-N 1 1 307.354 0.736 20 5 DCBDMO C[N@H+]1CCCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596055719 396712678 /nfs/dbraw/zinc/71/26/78/396712678.db2.gz LPROQDGLYVTBDQ-UHFFFAOYSA-N 1 1 314.367 0.384 20 5 DCBDMO C[NH+]1CCN(CCC(C)(C)Nc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000302244335 396718889 /nfs/dbraw/zinc/71/88/89/396718889.db2.gz KCFUYZLPXPECAS-UHFFFAOYSA-N 1 1 323.401 0.795 20 5 DCBDMO O=C([C@@H]1CSC[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000315778001 396791502 /nfs/dbraw/zinc/79/15/02/396791502.db2.gz SGPJMPDMLSGRCT-NSHDSACASA-N 1 1 323.378 0.301 20 5 DCBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CCCC[C@@H]1O ZINC000305804329 396751914 /nfs/dbraw/zinc/75/19/14/396751914.db2.gz JAJLLMJNZXAFGO-XBFCOCLRSA-N 1 1 312.370 0.635 20 5 DCBDMO C[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000611528867 396882119 /nfs/dbraw/zinc/88/21/19/396882119.db2.gz OYLUBUGQWUJRIG-JOYOIKCWSA-N 1 1 308.338 0.626 20 5 DCBDMO C[C@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000611528867 396882123 /nfs/dbraw/zinc/88/21/23/396882123.db2.gz OYLUBUGQWUJRIG-JOYOIKCWSA-N 1 1 308.338 0.626 20 5 DCBDMO C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1CN(C)CCO1 ZINC000611559066 396886429 /nfs/dbraw/zinc/88/64/29/396886429.db2.gz CDKQJGIKGHRHKD-TVQRCGJNSA-N 1 1 309.322 0.749 20 5 DCBDMO O=C(COc1ccccc1[N+](=O)[O-])NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600543707 396886887 /nfs/dbraw/zinc/88/68/87/396886887.db2.gz CGYVOBSERABXSY-LLVKDONJSA-N 1 1 309.322 0.156 20 5 DCBDMO CNc1c(C(=O)NCC[N@H+]2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000600809190 396947437 /nfs/dbraw/zinc/94/74/37/396947437.db2.gz VUOSAURNMJUQAT-JTQLQIEISA-N 1 1 308.338 0.433 20 5 DCBDMO O=C1CO[C@H]2CC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@@H]2N1 ZINC000377227707 397050685 /nfs/dbraw/zinc/05/06/85/397050685.db2.gz XXBGYBDVEQPOQZ-KBPBESRZSA-N 1 1 321.333 0.563 20 5 DCBDMO O=C1CO[C@H]2CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@@H]2N1 ZINC000377227707 397050694 /nfs/dbraw/zinc/05/06/94/397050694.db2.gz XXBGYBDVEQPOQZ-KBPBESRZSA-N 1 1 321.333 0.563 20 5 DCBDMO CCCN(C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@@H+](C)C1 ZINC000591989628 397054230 /nfs/dbraw/zinc/05/42/30/397054230.db2.gz MAEPGTOWHDZBIU-LBPRGKRZSA-N 1 1 324.385 0.917 20 5 DCBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000592198314 397123681 /nfs/dbraw/zinc/12/36/81/397123681.db2.gz NMSOAYAYHGYWLJ-TZMCWYRMSA-N 1 1 308.334 0.993 20 5 DCBDMO CN1CCC([N@@H+]2CC[C@H](NC(=O)c3c[nH]nc3[N+](=O)[O-])C2)CC1 ZINC000619787685 397192704 /nfs/dbraw/zinc/19/27/04/397192704.db2.gz YWKGSEQQRDZNBA-JTQLQIEISA-N 1 1 322.369 0.216 20 5 DCBDMO CN1CCC([N@H+]2CC[C@H](NC(=O)c3c[nH]nc3[N+](=O)[O-])C2)CC1 ZINC000619787685 397192710 /nfs/dbraw/zinc/19/27/10/397192710.db2.gz YWKGSEQQRDZNBA-JTQLQIEISA-N 1 1 322.369 0.216 20 5 DCBDMO O=C1CC[C@@H](C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)N1 ZINC000592999802 397312173 /nfs/dbraw/zinc/31/21/73/397312173.db2.gz FABCGGXPIRXVSG-LBPRGKRZSA-N 1 1 304.350 0.995 20 5 DCBDMO Cc1c(CC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000593854981 397455239 /nfs/dbraw/zinc/45/52/39/397455239.db2.gz NVUDHUCAKFLENE-CQSZACIVSA-N 1 1 319.361 0.723 20 5 DCBDMO Cc1c(CC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000593854981 397455244 /nfs/dbraw/zinc/45/52/44/397455244.db2.gz NVUDHUCAKFLENE-CQSZACIVSA-N 1 1 319.361 0.723 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H](C)CN1CCOCC1 ZINC000602819404 397495072 /nfs/dbraw/zinc/49/50/72/397495072.db2.gz AXHLQUDGMXMZJA-GFCCVEGCSA-N 1 1 311.386 0.752 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000602821131 397495189 /nfs/dbraw/zinc/49/51/89/397495189.db2.gz LEAGRRMOOHQLJO-SMDDNHRTSA-N 1 1 310.354 0.980 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000602821131 397495192 /nfs/dbraw/zinc/49/51/92/397495192.db2.gz LEAGRRMOOHQLJO-SMDDNHRTSA-N 1 1 310.354 0.980 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+](C)C[C@H]1CO ZINC000602905244 397519183 /nfs/dbraw/zinc/51/91/83/397519183.db2.gz QAIZBZFNLJOHPT-ZDUSSCGKSA-N 1 1 322.365 0.450 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@H+](C)C[C@H]1CO ZINC000602905244 397519185 /nfs/dbraw/zinc/51/91/85/397519185.db2.gz QAIZBZFNLJOHPT-ZDUSSCGKSA-N 1 1 322.365 0.450 20 5 DCBDMO Cn1c(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599938620 397545979 /nfs/dbraw/zinc/54/59/79/397545979.db2.gz QXIWQUQSVFRUEE-MNOVXSKESA-N 1 1 308.338 0.214 20 5 DCBDMO CCOC[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000609600293 397784622 /nfs/dbraw/zinc/78/46/22/397784622.db2.gz XMSHLZNYSBVRQU-CYBMUJFWSA-N 1 1 310.354 0.509 20 5 DCBDMO NC(=O)c1ccc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000316982160 159003726 /nfs/dbraw/zinc/00/37/26/159003726.db2.gz DCBZOQVEZFNNTD-SUHUHFCYSA-N 1 1 305.334 0.896 20 5 DCBDMO NC(=O)c1ccc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000321654738 159010714 /nfs/dbraw/zinc/01/07/14/159010714.db2.gz QDNRZFJAOSIGFM-NWDGAFQWSA-N 1 1 320.349 0.969 20 5 DCBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)Nc1ccncc1[N+](=O)[O-] ZINC000367908556 159364082 /nfs/dbraw/zinc/36/40/82/159364082.db2.gz VWACOKJURKVNQG-WDEREUQCSA-N 1 1 321.337 0.396 20 5 DCBDMO Cn1cc[nH+]c1N1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000331626030 415157756 /nfs/dbraw/zinc/15/77/56/415157756.db2.gz GFGLOZZFSUCQIT-UHFFFAOYSA-N 1 1 305.342 0.347 20 5 DCBDMO COC[C@H]1CCCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000342741277 415276392 /nfs/dbraw/zinc/27/63/92/415276392.db2.gz NABYZXZTGSMLSP-GXTWGEPZSA-N 1 1 312.370 0.901 20 5 DCBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000332231131 415308270 /nfs/dbraw/zinc/30/82/70/415308270.db2.gz MNGJACBIEZGEPI-GHMZBOCLSA-N 1 1 308.342 0.272 20 5 DCBDMO CN1CCO[C@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000332291242 415334273 /nfs/dbraw/zinc/33/42/73/415334273.db2.gz JMGUUYSJIVSABL-CABCVRRESA-N 1 1 307.350 0.988 20 5 DCBDMO CN1CCO[C@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000332353712 415358903 /nfs/dbraw/zinc/35/89/03/415358903.db2.gz VMBQLESFTHAQTG-HIFRSBDPSA-N 1 1 307.350 0.988 20 5 DCBDMO CN1CCO[C@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000332353712 415358912 /nfs/dbraw/zinc/35/89/12/415358912.db2.gz VMBQLESFTHAQTG-HIFRSBDPSA-N 1 1 307.350 0.988 20 5 DCBDMO C[C@@H]1[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCC[N@H+]1C ZINC000343433709 415598376 /nfs/dbraw/zinc/59/83/76/415598376.db2.gz GSXWOAWNPUGBIT-PWSUYJOCSA-N 1 1 308.338 0.355 20 5 DCBDMO CN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000153932648 415989685 /nfs/dbraw/zinc/98/96/85/415989685.db2.gz FFUSYONSQCKECC-LLVKDONJSA-N 1 1 308.338 0.309 20 5 DCBDMO CC(C)(CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)N1CCOCC1 ZINC000298069350 415990515 /nfs/dbraw/zinc/99/05/15/415990515.db2.gz FFTZVLWVFKPCRR-UHFFFAOYSA-N 1 1 324.337 0.536 20 5 DCBDMO CO[C@@H]1C[C@H](CN(C)C(=O)c2cc([N+](=O)[O-])nn2C)[N@@H+](C)C1 ZINC000344510018 415934914 /nfs/dbraw/zinc/93/49/14/415934914.db2.gz KNIXUPFPQWYYMX-NXEZZACHSA-N 1 1 311.342 0.119 20 5 DCBDMO CC(C)c1n[nH]c(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000331213259 416288417 /nfs/dbraw/zinc/28/84/17/416288417.db2.gz LIFPGGMRZKJLIW-SNVBAGLBSA-N 1 1 324.385 0.417 20 5 DCBDMO CC(C)c1n[nH]c(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000331213259 416288421 /nfs/dbraw/zinc/28/84/21/416288421.db2.gz LIFPGGMRZKJLIW-SNVBAGLBSA-N 1 1 324.385 0.417 20 5 DCBDMO CC[C@](C)([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(N)=O ZINC000428760887 287330108 /nfs/dbraw/zinc/33/01/08/287330108.db2.gz SZOLRBGTURYGNG-AWEZNQCLSA-N 1 1 324.337 0.786 20 5 DCBDMO Cc1nc(N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)ccc1[N+](=O)[O-] ZINC000584163203 416503444 /nfs/dbraw/zinc/50/34/44/416503444.db2.gz KIUPAWPXWCHUQD-GFCCVEGCSA-N 1 1 319.365 0.699 20 5 DCBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2ccnc(NC)c2[N+](=O)[O-])C1 ZINC000598341891 416602387 /nfs/dbraw/zinc/60/23/87/416602387.db2.gz HVAHZFMLYMUGRS-SNVBAGLBSA-N 1 1 307.354 1.246 20 5 DCBDMO CC(C)Oc1nc(NCC[N@H+]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000599175637 416610354 /nfs/dbraw/zinc/61/03/54/416610354.db2.gz FTVWVRMGFOUWTP-LLVKDONJSA-N 1 1 310.354 1.256 20 5 DCBDMO Cn1c(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000609285665 416653694 /nfs/dbraw/zinc/65/36/94/416653694.db2.gz MSGBFTONCMGZPE-WCQYABFASA-N 1 1 322.365 0.605 20 5 DCBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000545312820 416673270 /nfs/dbraw/zinc/67/32/70/416673270.db2.gz GGONFFSIPDPKLZ-LBPRGKRZSA-N 1 1 323.397 0.689 20 5 DCBDMO Nc1nccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000548738468 416691405 /nfs/dbraw/zinc/69/14/05/416691405.db2.gz SMKQUFZFPHKLIS-GHMZBOCLSA-N 1 1 305.338 0.929 20 5 DCBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CC[N@H+]1CC(C)(C)O ZINC000444545748 416847745 /nfs/dbraw/zinc/84/77/45/416847745.db2.gz LKKJSPKFHFVMQF-LLVKDONJSA-N 1 1 324.381 0.851 20 5 DCBDMO CC[N@H+]1CC[C@H](CNC(=O)c2ccnc(NC)c2[N+](=O)[O-])C1 ZINC000561172121 416857519 /nfs/dbraw/zinc/85/75/19/416857519.db2.gz KBQSARSLPSOZDW-SNVBAGLBSA-N 1 1 307.354 1.103 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000520396788 416959872 /nfs/dbraw/zinc/95/98/72/416959872.db2.gz LYHKYILAXJRTMN-WFASDCNBSA-N 1 1 323.397 0.759 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000520396788 416959881 /nfs/dbraw/zinc/95/98/81/416959881.db2.gz LYHKYILAXJRTMN-WFASDCNBSA-N 1 1 323.397 0.759 20 5 DCBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000565176551 416933606 /nfs/dbraw/zinc/93/36/06/416933606.db2.gz FXUXDNGIPDGNMC-JTQLQIEISA-N 1 1 307.354 1.032 20 5 DCBDMO CNc1nccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000565181862 416937865 /nfs/dbraw/zinc/93/78/65/416937865.db2.gz NXZWGRNNLOTLEV-NEPJUHHUSA-N 1 1 319.365 1.388 20 5 DCBDMO CCC[N@H+](CC(N)=O)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000429129159 416946589 /nfs/dbraw/zinc/94/65/89/416946589.db2.gz QZEPPBMHLRNGCH-GFCCVEGCSA-N 1 1 311.338 0.532 20 5 DCBDMO C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)NCC[NH+](C)C ZINC000565960836 417035041 /nfs/dbraw/zinc/03/50/41/417035041.db2.gz NYBMAFCIKKWMBY-VIFPVBQESA-N 1 1 324.337 0.097 20 5 DCBDMO CCn1nccc1C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000429714450 416993522 /nfs/dbraw/zinc/99/35/22/416993522.db2.gz GJKGJMXCSWJATH-CYBMUJFWSA-N 1 1 308.342 0.501 20 5 DCBDMO CCn1nccc1C[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000429714450 416993531 /nfs/dbraw/zinc/99/35/31/416993531.db2.gz GJKGJMXCSWJATH-CYBMUJFWSA-N 1 1 308.342 0.501 20 5 DCBDMO COC(=O)COc1ccc(CN[C@@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000414887389 417314695 /nfs/dbraw/zinc/31/46/95/417314695.db2.gz DLVKNSJRNHXRJG-JTQLQIEISA-N 1 1 311.338 0.974 20 5 DCBDMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000452349591 417471227 /nfs/dbraw/zinc/47/12/27/417471227.db2.gz NBUDHVXSNSBFTN-JTQLQIEISA-N 1 1 324.337 0.272 20 5 DCBDMO CNc1nc(C(=O)NCC[N@@H+](C)CCOC)ccc1[N+](=O)[O-] ZINC000455366459 417601099 /nfs/dbraw/zinc/60/10/99/417601099.db2.gz NRICJYOPFVYLBR-UHFFFAOYSA-N 1 1 311.342 0.340 20 5 DCBDMO CC(=O)N1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000179312665 261112775 /nfs/dbraw/zinc/11/27/75/261112775.db2.gz FXRLZCDMNBJEJH-UHFFFAOYSA-N 1 1 308.338 0.311 20 5 DCBDMO CC(=O)N1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000179312665 261112777 /nfs/dbraw/zinc/11/27/77/261112777.db2.gz FXRLZCDMNBJEJH-UHFFFAOYSA-N 1 1 308.338 0.311 20 5 DCBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000363391782 262113825 /nfs/dbraw/zinc/11/38/25/262113825.db2.gz YZCZBMKBMMQNEX-LLVKDONJSA-N 1 1 307.354 0.924 20 5 DCBDMO CNc1c(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000360926644 271165535 /nfs/dbraw/zinc/16/55/35/271165535.db2.gz WYPMHYVHMWPAHS-AWEZNQCLSA-N 1 1 308.338 0.433 20 5 DCBDMO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1nncn1C ZINC000494780739 272231376 /nfs/dbraw/zinc/23/13/76/272231376.db2.gz CRSSGTPVBJFYRI-QWRGUYRKSA-N 1 1 321.337 0.814 20 5 DCBDMO COC(=O)C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCOCC1 ZINC000530904945 272751346 /nfs/dbraw/zinc/75/13/46/272751346.db2.gz VFLMTLWFGMNOFS-UHFFFAOYSA-N 1 1 312.326 0.445 20 5 DCBDMO COC(=O)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CCOCC1 ZINC000530904945 272751349 /nfs/dbraw/zinc/75/13/49/272751349.db2.gz VFLMTLWFGMNOFS-UHFFFAOYSA-N 1 1 312.326 0.445 20 5 DCBDMO CCOCC[NH+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000174733881 276323642 /nfs/dbraw/zinc/32/36/42/276323642.db2.gz LULZJDOYJCGFRW-UHFFFAOYSA-N 1 1 322.365 0.852 20 5 DCBDMO CNC(=O)c1ccc(N2CCC[N@@H+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000171681860 277258426 /nfs/dbraw/zinc/25/84/26/277258426.db2.gz SHJCBIPVNHWVBZ-UHFFFAOYSA-N 1 1 322.365 0.459 20 5 DCBDMO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000549404678 288197942 /nfs/dbraw/zinc/19/79/42/288197942.db2.gz VHQWBMYEEYZNFV-LLVKDONJSA-N 1 1 323.353 0.502 20 5 DCBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000298958297 517654859 /nfs/dbraw/zinc/65/48/59/517654859.db2.gz BJIGGRPITIZJPQ-GFCCVEGCSA-N 1 1 323.397 0.926 20 5 DCBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3CCC[C@H]3C2)c(-c2nn[nH]n2)c1 ZINC000738367960 598498746 /nfs/dbraw/zinc/49/87/46/598498746.db2.gz ACBOTMUSWHDJOB-VIFPVBQESA-N 1 1 316.325 0.454 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000933296233 658720098 /nfs/dbraw/zinc/72/00/98/658720098.db2.gz VPKCDFUMQPKYQF-GFCCVEGCSA-N 1 1 309.370 0.898 20 5 DCBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cc3n(n2)CCC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022064103 658816571 /nfs/dbraw/zinc/81/65/71/658816571.db2.gz WKNKMZMQOJKTND-RDBQEKCUSA-N 1 1 319.365 0.231 20 5 DCBDMO CC(C)Oc1nc(N2CC[N@H+](C)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000894881872 662024312 /nfs/dbraw/zinc/02/43/12/662024312.db2.gz OWQOUSGNGQBQTG-NSHDSACASA-N 1 1 310.354 0.890 20 5 DCBDMO CC(C)Oc1nc(N2CC[N@@H+](C)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000894881872 662024313 /nfs/dbraw/zinc/02/43/13/662024313.db2.gz OWQOUSGNGQBQTG-NSHDSACASA-N 1 1 310.354 0.890 20 5 DCBDMO Cn1cc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC000985432345 662443985 /nfs/dbraw/zinc/44/39/85/662443985.db2.gz ZYAZGYZCPRBADJ-ZIAGYGMSSA-N 1 1 321.381 0.508 20 5 DCBDMO Cn1cc(C[N@H+](C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC000985432345 662443986 /nfs/dbraw/zinc/44/39/86/662443986.db2.gz ZYAZGYZCPRBADJ-ZIAGYGMSSA-N 1 1 321.381 0.508 20 5 DCBDMO Cn1cc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC000985432345 662443988 /nfs/dbraw/zinc/44/39/88/662443988.db2.gz ZYAZGYZCPRBADJ-ZIAGYGMSSA-N 1 1 321.381 0.508 20 5 DCBDMO COc1ccc(CN2CC[C@H]([NH2+]CC[N+](=O)[O-])C2=O)c(OC)c1 ZINC000905263055 663543200 /nfs/dbraw/zinc/54/32/00/663543200.db2.gz SSAGVVRZDMNEJX-ZDUSSCGKSA-N 1 1 323.349 0.671 20 5 DCBDMO COc1ccc(CC(=O)N2CC[N@H+](C)C[C@@H]2CO)cc1[N+](=O)[O-] ZINC000912743752 664219165 /nfs/dbraw/zinc/21/91/65/664219165.db2.gz FDKPZCOHZHPCRF-GFCCVEGCSA-N 1 1 323.349 0.281 20 5 DCBDMO COc1ccc(CC(=O)N2CC[N@@H+](C)C[C@@H]2CO)cc1[N+](=O)[O-] ZINC000912743752 664219167 /nfs/dbraw/zinc/21/91/67/664219167.db2.gz FDKPZCOHZHPCRF-GFCCVEGCSA-N 1 1 323.349 0.281 20 5 DCBDMO C[N@@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000913549571 664350403 /nfs/dbraw/zinc/35/04/03/664350403.db2.gz CAOIBVMOBFRKMX-CQSZACIVSA-N 1 1 307.350 0.662 20 5 DCBDMO C[N@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000913549571 664350406 /nfs/dbraw/zinc/35/04/06/664350406.db2.gz CAOIBVMOBFRKMX-CQSZACIVSA-N 1 1 307.350 0.662 20 5 DCBDMO O=C(NCC1C[NH+](CC2CC(F)(F)C2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031662286 665273667 /nfs/dbraw/zinc/27/36/67/665273667.db2.gz ALDVOZJKAYEQBV-GHMZBOCLSA-N 1 1 303.309 0.745 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2cscn2)CC1 ZINC000996441393 666786644 /nfs/dbraw/zinc/78/66/44/666786644.db2.gz RKHJMLZMDVTTDV-VXGBXAGGSA-N 1 1 310.379 0.889 20 5 DCBDMO Cn1nccc1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996429678 666791235 /nfs/dbraw/zinc/79/12/35/666791235.db2.gz SGLSSLJHGCCYSG-CHWSQXEVSA-N 1 1 307.354 0.166 20 5 DCBDMO CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329835 667506138 /nfs/dbraw/zinc/50/61/38/667506138.db2.gz ZEGMASMIFUIGPJ-BRZZBQFESA-N 1 1 309.370 0.367 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCNCC23CCCCC3)c1 ZINC000923327388 667509850 /nfs/dbraw/zinc/50/98/50/667509850.db2.gz PGMDPGRXQNNEMP-AWEZNQCLSA-N 1 1 323.397 0.760 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCNCC23CCCCC3)c1 ZINC000923327388 667509851 /nfs/dbraw/zinc/50/98/51/667509851.db2.gz PGMDPGRXQNNEMP-AWEZNQCLSA-N 1 1 323.397 0.760 20 5 DCBDMO O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000923366282 667517206 /nfs/dbraw/zinc/51/72/06/667517206.db2.gz JHCWCTWJMSWQSA-JKSUJKDBSA-N 1 1 320.393 0.608 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000923428783 667531672 /nfs/dbraw/zinc/53/16/72/667531672.db2.gz RFWVQJMLASWNQK-GJZGRUSLSA-N 1 1 323.397 0.618 20 5 DCBDMO C[N@H+]1CC[C@H](CNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000841523348 667689101 /nfs/dbraw/zinc/68/91/01/667689101.db2.gz BDXPWXURQXOZGF-MRVPVSSYSA-N 1 1 305.381 0.886 20 5 DCBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1ccc([N+](=O)[O-])cn1 ZINC000885873813 667715122 /nfs/dbraw/zinc/71/51/22/667715122.db2.gz ZQVDRUZQOAVVIO-LBPRGKRZSA-N 1 1 320.349 0.973 20 5 DCBDMO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873136322 667975238 /nfs/dbraw/zinc/97/52/38/667975238.db2.gz YYCDGMWSQKQCEO-AAEUAGOBSA-N 1 1 314.363 0.805 20 5 DCBDMO O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839722005 668136544 /nfs/dbraw/zinc/13/65/44/668136544.db2.gz STZJKMCCXGGUPF-RBSFLKMASA-N 1 1 319.361 0.535 20 5 DCBDMO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839722005 668136545 /nfs/dbraw/zinc/13/65/45/668136545.db2.gz STZJKMCCXGGUPF-RBSFLKMASA-N 1 1 319.361 0.535 20 5 DCBDMO O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839722005 668136547 /nfs/dbraw/zinc/13/65/47/668136547.db2.gz STZJKMCCXGGUPF-RBSFLKMASA-N 1 1 319.361 0.535 20 5 DCBDMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768891786 668626757 /nfs/dbraw/zinc/62/67/57/668626757.db2.gz MOCKUFHNLZQUAY-SNVBAGLBSA-N 1 1 321.380 0.001 20 5 DCBDMO CN1C(=O)[C@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@H]2C1=O ZINC000877720716 668642166 /nfs/dbraw/zinc/64/21/66/668642166.db2.gz VLPRVZRKGFFSCB-BETUJISGSA-N 1 1 303.318 0.684 20 5 DCBDMO CN(CC(=O)N1CC[NH+](C)CC1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000879356037 669021321 /nfs/dbraw/zinc/02/13/21/669021321.db2.gz WVUHYHFBUXYRDU-UHFFFAOYSA-N 1 1 324.356 0.940 20 5 DCBDMO O=C1C[C@@]2(CC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)CN1 ZINC000789355995 669488895 /nfs/dbraw/zinc/48/88/95/669488895.db2.gz WZFXQWFKXIGQBP-ZFWWWQNUSA-N 1 1 305.334 0.840 20 5 DCBDMO C[N@H+](CCC(N)=O)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000796600606 669936270 /nfs/dbraw/zinc/93/62/70/669936270.db2.gz CTHKEBWYRKXJIH-UHFFFAOYSA-N 1 1 314.729 0.994 20 5 DCBDMO C[N@@H+](CCC(N)=O)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000796600606 669936271 /nfs/dbraw/zinc/93/62/71/669936271.db2.gz CTHKEBWYRKXJIH-UHFFFAOYSA-N 1 1 314.729 0.994 20 5 DCBDMO CON1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000846985218 670507382 /nfs/dbraw/zinc/50/73/82/670507382.db2.gz ZMLPTKUQQSTLLJ-CYBMUJFWSA-N 1 1 311.338 0.514 20 5 DCBDMO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000817118361 670897026 /nfs/dbraw/zinc/89/70/26/670897026.db2.gz TXBHBPFKINABPR-QWRGUYRKSA-N 1 1 320.349 0.969 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c1 ZINC000860167656 671187197 /nfs/dbraw/zinc/18/71/97/671187197.db2.gz JPCTVANGEKWJNZ-VXGBXAGGSA-N 1 1 320.301 0.986 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c1 ZINC000860167656 671187199 /nfs/dbraw/zinc/18/71/99/671187199.db2.gz JPCTVANGEKWJNZ-VXGBXAGGSA-N 1 1 320.301 0.986 20 5 DCBDMO Nc1ccc(NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000823921592 671413289 /nfs/dbraw/zinc/41/32/89/671413289.db2.gz ZBORDUXSSGKRHO-LLVKDONJSA-N 1 1 321.337 0.460 20 5 DCBDMO Nc1ccc(NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000823921592 671413291 /nfs/dbraw/zinc/41/32/91/671413291.db2.gz ZBORDUXSSGKRHO-LLVKDONJSA-N 1 1 321.337 0.460 20 5 DCBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)n1 ZINC000827264430 671520013 /nfs/dbraw/zinc/52/00/13/671520013.db2.gz BQXFBZYSIKMFEG-QWRGUYRKSA-N 1 1 307.354 0.977 20 5 DCBDMO C[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1CCO ZINC000841455313 671932462 /nfs/dbraw/zinc/93/24/62/671932462.db2.gz SKMYTLJNSTUOQL-MNOVXSKESA-N 1 1 322.365 0.704 20 5 DCBDMO C[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1CCO ZINC000841455313 671932463 /nfs/dbraw/zinc/93/24/63/671932463.db2.gz SKMYTLJNSTUOQL-MNOVXSKESA-N 1 1 322.365 0.704 20 5 DCBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000843854574 672125175 /nfs/dbraw/zinc/12/51/75/672125175.db2.gz SWDFUQCIRZEEFI-CQSZACIVSA-N 1 1 311.313 0.839 20 5 DCBDMO Nc1ccc(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000843995294 672133081 /nfs/dbraw/zinc/13/30/81/672133081.db2.gz URYAVZDHNACQSL-LLVKDONJSA-N 1 1 306.322 0.068 20 5 DCBDMO Nc1ccc(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000843995294 672133082 /nfs/dbraw/zinc/13/30/82/672133082.db2.gz URYAVZDHNACQSL-LLVKDONJSA-N 1 1 306.322 0.068 20 5 DCBDMO COCC[N@H+]1[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H]1C ZINC000844022666 672138199 /nfs/dbraw/zinc/13/81/99/672138199.db2.gz FGMSIYUXZIHSGM-AOOOYVTPSA-N 1 1 311.342 0.499 20 5 DCBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H]1C ZINC000844022666 672138200 /nfs/dbraw/zinc/13/82/00/672138200.db2.gz FGMSIYUXZIHSGM-AOOOYVTPSA-N 1 1 311.342 0.499 20 5 DCBDMO Cc1cc(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c(N)c([N+](=O)[O-])c1 ZINC000846514907 672323539 /nfs/dbraw/zinc/32/35/39/672323539.db2.gz CTSDPMKADUHQPL-LLVKDONJSA-N 1 1 320.349 0.376 20 5 DCBDMO Cc1cc(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c(N)c([N+](=O)[O-])c1 ZINC000846514907 672323543 /nfs/dbraw/zinc/32/35/43/672323543.db2.gz CTSDPMKADUHQPL-LLVKDONJSA-N 1 1 320.349 0.376 20 5 DCBDMO Cn1cc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001017545468 692934714 /nfs/dbraw/zinc/93/47/14/692934714.db2.gz JCJSWLXMYPOUCG-XJFOESAGSA-N 1 1 319.365 0.261 20 5 DCBDMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001304661883 1159154731 /nfs/dbraw/zinc/15/47/31/1159154731.db2.gz PHSNCWODUNSHFM-STQMWFEESA-N 1 1 308.338 0.594 20 5 DCBDMO CN(CCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)C(N)=O ZINC001570207150 1161492354 /nfs/dbraw/zinc/49/23/54/1161492354.db2.gz GKOJFDDCFMFGFJ-UHFFFAOYSA-N 1 1 308.338 0.360 20 5 DCBDMO C[N@H+](CCNC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC001578473920 1165028451 /nfs/dbraw/zinc/02/84/51/1165028451.db2.gz UPZNHGKSFQLSNJ-HNNXBMFYSA-N 1 1 306.366 0.979 20 5 DCBDMO C[N@@H+](CCNC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC001578473920 1165028464 /nfs/dbraw/zinc/02/84/64/1165028464.db2.gz UPZNHGKSFQLSNJ-HNNXBMFYSA-N 1 1 306.366 0.979 20 5 DCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1NCC[NH+]1CC=CC1 ZINC001593470649 1167863452 /nfs/dbraw/zinc/86/34/52/1167863452.db2.gz JPMQHACYQZEAQA-UHFFFAOYSA-N 1 1 302.298 0.454 20 5 DCBDMO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001620436481 1171402419 /nfs/dbraw/zinc/40/24/19/1171402419.db2.gz XRGQOKHXDYJMHQ-RISCZKNCSA-N 1 1 309.322 0.011 20 5 DCBDMO C[C@@]1(CO)C[C@@H](O)C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001620436481 1171402425 /nfs/dbraw/zinc/40/24/25/1171402425.db2.gz XRGQOKHXDYJMHQ-RISCZKNCSA-N 1 1 309.322 0.011 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)c1 ZINC001620524216 1171404341 /nfs/dbraw/zinc/40/43/41/1171404341.db2.gz OOSPKDDZVODKCH-KBXIAJHMSA-N 1 1 324.381 0.778 20 5 DCBDMO Nc1ncc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC001624812052 1171461308 /nfs/dbraw/zinc/46/13/08/1171461308.db2.gz MURLJOMKQPLPLP-MNOVXSKESA-N 1 1 305.338 0.929 20 5 DCBDMO C[N@H+]1CC[C@H]2CN(c3nccc(C(N)=O)c3[N+](=O)[O-])CC[C@@H]21 ZINC001640289207 1171874757 /nfs/dbraw/zinc/87/47/57/1171874757.db2.gz OXRWSJJYUGOUSA-ONGXEEELSA-N 1 1 305.338 0.619 20 5 DCBDMO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001641267347 1171911038 /nfs/dbraw/zinc/91/10/38/1171911038.db2.gz DZNAGFOKFYDRKH-FPMFFAJLSA-N 1 1 323.324 0.883 20 5 DCBDMO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001641267347 1171911049 /nfs/dbraw/zinc/91/10/49/1171911049.db2.gz DZNAGFOKFYDRKH-FPMFFAJLSA-N 1 1 323.324 0.883 20 5 DCBDMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC001645374731 1172041010 /nfs/dbraw/zinc/04/10/10/1172041010.db2.gz DPFDJCHUBCYYPA-LLVKDONJSA-N 1 1 308.338 0.906 20 5 DCBDMO C[N@@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)[C@H](CO)C1 ZINC001647902998 1173061008 /nfs/dbraw/zinc/06/10/08/1173061008.db2.gz RWAZJPDAHCFJGO-NSHDSACASA-N 1 1 318.333 0.825 20 5 DCBDMO C[N@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)[C@H](CO)C1 ZINC001647902998 1173061009 /nfs/dbraw/zinc/06/10/09/1173061009.db2.gz RWAZJPDAHCFJGO-NSHDSACASA-N 1 1 318.333 0.825 20 5 DCBDMO CCc1ccc(C(=O)N2CC([NH2+]C3COC3)C2)cc1[N+](=O)[O-] ZINC001648029794 1173064910 /nfs/dbraw/zinc/06/49/10/1173064910.db2.gz GFINVBQAOQPWTD-UHFFFAOYSA-N 1 1 305.334 0.970 20 5 DCBDMO CCC(=O)c1ccc(NC[C@@]2(CO)COCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001652188748 1173764913 /nfs/dbraw/zinc/76/49/13/1173764913.db2.gz JKYLALJCQJCFQZ-OAHLLOKOSA-N 1 1 323.349 0.950 20 5 DCBDMO O=[N+]([O-])c1cc2c(ncnc2N2CC([NH2+]C3COC3)C2)s1 ZINC001652270137 1173766455 /nfs/dbraw/zinc/76/64/55/1173766455.db2.gz NPBFIUIOZBMTTM-UHFFFAOYSA-N 1 1 307.335 0.777 20 5 DCBDMO COC(=O)CNC(=O)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001652971364 1173779284 /nfs/dbraw/zinc/77/92/84/1173779284.db2.gz FZEWLBJCRDYOGI-UHFFFAOYSA-N 1 1 315.713 0.627 20 5 DCBDMO Cc1ccc(NC(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)c(N)c1[N+](=O)[O-] ZINC001653218157 1173782882 /nfs/dbraw/zinc/78/28/82/1173782882.db2.gz VDENLEHCELWPNF-ZYHUDNBSSA-N 1 1 319.365 0.812 20 5 DCBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001654229439 1173802240 /nfs/dbraw/zinc/80/22/40/1173802240.db2.gz MXJISZGIWDMXEJ-INTQDDNPSA-N 1 1 306.322 0.174 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC001654676877 1173809256 /nfs/dbraw/zinc/80/92/56/1173809256.db2.gz RFODEZHRRMVUPH-CYBMUJFWSA-N 1 1 320.349 0.956 20 5 DCBDMO C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC001659189748 1173931914 /nfs/dbraw/zinc/93/19/14/1173931914.db2.gz OHRPLKSBIMOMTD-NTZNESFSSA-N 1 1 322.365 0.731 20 5 DCBDMO C[N@H+](CCNC(=O)C(C)(C)C(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC001690948585 1177358047 /nfs/dbraw/zinc/35/80/47/1177358047.db2.gz IOYWWYREVGYTMI-UHFFFAOYSA-N 1 1 322.365 0.654 20 5 DCBDMO C[N@@H+](CCNC(=O)C(C)(C)C(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC001690948585 1177358052 /nfs/dbraw/zinc/35/80/52/1177358052.db2.gz IOYWWYREVGYTMI-UHFFFAOYSA-N 1 1 322.365 0.654 20 5 DCBDMO Cc1nn[nH]c1C(=O)NCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001714551428 1181412992 /nfs/dbraw/zinc/41/29/92/1181412992.db2.gz GEMBGUCUCUVEOD-UHFFFAOYSA-N 1 1 318.337 0.883 20 5 DCBDMO Cc1nn[nH]c1C(=O)NCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001714551428 1181412995 /nfs/dbraw/zinc/41/29/95/1181412995.db2.gz GEMBGUCUCUVEOD-UHFFFAOYSA-N 1 1 318.337 0.883 20 5 DCBDMO O=C(NCC1([NH2+]CC2CCOCC2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001717150049 1182697109 /nfs/dbraw/zinc/69/71/09/1182697109.db2.gz MBMXFTJXEQCEIG-CHWSQXEVSA-N 1 1 311.382 0.707 20 5 DCBDMO Cc1ncc(C[N@H+](C)CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001733772424 1186441593 /nfs/dbraw/zinc/44/15/93/1186441593.db2.gz CFJSXEWVJCOFJT-CHWSQXEVSA-N 1 1 310.354 0.929 20 5 DCBDMO C[N@H+]1CCO[C@@H]2CN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)C[C@@H]21 ZINC001164669312 719415261 /nfs/dbraw/zinc/41/52/61/719415261.db2.gz LNIWAZZREQYZOS-NWDGAFQWSA-N 1 1 303.322 0.990 20 5 DCBDMO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])c(N)n1 ZINC001164925627 721868777 /nfs/dbraw/zinc/86/87/77/721868777.db2.gz OXGWENSKAFTQDB-NEPJUHHUSA-N 1 1 320.397 0.787 20 5 DCBDMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])c(N)n1 ZINC001164925627 721868779 /nfs/dbraw/zinc/86/87/79/721868779.db2.gz OXGWENSKAFTQDB-NEPJUHHUSA-N 1 1 320.397 0.787 20 5 DCBDMO Cc1nc(N2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)ncc1[N+](=O)[O-] ZINC001164932868 721886622 /nfs/dbraw/zinc/88/66/22/721886622.db2.gz KDAPWALXYCRSHY-STQMWFEESA-N 1 1 320.397 0.908 20 5 DCBDMO Cc1nc(N2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)ncc1[N+](=O)[O-] ZINC001164932868 721886623 /nfs/dbraw/zinc/88/66/23/721886623.db2.gz KDAPWALXYCRSHY-STQMWFEESA-N 1 1 320.397 0.908 20 5 DCBDMO Cc1ccccc1OCC[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126938739 750152266 /nfs/dbraw/zinc/15/22/66/750152266.db2.gz IRVAKWFXJOXANU-CHWSQXEVSA-N 1 1 307.350 0.745 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)/C=C\c1ccco1 ZINC001122735082 767865872 /nfs/dbraw/zinc/86/58/72/767865872.db2.gz NXDSBBKSTFFTCC-PLNGDYQASA-N 1 1 319.321 0.841 20 5 DCBDMO Cc1ncoc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086084571 759694908 /nfs/dbraw/zinc/69/49/08/759694908.db2.gz WFGNXCLPNRGOKQ-WRWGMCAJSA-N 1 1 308.338 0.633 20 5 DCBDMO Cc1nccnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086363181 760101314 /nfs/dbraw/zinc/10/13/14/760101314.db2.gz GRIQIWHJOQXAAJ-HKUMRIAESA-N 1 1 319.365 0.435 20 5 DCBDMO COCCN1C[C@@H]2C[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1=O ZINC001169020116 760559286 /nfs/dbraw/zinc/55/92/86/760559286.db2.gz IMUSWIWNWZKRKV-CRWXNKLISA-N 1 1 311.382 0.468 20 5 DCBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[NH+](CCCCCO)CC1 ZINC001169064742 760567372 /nfs/dbraw/zinc/56/73/72/760567372.db2.gz MJLWYJIXRAOCHK-UHFFFAOYSA-N 1 1 311.342 0.238 20 5 DCBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001116342077 765862667 /nfs/dbraw/zinc/86/26/67/765862667.db2.gz MDLCTYPERCGVPC-VXGBXAGGSA-N 1 1 322.365 0.555 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)n1 ZINC001147352421 767722057 /nfs/dbraw/zinc/72/20/57/767722057.db2.gz LLKAQUIBFHBNLY-RISCZKNCSA-N 1 1 321.381 0.662 20 5 DCBDMO Cc1n[nH]c(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)c1[N+](=O)[O-] ZINC001141281406 768573334 /nfs/dbraw/zinc/57/33/34/768573334.db2.gz XBQRVECZXAHIFW-JTQLQIEISA-N 1 1 311.342 0.203 20 5 DCBDMO CC(C)c1[nH+]ccn1CC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001150028771 768928843 /nfs/dbraw/zinc/92/88/43/768928843.db2.gz ASZPUXGSVGRBLP-UHFFFAOYSA-N 1 1 306.326 0.928 20 5 DCBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H](CO)Cc1cnc[nH]1 ZINC001152486531 769575833 /nfs/dbraw/zinc/57/58/33/769575833.db2.gz XXSXYNAWPWEESP-LBPRGKRZSA-N 1 1 304.306 0.580 20 5 DCBDMO Nc1nccc(C(=O)NCc2c[nH+]c3n2CCC3)c1[N+](=O)[O-] ZINC001154937877 770345089 /nfs/dbraw/zinc/34/50/89/770345089.db2.gz XIRGWYZZKGXLCB-UHFFFAOYSA-N 1 1 302.294 0.645 20 5 DCBDMO COc1c(O)ccc(CNC[C@@]2(O)CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001180594549 771146530 /nfs/dbraw/zinc/14/65/30/771146530.db2.gz SVNPNLHYVIZIKJ-AWEZNQCLSA-N 1 1 311.338 0.465 20 5 DCBDMO COc1cc(N2CC([N@@H+](C)[C@H]3CCOC3)C2)ncc1[N+](=O)[O-] ZINC001158731788 771815656 /nfs/dbraw/zinc/81/56/56/771815656.db2.gz YWQKHXGLCSECOZ-JTQLQIEISA-N 1 1 308.338 0.908 20 5 DCBDMO Nc1ncc(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)cc1[N+](=O)[O-] ZINC001159092168 771860106 /nfs/dbraw/zinc/86/01/06/771860106.db2.gz VOTFXWKEVKRMOY-NSHDSACASA-N 1 1 323.353 0.149 20 5 DCBDMO O=C1C[NH2+]CCN1CCNc1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001161024163 772151608 /nfs/dbraw/zinc/15/16/08/772151608.db2.gz HVIZZLYIMRLXBP-UHFFFAOYSA-N 1 1 304.310 0.315 20 5 DCBDMO COc1nc(N2CCC(F)(F)[C@@H]([NH3+])C2)nc(OC)c1[N+](=O)[O-] ZINC001164322487 772645814 /nfs/dbraw/zinc/64/58/14/772645814.db2.gz BAAAODPFIOALOX-LURJTMIESA-N 1 1 319.268 0.575 20 5 DCBDMO COCCC[NH+]1CCN(c2c(C)c([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001165097863 772694272 /nfs/dbraw/zinc/69/42/72/772694272.db2.gz VAMXIJLOLJHWFY-UHFFFAOYSA-N 1 1 310.354 0.695 20 5 DCBDMO COC(=O)C1([NH3+])CCN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)CC1 ZINC001166796809 772860899 /nfs/dbraw/zinc/86/08/99/772860899.db2.gz DUGFXFOGVJESQE-UHFFFAOYSA-N 1 1 319.321 0.942 20 5 DCBDMO CCn1cnc(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC001203583709 772914321 /nfs/dbraw/zinc/91/43/21/772914321.db2.gz UGSZFFMKFNAXNG-HUUCEWRRSA-N 1 1 320.349 0.995 20 5 DCBDMO CNC(=O)[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001195307809 773374426 /nfs/dbraw/zinc/37/44/26/773374426.db2.gz YFLCIDZLTWNLRZ-NWDGAFQWSA-N 1 1 323.349 0.402 20 5 DCBDMO C[N@H+]1CCN[C@H](c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C1 ZINC001211457653 773808552 /nfs/dbraw/zinc/80/85/52/773808552.db2.gz SVZQPPRFZFVFHS-QMMMGPOBSA-N 1 1 308.273 0.755 20 5 DCBDMO C[NH+]1CCN(C(=O)CO[C@@H](C[N+](=O)[O-])c2cccnc2)CC1 ZINC001222544089 775381861 /nfs/dbraw/zinc/38/18/61/775381861.db2.gz ZQYVFEKHNDEMOX-ZDUSSCGKSA-N 1 1 308.338 0.190 20 5 DCBDMO C[N@@H+]1CCO[C@@H](COc2n[nH]c(=O)c3ccc([N+](=O)[O-])cc32)C1 ZINC001229365951 776184802 /nfs/dbraw/zinc/18/48/02/776184802.db2.gz ZTNZNRCGZZYKBR-SNVBAGLBSA-N 1 1 320.305 0.953 20 5 DCBDMO C[N@H+]1CCO[C@@H](COc2n[nH]c(=O)c3ccc([N+](=O)[O-])cc32)C1 ZINC001229365951 776184807 /nfs/dbraw/zinc/18/48/07/776184807.db2.gz ZTNZNRCGZZYKBR-SNVBAGLBSA-N 1 1 320.305 0.953 20 5 DCBDMO CCO[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)C[NH+](C)C ZINC001595150870 1167968938 /nfs/dbraw/zinc/96/89/38/1167968938.db2.gz OEYZSPBHKXEMRS-CYBMUJFWSA-N 1 1 311.338 0.997 20 5 DCBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3C[C@H](CO)[C@H](O)C3)CC2)cc1 ZINC001254474450 946397276 /nfs/dbraw/zinc/39/72/76/946397276.db2.gz QPZIBAGPRPONEB-MLGOLLRUSA-N 1 1 321.377 0.849 20 5 DCBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)C2)C1 ZINC001324303530 947386145 /nfs/dbraw/zinc/38/61/45/947386145.db2.gz VRXUVGQCZKRJSB-OAHLLOKOSA-N 1 1 320.349 0.311 20 5 DCBDMO O=[N+]([O-])c1cccc([C@H](O)CN2CC([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC001332523721 951678744 /nfs/dbraw/zinc/67/87/44/951678744.db2.gz VLYVNQLVXRULLN-HUUCEWRRSA-N 1 1 307.350 0.379 20 5 DCBDMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001333222818 951962510 /nfs/dbraw/zinc/96/25/10/951962510.db2.gz FENDYLXDJLKIQL-ZDUSSCGKSA-N 1 1 318.333 0.257 20 5 DCBDMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001333222818 951962516 /nfs/dbraw/zinc/96/25/16/951962516.db2.gz FENDYLXDJLKIQL-ZDUSSCGKSA-N 1 1 318.333 0.257 20 5 DCBDMO CN1CCN(CCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001335880431 952613678 /nfs/dbraw/zinc/61/36/78/952613678.db2.gz BGKMANAWNYEEDJ-INIZCTEOSA-N 1 1 322.409 0.855 20 5 DCBDMO Cc1cc(C(=O)NCC(=O)N2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC001348075433 954197016 /nfs/dbraw/zinc/19/70/16/954197016.db2.gz KCSQVMLIRNKVPQ-UHFFFAOYSA-N 1 1 320.349 0.407 20 5 DCBDMO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC001300189683 955910437 /nfs/dbraw/zinc/91/04/37/955910437.db2.gz VAJAEFAOZLDTCU-WDEREUQCSA-N 1 1 323.353 0.547 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2C[C@@H]([NH+]3CCCC3)C2)c1 ZINC001357240594 957238212 /nfs/dbraw/zinc/23/82/12/957238212.db2.gz BXXUXCJKNJWYAG-MBNYWOFBSA-N 1 1 309.370 0.369 20 5 DCBDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H]1C ZINC001446978124 1013160938 /nfs/dbraw/zinc/16/09/38/1013160938.db2.gz YUDMMGDOHSRDFT-JTQLQIEISA-N 1 1 324.337 0.632 20 5 DCBDMO COC(=O)CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H]1C ZINC001446978124 1013160946 /nfs/dbraw/zinc/16/09/46/1013160946.db2.gz YUDMMGDOHSRDFT-JTQLQIEISA-N 1 1 324.337 0.632 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](c2ncccn2)C2CC2)c1 ZINC001308091354 960169096 /nfs/dbraw/zinc/16/90/96/960169096.db2.gz BETOLSYBTPYTOC-CHWSQXEVSA-N 1 1 318.337 0.683 20 5 DCBDMO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001447286332 1013344898 /nfs/dbraw/zinc/34/48/98/1013344898.db2.gz PCQXRZBOZOIECI-YMTOWFKASA-N 1 1 319.321 0.865 20 5 DCBDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001447286332 1013344906 /nfs/dbraw/zinc/34/49/06/1013344906.db2.gz PCQXRZBOZOIECI-YMTOWFKASA-N 1 1 319.321 0.865 20 5 DCBDMO CN1CCCC[C@H]1CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001464733592 1015942615 /nfs/dbraw/zinc/94/26/15/1015942615.db2.gz WRLYPYKJKGICIP-JTQLQIEISA-N 1 1 314.367 0.752 20 5 DCBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@H]1C[N@@H+](C)CCN1C ZINC001465293011 1015994148 /nfs/dbraw/zinc/99/41/48/1015994148.db2.gz GKXCVLOZESSJIQ-IINYFYTJSA-N 1 1 321.381 0.541 20 5 DCBDMO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001473763094 1016966065 /nfs/dbraw/zinc/96/60/65/1016966065.db2.gz RODFULSHLUPCSU-NSHDSACASA-N 1 1 306.322 0.308 20 5 DCBDMO CN1CC[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001440649208 1007938173 /nfs/dbraw/zinc/93/81/73/1007938173.db2.gz WZPQZBVFPILMNC-UHFFFAOYSA-N 1 1 321.381 0.544 20 5 DCBDMO O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@@H]1COCC[NH2+]1 ZINC001574326693 1163697773 /nfs/dbraw/zinc/69/77/73/1163697773.db2.gz DAGAYZLNMLQWLD-VIFPVBQESA-N 1 1 317.704 0.992 20 5 DCBDMO C[N@H+]1C[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC001456161336 1010109196 /nfs/dbraw/zinc/10/91/96/1010109196.db2.gz XIGOGQKCKPMXBU-NSHDSACASA-N 1 1 309.370 0.983 20 5 DCBDMO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001556855112 1012234959 /nfs/dbraw/zinc/23/49/59/1012234959.db2.gz QUWLNHJJHMVDAJ-LLVKDONJSA-N 1 1 309.322 0.487 20 5 DCBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3ccnc(N)c3[N+](=O)[O-])CC[C@H]21 ZINC001557976353 1012310848 /nfs/dbraw/zinc/31/08/48/1012310848.db2.gz IGKBXEHLHOMOJS-GXSJLCMTSA-N 1 1 305.338 0.738 20 5 DCBDMO C[N@@H+](CCO)CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001558358793 1012351374 /nfs/dbraw/zinc/35/13/74/1012351374.db2.gz FEELFPXVRJURJN-UHFFFAOYSA-N 1 1 322.365 0.823 20 5 DCBDMO O=C(CC[N@H+]1CC[C@H](O)[C@H](CO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001559915256 1012436355 /nfs/dbraw/zinc/43/63/55/1012436355.db2.gz JVWOONRDYKEKTP-FZMZJTMJSA-N 1 1 323.349 0.599 20 5 DCBDMO O=C(NC1CC1)[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090549104 185302486 /nfs/dbraw/zinc/30/24/86/185302486.db2.gz IOOFKGQXUOLKRG-ZDUSSCGKSA-N 1 1 320.349 0.500 20 5 DCBDMO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090549104 185302487 /nfs/dbraw/zinc/30/24/87/185302487.db2.gz IOOFKGQXUOLKRG-ZDUSSCGKSA-N 1 1 320.349 0.500 20 5 DCBDMO C[C@H]1C[N@@H+](C)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000330789602 232070858 /nfs/dbraw/zinc/07/08/58/232070858.db2.gz BFKLTQVDTZPDEB-STQMWFEESA-N 1 1 309.366 0.970 20 5 DCBDMO C[C@H]1CN(C)CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000330789602 232070862 /nfs/dbraw/zinc/07/08/62/232070862.db2.gz BFKLTQVDTZPDEB-STQMWFEESA-N 1 1 309.366 0.970 20 5 DCBDMO C[C@H]1CN(C)CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000330789602 232070866 /nfs/dbraw/zinc/07/08/66/232070866.db2.gz BFKLTQVDTZPDEB-STQMWFEESA-N 1 1 309.366 0.970 20 5 DCBDMO C[C@H]1C[NH2+]CCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000123484416 290936863 /nfs/dbraw/zinc/93/68/63/290936863.db2.gz QZESOHFQUIVABK-QMMMGPOBSA-N 1 1 303.315 0.716 20 5 DCBDMO C[N@H+]1CC[C@@H]2CCN(c3nccc(C(N)=O)c3[N+](=O)[O-])[C@@H]2C1 ZINC000290985365 283079135 /nfs/dbraw/zinc/07/91/35/283079135.db2.gz SHESSCWXNPNHOI-MWLCHTKSSA-N 1 1 305.338 0.619 20 5 DCBDMO NC(=O)c1ccc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC000450798402 240646953 /nfs/dbraw/zinc/64/69/53/240646953.db2.gz YYKXPVXIIATTMH-TXEJJXNPSA-N 1 1 320.349 0.969 20 5 DCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000264753511 204128960 /nfs/dbraw/zinc/12/89/60/204128960.db2.gz SUCWPOZFGSFRBZ-LBPRGKRZSA-N 1 1 322.365 0.336 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000264970103 204312996 /nfs/dbraw/zinc/31/29/96/204312996.db2.gz DXLNMZFBFRUWMB-LLVKDONJSA-N 1 1 322.369 0.071 20 5 DCBDMO CC[N@@H+](C)CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000109817552 194290150 /nfs/dbraw/zinc/29/01/50/194290150.db2.gz YIMNKDRJPFFDSF-UHFFFAOYSA-N 1 1 301.368 0.966 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000339034054 253023092 /nfs/dbraw/zinc/02/30/92/253023092.db2.gz PLMDDBTUNYJXGA-SNVBAGLBSA-N 1 1 310.358 0.328 20 5 DCBDMO C[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000340913772 253321450 /nfs/dbraw/zinc/32/14/50/253321450.db2.gz GVVMOECWYQITNJ-ZWNOBZJWSA-N 1 1 305.334 0.939 20 5 DCBDMO C[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000340913772 253321452 /nfs/dbraw/zinc/32/14/52/253321452.db2.gz GVVMOECWYQITNJ-ZWNOBZJWSA-N 1 1 305.334 0.939 20 5 DCBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000347368328 254151579 /nfs/dbraw/zinc/15/15/79/254151579.db2.gz DPFIWMHYZXPUNG-UHFFFAOYSA-N 1 1 306.326 0.996 20 5 DCBDMO Cc1cccc(NCCNC(=O)c2c([N+](=O)[O-])cnn2C)[nH+]1 ZINC000347507622 254162853 /nfs/dbraw/zinc/16/28/53/254162853.db2.gz GLZLBJCESVNSSK-UHFFFAOYSA-N 1 1 304.310 0.874 20 5 DCBDMO CN(C)c1[nH+]cc(CNC(=O)c2cc([N+](=O)[O-])cnc2N)n1C ZINC000350898153 254329430 /nfs/dbraw/zinc/32/94/30/254329430.db2.gz JHPJPOJEKOBFCG-UHFFFAOYSA-N 1 1 319.325 0.302 20 5 DCBDMO C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000351517388 254341665 /nfs/dbraw/zinc/34/16/65/254341665.db2.gz NIDSVSHXYYJYEE-VIFPVBQESA-N 1 1 324.312 0.740 20 5 DCBDMO CNC(=O)NC(=O)CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285235055 131150062 /nfs/dbraw/zinc/15/00/62/131150062.db2.gz GFHZSXRBBRCDPA-UHFFFAOYSA-N 1 1 308.338 0.915 20 5 DCBDMO CC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000091461226 395725398 /nfs/dbraw/zinc/72/53/98/395725398.db2.gz CAOZZQKURCLTCT-UHFFFAOYSA-N 1 1 302.356 0.606 20 5 DCBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000108300943 395788094 /nfs/dbraw/zinc/78/80/94/395788094.db2.gz AMJCRFJXLVFHEY-GFCCVEGCSA-N 1 1 320.349 0.357 20 5 DCBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](CCO)CC1 ZINC000045311209 395762142 /nfs/dbraw/zinc/76/21/42/395762142.db2.gz JJYHZYQVPBUHGV-GFCCVEGCSA-N 1 1 322.365 0.532 20 5 DCBDMO CNC(=O)c1ccc(N2CC[NH+](CCCO)CC2)c([N+](=O)[O-])c1 ZINC000060372374 395961219 /nfs/dbraw/zinc/96/12/19/395961219.db2.gz HHEKDRCVAMDRQU-UHFFFAOYSA-N 1 1 322.365 0.459 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000068203216 396048976 /nfs/dbraw/zinc/04/89/76/396048976.db2.gz CJHOLFRWFMGJAB-NSHDSACASA-N 1 1 309.370 0.948 20 5 DCBDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000177031663 396164819 /nfs/dbraw/zinc/16/48/19/396164819.db2.gz AVBRUBAQEAGJNH-LBPRGKRZSA-N 1 1 322.365 0.699 20 5 DCBDMO COC(=O)[C@]1(C)CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000177465434 396176853 /nfs/dbraw/zinc/17/68/53/396176853.db2.gz BSLZUQSPYUSFLY-WCQYABFASA-N 1 1 312.326 0.037 20 5 DCBDMO C[C@@H]1[C@H](C)SCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075749084 396186632 /nfs/dbraw/zinc/18/66/32/396186632.db2.gz CZVSPKSRGVHIHU-SCVCMEIPSA-N 1 1 300.384 0.978 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC3(C2)CCOCC3)c1 ZINC000076177566 396197299 /nfs/dbraw/zinc/19/72/99/396197299.db2.gz CJTPMVLUFQJYCG-ZDUSSCGKSA-N 1 1 310.354 0.655 20 5 DCBDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000280492330 396204369 /nfs/dbraw/zinc/20/43/69/396204369.db2.gz BITMGGWSMIMBER-BXKDBHETSA-N 1 1 321.333 0.935 20 5 DCBDMO CC[N@@H+](CCO)CCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000183951657 396279159 /nfs/dbraw/zinc/27/91/59/396279159.db2.gz MUUDMIHAYHXQBB-UHFFFAOYSA-N 1 1 311.338 0.647 20 5 DCBDMO COCC[N@H+]1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000264432103 396279434 /nfs/dbraw/zinc/27/94/34/396279434.db2.gz AUAGKBNILLGOPV-GFCCVEGCSA-N 1 1 323.349 0.811 20 5 DCBDMO C[C@@]1(C(N)=O)CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000280722218 396216352 /nfs/dbraw/zinc/21/63/52/396216352.db2.gz KGLDDILZWOUJKL-CQSZACIVSA-N 1 1 306.322 0.391 20 5 DCBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H](O)CN1CCOCC1 ZINC000083244453 396314729 /nfs/dbraw/zinc/31/47/29/396314729.db2.gz DANPXCVDDVOZLS-INIZCTEOSA-N 1 1 323.393 0.762 20 5 DCBDMO COCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000265371061 396310934 /nfs/dbraw/zinc/31/09/34/396310934.db2.gz HWUVVTOVIVQLMH-UHFFFAOYSA-N 1 1 324.337 0.228 20 5 DCBDMO C[C@@H](O)C[N@H+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000191233011 396417392 /nfs/dbraw/zinc/41/73/92/396417392.db2.gz ZPHNVGWSRXTIKF-CHWSQXEVSA-N 1 1 324.381 0.143 20 5 DCBDMO CNS(=O)(=O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595039900 396545826 /nfs/dbraw/zinc/54/58/26/396545826.db2.gz HJUWEFYVJHCRBS-VIFPVBQESA-N 1 1 317.367 0.803 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](C2CC2)C2(CO)CCC2)c1 ZINC000595532739 396625952 /nfs/dbraw/zinc/62/59/52/396625952.db2.gz ACGZGMOUOGGCLW-ZDUSSCGKSA-N 1 1 310.354 0.532 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588863556 396695758 /nfs/dbraw/zinc/69/57/58/396695758.db2.gz QBRACHCNBULZLO-KBPBESRZSA-N 1 1 305.334 0.876 20 5 DCBDMO C[NH+](C)C[C@@H](CO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000588866142 396697316 /nfs/dbraw/zinc/69/73/16/396697316.db2.gz BTZXRNSPHOKSGN-QMMMGPOBSA-N 1 1 307.310 0.123 20 5 DCBDMO C[N@H+]1CCC[C@@H](N2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])CC2)C1 ZINC000596129261 396722406 /nfs/dbraw/zinc/72/24/06/396722406.db2.gz SEKDWEZJPYPGAZ-GFCCVEGCSA-N 1 1 321.381 0.912 20 5 DCBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCO)CCN2CCOCC2)cc1 ZINC000304741020 396733000 /nfs/dbraw/zinc/73/30/00/396733000.db2.gz UDBIJKZGOXDGNT-UHFFFAOYSA-N 1 1 309.366 0.721 20 5 DCBDMO C[C@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000596224276 396735711 /nfs/dbraw/zinc/73/57/11/396735711.db2.gz YOTKKUMITIQINE-JTQLQIEISA-N 1 1 310.354 0.977 20 5 DCBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC([NH+]2CCOCC2)CC1 ZINC000600106173 396739251 /nfs/dbraw/zinc/73/92/51/396739251.db2.gz BRJCNSPNVJXXDH-UHFFFAOYSA-N 1 1 309.326 0.255 20 5 DCBDMO O=C(Cn1ccc([N+](=O)[O-])n1)NCc1c[nH+]c2n1CCCC2 ZINC000375549729 396771054 /nfs/dbraw/zinc/77/10/54/396771054.db2.gz WDRYHFZEFNGSEH-UHFFFAOYSA-N 1 1 304.310 0.641 20 5 DCBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000611242274 396844114 /nfs/dbraw/zinc/84/41/14/396844114.db2.gz TYMFEXAGRCOCRT-LBPRGKRZSA-N 1 1 319.365 0.908 20 5 DCBDMO O=C(COc1cccc([N+](=O)[O-])c1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600532869 396885292 /nfs/dbraw/zinc/88/52/92/396885292.db2.gz OWDXRLCTHTZNOE-GFCCVEGCSA-N 1 1 309.322 0.156 20 5 DCBDMO CCc1n[nH]c(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000377593229 397108108 /nfs/dbraw/zinc/10/81/08/397108108.db2.gz MJCXTRYGUJTCBQ-UWVGGRQHSA-N 1 1 323.353 0.473 20 5 DCBDMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000592198311 397123200 /nfs/dbraw/zinc/12/32/00/397123200.db2.gz NMSOAYAYHGYWLJ-GXTWGEPZSA-N 1 1 308.334 0.993 20 5 DCBDMO CN1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H](C[NH3+])C1 ZINC000573962930 397222829 /nfs/dbraw/zinc/22/28/29/397222829.db2.gz PDPWETPTZBWGED-SNVBAGLBSA-N 1 1 318.337 0.186 20 5 DCBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593857402 397456863 /nfs/dbraw/zinc/45/68/63/397456863.db2.gz ZNYAQDXYWBZEST-GFCCVEGCSA-N 1 1 305.334 0.794 20 5 DCBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593857402 397456867 /nfs/dbraw/zinc/45/68/67/397456867.db2.gz ZNYAQDXYWBZEST-GFCCVEGCSA-N 1 1 305.334 0.794 20 5 DCBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)CN1CC[NH+](C)CC1 ZINC000330558526 159193079 /nfs/dbraw/zinc/19/30/79/159193079.db2.gz XGCOZTCORZZEDT-NSHDSACASA-N 1 1 309.370 0.536 20 5 DCBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)n1 ZINC000408370123 160093875 /nfs/dbraw/zinc/09/38/75/160093875.db2.gz HFPWTCYCZPHIOK-MNOVXSKESA-N 1 1 307.354 0.977 20 5 DCBDMO CCCC[N@@H+](C)CCNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000151304031 287032614 /nfs/dbraw/zinc/03/26/14/287032614.db2.gz SXZWQJUBIAIDRX-UHFFFAOYSA-N 1 1 312.374 0.822 20 5 DCBDMO COC[C@@H]1CCCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000342741282 415277030 /nfs/dbraw/zinc/27/70/30/415277030.db2.gz NABYZXZTGSMLSP-OCCSQVGLSA-N 1 1 312.370 0.901 20 5 DCBDMO CN1CCO[C@@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000332353715 415360147 /nfs/dbraw/zinc/36/01/47/415360147.db2.gz VMBQLESFTHAQTG-UKRRQHHQSA-N 1 1 307.350 0.988 20 5 DCBDMO CN1CCO[C@@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000332353715 415360152 /nfs/dbraw/zinc/36/01/52/415360152.db2.gz VMBQLESFTHAQTG-UKRRQHHQSA-N 1 1 307.350 0.988 20 5 DCBDMO NC(=O)C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551483 415530321 /nfs/dbraw/zinc/53/03/21/415530321.db2.gz OWAWJGQPWQPTRI-NSHDSACASA-N 1 1 308.338 0.344 20 5 DCBDMO CCC(=O)N[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090522847 415530504 /nfs/dbraw/zinc/53/05/04/415530504.db2.gz DNNPKJCNNJAOSL-LBPRGKRZSA-N 1 1 322.365 0.747 20 5 DCBDMO CCC(=O)N[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090522847 415530505 /nfs/dbraw/zinc/53/05/05/415530505.db2.gz DNNPKJCNNJAOSL-LBPRGKRZSA-N 1 1 322.365 0.747 20 5 DCBDMO C[C@H]1OCC[C@]12C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CCO2 ZINC000280470720 415548401 /nfs/dbraw/zinc/54/84/01/415548401.db2.gz OXQLFTRYXPNVMA-DOMZBBRYSA-N 1 1 323.349 0.636 20 5 DCBDMO C[C@H]1OCC[C@]12C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CCO2 ZINC000280470720 415548407 /nfs/dbraw/zinc/54/84/07/415548407.db2.gz OXQLFTRYXPNVMA-DOMZBBRYSA-N 1 1 323.349 0.636 20 5 DCBDMO CCn1c(C)nc([N+](=O)[O-])c1NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000288864650 415696740 /nfs/dbraw/zinc/69/67/40/415696740.db2.gz LGTNCTGVRMVDID-NSHDSACASA-N 1 1 324.385 0.871 20 5 DCBDMO CC(C)[C@@](C)([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(N)=O ZINC000289366723 415704297 /nfs/dbraw/zinc/70/42/97/415704297.db2.gz OQSAVMXDXKLASN-CQSZACIVSA-N 1 1 308.338 0.683 20 5 DCBDMO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCCNC1=O ZINC000131765952 415929585 /nfs/dbraw/zinc/92/95/85/415929585.db2.gz ICICNQHWUHUPLU-GFCCVEGCSA-N 1 1 308.338 0.357 20 5 DCBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCCNC1=O ZINC000131765952 415929591 /nfs/dbraw/zinc/92/95/91/415929591.db2.gz ICICNQHWUHUPLU-GFCCVEGCSA-N 1 1 308.338 0.357 20 5 DCBDMO CNC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000299088899 416050735 /nfs/dbraw/zinc/05/07/35/416050735.db2.gz LCZWKKNGIXHHSY-OCCSQVGLSA-N 1 1 323.349 0.545 20 5 DCBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNc2ncccc2[N+](=O)[O-])C1 ZINC000301201690 416077724 /nfs/dbraw/zinc/07/77/24/416077724.db2.gz WUWUZEKJJJVNOS-LLVKDONJSA-N 1 1 307.354 0.989 20 5 DCBDMO CNC(=O)CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000170791871 416031686 /nfs/dbraw/zinc/03/16/86/416031686.db2.gz RIWRXDOIJOKIJI-JTQLQIEISA-N 1 1 308.338 0.990 20 5 DCBDMO Cc1nc(NC[C@@](C)(O)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000301669208 416089197 /nfs/dbraw/zinc/08/91/97/416089197.db2.gz PPPHVUSBRNXNGM-CQSZACIVSA-N 1 1 310.354 0.793 20 5 DCBDMO CCc1nn(C)c(N2CC[N@H+](CCO)C(C)(C)C2)c1[N+](=O)[O-] ZINC000302527073 416097659 /nfs/dbraw/zinc/09/76/59/416097659.db2.gz KJOMIOOHYQHAEL-UHFFFAOYSA-N 1 1 311.386 0.784 20 5 DCBDMO CCc1nn(C)c(N2CC[N@@H+](CCO)C(C)(C)C2)c1[N+](=O)[O-] ZINC000302527073 416097661 /nfs/dbraw/zinc/09/76/61/416097661.db2.gz KJOMIOOHYQHAEL-UHFFFAOYSA-N 1 1 311.386 0.784 20 5 DCBDMO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCS(=O)(=O)C1 ZINC000176207505 416121029 /nfs/dbraw/zinc/12/10/29/416121029.db2.gz UMIYWSSQPXFPPI-NSHDSACASA-N 1 1 316.383 0.690 20 5 DCBDMO CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCS(=O)(=O)C1 ZINC000176207505 416121031 /nfs/dbraw/zinc/12/10/31/416121031.db2.gz UMIYWSSQPXFPPI-NSHDSACASA-N 1 1 316.383 0.690 20 5 DCBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCC(CN3CCOCC3)CC2)n1 ZINC000176228081 416122121 /nfs/dbraw/zinc/12/21/21/416122121.db2.gz SQGXBYZNANZANY-UHFFFAOYSA-N 1 1 323.397 0.836 20 5 DCBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000331421235 416309971 /nfs/dbraw/zinc/30/99/71/416309971.db2.gz XADFOFYNXCPETO-JTQLQIEISA-N 1 1 309.326 0.112 20 5 DCBDMO COC(=O)[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000191858506 416291333 /nfs/dbraw/zinc/29/13/33/416291333.db2.gz CGNPGLNJSXIPLR-AAEUAGOBSA-N 1 1 323.349 0.888 20 5 DCBDMO CN1CC[C@H]([N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000245450184 416331037 /nfs/dbraw/zinc/33/10/37/416331037.db2.gz OITUEUSVWWAKKE-PWSUYJOCSA-N 1 1 305.338 0.707 20 5 DCBDMO CN1CC[C@H]([N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000245450184 416331038 /nfs/dbraw/zinc/33/10/38/416331038.db2.gz OITUEUSVWWAKKE-PWSUYJOCSA-N 1 1 305.338 0.707 20 5 DCBDMO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000436054535 416545862 /nfs/dbraw/zinc/54/58/62/416545862.db2.gz HQKXJRDBWALGBH-LBPRGKRZSA-N 1 1 324.385 0.111 20 5 DCBDMO CNc1nccc(C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000594344906 416560215 /nfs/dbraw/zinc/56/02/15/416560215.db2.gz IYPMPPYIQSXTGI-LBPRGKRZSA-N 1 1 321.381 1.444 20 5 DCBDMO COC[C@](C)(CC(=O)OC)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000440566123 416640194 /nfs/dbraw/zinc/64/01/94/416640194.db2.gz YWTBETMHTSPQDU-LBPRGKRZSA-N 1 1 300.315 0.386 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000609285017 416652919 /nfs/dbraw/zinc/65/29/19/416652919.db2.gz CKECZARRTIHTCO-NEPJUHHUSA-N 1 1 308.338 0.594 20 5 DCBDMO O=C(CC[N@@H+]1CC[C@@H](CO)[C@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000559284126 416807912 /nfs/dbraw/zinc/80/79/12/416807912.db2.gz YJYDUCHAJXTFIQ-SMDDNHRTSA-N 1 1 323.349 0.599 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000525292371 417135844 /nfs/dbraw/zinc/13/58/44/417135844.db2.gz NUHIIXVTRIPKPN-NSHDSACASA-N 1 1 309.370 0.948 20 5 DCBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000449521584 417150301 /nfs/dbraw/zinc/15/03/01/417150301.db2.gz IPYCVIUXICPESY-TXEJJXNPSA-N 1 1 319.317 0.698 20 5 DCBDMO CCOC(=O)C[N@H+](CC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000525782513 417151975 /nfs/dbraw/zinc/15/19/75/417151975.db2.gz QSUSZWUSYZBKIO-LLVKDONJSA-N 1 1 300.315 0.037 20 5 DCBDMO CCOC(=O)C[N@@H+](CC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000525782513 417151981 /nfs/dbraw/zinc/15/19/81/417151981.db2.gz QSUSZWUSYZBKIO-LLVKDONJSA-N 1 1 300.315 0.037 20 5 DCBDMO C[C@@H]1CC[N@@H+](CCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000525804193 417152037 /nfs/dbraw/zinc/15/20/37/417152037.db2.gz LROCQNOPEVTFDA-LLVKDONJSA-N 1 1 308.338 0.215 20 5 DCBDMO C[C@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC2(CCC2)O1 ZINC000568981381 417200361 /nfs/dbraw/zinc/20/03/61/417200361.db2.gz RSOBCJJQEXRFET-AAEUAGOBSA-N 1 1 310.354 0.796 20 5 DCBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000576050731 417576370 /nfs/dbraw/zinc/57/63/70/417576370.db2.gz QNDVLGQPCGJEAC-SNVBAGLBSA-N 1 1 307.354 1.034 20 5 DCBDMO CC[N@@H+](CCO)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355607276 261352794 /nfs/dbraw/zinc/35/27/94/261352794.db2.gz NRXHTMJZEBWFCV-UHFFFAOYSA-N 1 1 312.322 0.961 20 5 DCBDMO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000459835896 272014314 /nfs/dbraw/zinc/01/43/14/272014314.db2.gz YECMYWVUNITUOM-SUZMYJTESA-N 1 1 309.322 0.925 20 5 DCBDMO CC(C)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC[N@H+]1C ZINC000487074037 272037008 /nfs/dbraw/zinc/03/70/08/272037008.db2.gz AOCRXDQAOGQFTQ-LBPRGKRZSA-N 1 1 307.354 0.865 20 5 DCBDMO CC(C)OC[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000514540676 272399240 /nfs/dbraw/zinc/39/92/40/272399240.db2.gz KTMBBHQQQXLNAJ-CQSZACIVSA-N 1 1 324.381 0.898 20 5 DCBDMO CSC[C@H](O)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298146587 274178334 /nfs/dbraw/zinc/17/83/34/274178334.db2.gz RFDZRVGRNJUESB-LLVKDONJSA-N 1 1 312.395 0.836 20 5 DCBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000584300936 332228877 /nfs/dbraw/zinc/22/88/77/332228877.db2.gz FKSSRCSNPKRWMJ-UHFFFAOYSA-N 1 1 322.369 0.521 20 5 DCBDMO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[NH+](C2CCOCC2)CC1 ZINC000577458363 341910726 /nfs/dbraw/zinc/91/07/26/341910726.db2.gz YCCOITWMUZGLNJ-UHFFFAOYSA-N 1 1 309.326 0.255 20 5 DCBDMO COCCO[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000189715520 524037294 /nfs/dbraw/zinc/03/72/94/524037294.db2.gz HIRONZIHWMMGMI-ZDUSSCGKSA-N 1 1 323.349 0.931 20 5 DCBDMO COCCO[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000189715520 524037297 /nfs/dbraw/zinc/03/72/97/524037297.db2.gz HIRONZIHWMMGMI-ZDUSSCGKSA-N 1 1 323.349 0.931 20 5 DCBDMO COc1ccc(CNC(=O)[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000266799891 524063233 /nfs/dbraw/zinc/06/32/33/524063233.db2.gz FBBHBJBTHNXECU-ZDUSSCGKSA-N 1 1 309.322 0.550 20 5 DCBDMO COc1ccc(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000266799891 524063234 /nfs/dbraw/zinc/06/32/34/524063234.db2.gz FBBHBJBTHNXECU-ZDUSSCGKSA-N 1 1 309.322 0.550 20 5 DCBDMO C[C@H](C[S@](C)=O)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000126690555 524672017 /nfs/dbraw/zinc/67/20/17/524672017.db2.gz ILROKGIHOVXKSX-CFMSYZGJSA-N 1 1 301.368 0.455 20 5 DCBDMO C[C@H](C[S@](C)=O)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000126690555 524672023 /nfs/dbraw/zinc/67/20/23/524672023.db2.gz ILROKGIHOVXKSX-CFMSYZGJSA-N 1 1 301.368 0.455 20 5 DCBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H]1C ZINC000245669347 525760878 /nfs/dbraw/zinc/76/08/78/525760878.db2.gz HEKVTJBHLUBHEQ-MNOVXSKESA-N 1 1 322.365 0.704 20 5 DCBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H]1C ZINC000245669347 525760889 /nfs/dbraw/zinc/76/08/89/525760889.db2.gz HEKVTJBHLUBHEQ-MNOVXSKESA-N 1 1 322.365 0.704 20 5 DCBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@H](C)C1 ZINC000188295398 525792026 /nfs/dbraw/zinc/79/20/26/525792026.db2.gz MCWAOQVQTKTQBL-GHMZBOCLSA-N 1 1 322.365 0.704 20 5 DCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@H](C)C1 ZINC000188295398 525792037 /nfs/dbraw/zinc/79/20/37/525792037.db2.gz MCWAOQVQTKTQBL-GHMZBOCLSA-N 1 1 322.365 0.704 20 5 DCBDMO CN1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[N@H+](C)CC1 ZINC000888989665 657557656 /nfs/dbraw/zinc/55/76/56/657557656.db2.gz VHFZYHOKAUCKOY-UHFFFAOYSA-N 1 1 307.354 0.309 20 5 DCBDMO CN1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[N@@H+](C)CC1 ZINC000888989665 657557659 /nfs/dbraw/zinc/55/76/59/657557659.db2.gz VHFZYHOKAUCKOY-UHFFFAOYSA-N 1 1 307.354 0.309 20 5 DCBDMO COc1cc([N+](=O)[O-])cnc1N1CC[NH+](CC(C)(C)O)CC1 ZINC000892270046 658517218 /nfs/dbraw/zinc/51/72/18/658517218.db2.gz DCKWAFMKQRUMFJ-UHFFFAOYSA-N 1 1 310.354 0.891 20 5 DCBDMO Cn1ncc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000892489985 658718999 /nfs/dbraw/zinc/71/89/99/658718999.db2.gz LMCCAXVISRIRRW-NSHDSACASA-N 1 1 308.386 0.909 20 5 DCBDMO Cn1ncc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000892489985 658719001 /nfs/dbraw/zinc/71/90/01/658719001.db2.gz LMCCAXVISRIRRW-NSHDSACASA-N 1 1 308.386 0.909 20 5 DCBDMO COc1ccnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001022063679 658814178 /nfs/dbraw/zinc/81/41/78/658814178.db2.gz GOTQJZBFGYJOKI-RDBQEKCUSA-N 1 1 320.349 0.492 20 5 DCBDMO CCn1cc(CC[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC001022063925 658817131 /nfs/dbraw/zinc/81/71/31/658817131.db2.gz PIHTYLDQOPAZTL-XJFOESAGSA-N 1 1 321.381 0.348 20 5 DCBDMO Cc1ncc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC000983652941 661998234 /nfs/dbraw/zinc/99/82/34/661998234.db2.gz FFHVJWYPTMMUAA-FMKGYKFTSA-N 1 1 319.365 0.435 20 5 DCBDMO CNC(=O)c1ccc(N2CC[N@H+](C)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000894891112 662028000 /nfs/dbraw/zinc/02/80/00/662028000.db2.gz YLNKZVFETQHLQA-LLVKDONJSA-N 1 1 308.338 0.067 20 5 DCBDMO CNC(=O)c1ccc(N2CC[N@@H+](C)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000894891112 662028002 /nfs/dbraw/zinc/02/80/02/662028002.db2.gz YLNKZVFETQHLQA-LLVKDONJSA-N 1 1 308.338 0.067 20 5 DCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cccn1 ZINC001029305026 662098728 /nfs/dbraw/zinc/09/87/28/662098728.db2.gz QWOBRNVQDCBOGY-XJFOESAGSA-N 1 1 319.365 0.224 20 5 DCBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1C[N@@H+](C)CCN1C ZINC000896575910 662294478 /nfs/dbraw/zinc/29/44/78/662294478.db2.gz DBWCXKGYBAPGSH-JQWIXIFHSA-N 1 1 309.370 0.297 20 5 DCBDMO C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000896583188 662295727 /nfs/dbraw/zinc/29/57/27/662295727.db2.gz WYRRZNHCTFVIDY-SWLSCSKDSA-N 1 1 320.393 0.888 20 5 DCBDMO C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1CN(C)CCN1C ZINC000896583188 662295729 /nfs/dbraw/zinc/29/57/29/662295729.db2.gz WYRRZNHCTFVIDY-SWLSCSKDSA-N 1 1 320.393 0.888 20 5 DCBDMO C[N@@H+](CCO)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000899736549 663184546 /nfs/dbraw/zinc/18/45/46/663184546.db2.gz JTSKHVXRFGWGHM-UHFFFAOYSA-N 1 1 309.366 0.913 20 5 DCBDMO C[N@H+]1CC[C@@H]1CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000917789881 665144409 /nfs/dbraw/zinc/14/44/09/665144409.db2.gz XXSRGKDOOLYQGE-GFCCVEGCSA-N 1 1 308.338 0.977 20 5 DCBDMO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000921413047 665301617 /nfs/dbraw/zinc/30/16/17/665301617.db2.gz BYIXDHYGBSKBSD-GFCCVEGCSA-N 1 1 313.379 0.761 20 5 DCBDMO C[N@H+]1CC[C@@H]1CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000921413047 665301618 /nfs/dbraw/zinc/30/16/18/665301618.db2.gz BYIXDHYGBSKBSD-GFCCVEGCSA-N 1 1 313.379 0.761 20 5 DCBDMO Cc1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC000996428467 666790475 /nfs/dbraw/zinc/79/04/75/666790475.db2.gz FQQJDAKYIQUBOB-ZIAGYGMSSA-N 1 1 319.365 0.531 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000996428864 666790710 /nfs/dbraw/zinc/79/07/10/666790710.db2.gz JOCTUVGIYVTTKM-ZIAGYGMSSA-N 1 1 322.340 0.967 20 5 DCBDMO CO[C@H]1C[N@@H+](C)[C@@](C)(COC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000861344913 666920107 /nfs/dbraw/zinc/92/01/07/666920107.db2.gz VVOOCRLFQMILIE-DGCLKSJQSA-N 1 1 312.326 0.444 20 5 DCBDMO CO[C@H]1C[N@@H+](C)[C@@](C)(COC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000861349316 666920343 /nfs/dbraw/zinc/92/03/43/666920343.db2.gz RXELYKCYTNANGA-NOZJJQNGSA-N 1 1 312.326 0.594 20 5 DCBDMO Cc1nn(C[N@H+](C)[C@H]2C[C@@H](C(N)=O)C2)c2ncc([N+](=O)[O-])cc12 ZINC000863322215 667128758 /nfs/dbraw/zinc/12/87/58/667128758.db2.gz BULNQOTYDHUQIQ-AOOOYVTPSA-N 1 1 318.337 0.801 20 5 DCBDMO NC(=O)C[NH+]1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000737777866 667632653 /nfs/dbraw/zinc/63/26/53/667632653.db2.gz GOVNGOKUUCSEKU-UHFFFAOYSA-N 1 1 320.349 0.203 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1 ZINC000886830452 667804210 /nfs/dbraw/zinc/80/42/10/667804210.db2.gz RFPWXOBBMUXTPQ-MRVWCRGKSA-N 1 1 310.354 0.653 20 5 DCBDMO CC(C)(CCC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)[N+](=O)[O-] ZINC000889751704 667989142 /nfs/dbraw/zinc/98/91/42/667989142.db2.gz RYFGEPAKMUAIPO-CHWSQXEVSA-N 1 1 313.398 0.880 20 5 DCBDMO C[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000778356408 668898503 /nfs/dbraw/zinc/89/85/03/668898503.db2.gz NLYUMSWQIBKVRF-DOMZBBRYSA-N 1 1 309.366 0.627 20 5 DCBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)C[C@@]1(O)CCOC1 ZINC000930441011 669018141 /nfs/dbraw/zinc/01/81/41/669018141.db2.gz QIUCGTWNCMGUKL-ZBFHGGJFSA-N 1 1 324.377 0.972 20 5 DCBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2C[C@H](CO)[C@H](CO)C2)cc1 ZINC000879694031 669089318 /nfs/dbraw/zinc/08/93/18/669089318.db2.gz OABJZZHEDZLQNW-BETUJISGSA-N 1 1 310.350 0.896 20 5 DCBDMO CC[N@@H+](CC(=O)NC)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000784137650 669190650 /nfs/dbraw/zinc/19/06/50/669190650.db2.gz FMZLWIFCLOSMIV-LLVKDONJSA-N 1 1 311.338 0.402 20 5 DCBDMO CC[N@H+](CC(=O)NC)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000784137650 669190656 /nfs/dbraw/zinc/19/06/56/669190656.db2.gz FMZLWIFCLOSMIV-LLVKDONJSA-N 1 1 311.338 0.402 20 5 DCBDMO O=C1NCC2(CC[NH+](CC[N+](=O)[O-])CC2)Oc2ccccc21 ZINC000932054676 669303918 /nfs/dbraw/zinc/30/39/18/669303918.db2.gz UEYLIKWQRBCFIJ-UHFFFAOYSA-N 1 1 305.334 0.920 20 5 DCBDMO Cn1cc(CN2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c([N+](=O)[O-])n1 ZINC000934277056 669590817 /nfs/dbraw/zinc/59/08/17/669590817.db2.gz YEUZKZKGOQKBGN-OLZOCXBDSA-N 1 1 309.370 0.359 20 5 DCBDMO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000840179580 670453372 /nfs/dbraw/zinc/45/33/72/670453372.db2.gz RTHVWEOGMKJWSM-HNNXBMFYSA-N 1 1 315.333 0.878 20 5 DCBDMO NC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000840179580 670453375 /nfs/dbraw/zinc/45/33/75/670453375.db2.gz RTHVWEOGMKJWSM-HNNXBMFYSA-N 1 1 315.333 0.878 20 5 DCBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CCc2ccnn2C)C1 ZINC000950056280 670489305 /nfs/dbraw/zinc/48/93/05/670489305.db2.gz ZISSNGJOGISYNU-ZIAGYGMSSA-N 1 1 321.381 0.161 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000828958388 671564339 /nfs/dbraw/zinc/56/43/39/671564339.db2.gz DQIGOPSBISATBL-VXGBXAGGSA-N 1 1 307.354 0.795 20 5 DCBDMO C[C@@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H](C)C[N@H+]1CCO ZINC000841456763 671934160 /nfs/dbraw/zinc/93/41/60/671934160.db2.gz LWQLALUBEQRCOH-NEPJUHHUSA-N 1 1 301.387 0.735 20 5 DCBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(F)cn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139138 693709784 /nfs/dbraw/zinc/70/97/84/693709784.db2.gz SETOUIZBJWYPMM-FDYHWXHSSA-N 1 1 308.313 0.623 20 5 DCBDMO Cc1ncc(C[N@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)o1 ZINC001072725228 694657288 /nfs/dbraw/zinc/65/72/88/694657288.db2.gz KRJFDKSGALLKBN-CHWSQXEVSA-N 1 1 320.349 0.683 20 5 DCBDMO Cc1nn(C)cc1C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001670781409 1158001576 /nfs/dbraw/zinc/00/15/76/1158001576.db2.gz JGMMUWARDCQZNA-VXGBXAGGSA-N 1 1 307.354 0.132 20 5 DCBDMO CCC(=O)NCC(=O)NCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001567275188 1160292399 /nfs/dbraw/zinc/29/23/99/1160292399.db2.gz XWHBZHNDPVSYPT-UHFFFAOYSA-N 1 1 322.365 0.669 20 5 DCBDMO CCC(=O)NCC(=O)NCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001567275188 1160292402 /nfs/dbraw/zinc/29/24/02/1160292402.db2.gz XWHBZHNDPVSYPT-UHFFFAOYSA-N 1 1 322.365 0.669 20 5 DCBDMO CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@H]3C[C@H]3[NH3+])c2)CC1 ZINC001578537215 1165050954 /nfs/dbraw/zinc/05/09/54/1165050954.db2.gz QOPPUBZIZMWUDD-NWDGAFQWSA-N 1 1 319.365 0.632 20 5 DCBDMO CNC(=O)[C@@H](NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)C(C)C ZINC001578561227 1165060475 /nfs/dbraw/zinc/06/04/75/1165060475.db2.gz ORURIFJJAYYEHX-SWLSCSKDSA-N 1 1 322.365 0.656 20 5 DCBDMO Cc1cc(C)c(OC(=O)[C@@H](C)N2CC[NH2+]CC2=O)c([N+](=O)[O-])c1 ZINC001579577220 1165351029 /nfs/dbraw/zinc/35/10/29/1165351029.db2.gz MKIVSHDYANLGQB-LLVKDONJSA-N 1 1 321.333 0.937 20 5 DCBDMO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)CC[N@H+]1C ZINC001590175199 1166800635 /nfs/dbraw/zinc/80/06/35/1166800635.db2.gz MPVRDMRYINGRAF-JGVFFNPUSA-N 1 1 318.341 0.862 20 5 DCBDMO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)CC[N@H+]1C ZINC001590175201 1166801550 /nfs/dbraw/zinc/80/15/50/1166801550.db2.gz MPVRDMRYINGRAF-YUMQZZPRSA-N 1 1 318.341 0.862 20 5 DCBDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590213247 1166815200 /nfs/dbraw/zinc/81/52/00/1166815200.db2.gz CWEVBALGIUIPJI-RKDXNWHRSA-N 1 1 304.310 0.730 20 5 DCBDMO CN(C[C@@H]1CCC[N@H+]1C)c1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001591058545 1167097096 /nfs/dbraw/zinc/09/70/96/1167097096.db2.gz UUNFPPJOWRYQKV-JTQLQIEISA-N 1 1 318.341 0.700 20 5 DCBDMO COc1ccc(CNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)cc1[N+](=O)[O-] ZINC001596969930 1167999113 /nfs/dbraw/zinc/99/91/13/1167999113.db2.gz BPFZBJNYKUZRFP-ABAIWWIYSA-N 1 1 323.349 0.675 20 5 DCBDMO C[C@H]1[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001603839959 1169407831 /nfs/dbraw/zinc/40/78/31/1169407831.db2.gz OQTFEBVNFALNGZ-OIBJUYFYSA-N 1 1 304.314 0.674 20 5 DCBDMO Cc1[nH+]ccn1CCNc1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001606099072 1170075582 /nfs/dbraw/zinc/07/55/82/1170075582.db2.gz RZQSWZFARKEJGE-UHFFFAOYSA-N 1 1 315.297 0.787 20 5 DCBDMO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001620435615 1171402244 /nfs/dbraw/zinc/40/22/44/1171402244.db2.gz CIXMVUMOJRSBSW-DGCLKSJQSA-N 1 1 311.294 0.821 20 5 DCBDMO C[C@]1(CO)C[C@@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001620435615 1171402246 /nfs/dbraw/zinc/40/22/46/1171402246.db2.gz CIXMVUMOJRSBSW-DGCLKSJQSA-N 1 1 311.294 0.821 20 5 DCBDMO C[NH+](C)C1CCN(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC001635105956 1171693222 /nfs/dbraw/zinc/69/32/22/1171693222.db2.gz UGGNSQBLWNQGLO-UHFFFAOYSA-N 1 1 310.358 0.074 20 5 DCBDMO Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001640965554 1171901129 /nfs/dbraw/zinc/90/11/29/1171901129.db2.gz PBMGFEGZSGBGST-NSHDSACASA-N 1 1 322.365 0.754 20 5 DCBDMO COC(=O)C12CCC(CC1)[N@@H+]2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001644144688 1171997548 /nfs/dbraw/zinc/99/75/48/1171997548.db2.gz XPTCZFUXIMUYSM-KSGYAGIASA-N 1 1 324.337 0.322 20 5 DCBDMO COC(=O)C12CCC(CC1)[N@H+]2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001644144688 1171997554 /nfs/dbraw/zinc/99/75/54/1171997554.db2.gz XPTCZFUXIMUYSM-KSGYAGIASA-N 1 1 324.337 0.322 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC001648106484 1173066923 /nfs/dbraw/zinc/06/69/23/1173066923.db2.gz HREKJQZHWAAODC-TXEJJXNPSA-N 1 1 323.349 0.374 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC001648106484 1173066930 /nfs/dbraw/zinc/06/69/30/1173066930.db2.gz HREKJQZHWAAODC-TXEJJXNPSA-N 1 1 323.349 0.374 20 5 DCBDMO O=[N+]([O-])c1ccn(CC[NH2+]C2(c3ncccn3)CCOCC2)n1 ZINC001648408121 1173073542 /nfs/dbraw/zinc/07/35/42/1173073542.db2.gz PFKPKELBMUPMDY-UHFFFAOYSA-N 1 1 318.337 0.877 20 5 DCBDMO O=[N+]([O-])c1ccc(NC[C@]2(CO)COCC[NH2+]2)c2ccncc21 ZINC001651384020 1173748168 /nfs/dbraw/zinc/74/81/68/1173748168.db2.gz WLUVOPCKGSWLEF-HNNXBMFYSA-N 1 1 318.333 0.906 20 5 DCBDMO O=[N+]([O-])c1ccc(NC[C@@]2(CO)COCC[NH2+]2)c2ncccc12 ZINC001651383771 1173748315 /nfs/dbraw/zinc/74/83/15/1173748315.db2.gz NCKUWUOEWSASAO-OAHLLOKOSA-N 1 1 318.333 0.906 20 5 DCBDMO Cc1ccc(NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)c(N)c1[N+](=O)[O-] ZINC001653218156 1173783552 /nfs/dbraw/zinc/78/35/52/1173783552.db2.gz VDENLEHCELWPNF-PWSUYJOCSA-N 1 1 319.365 0.812 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@]3(CO)CCC[C@@H]23)c1 ZINC001655627436 1173824553 /nfs/dbraw/zinc/82/45/53/1173824553.db2.gz DOMCLOHYAFYBIJ-BFHYXJOUSA-N 1 1 310.354 0.389 20 5 DCBDMO O=C(NC1(C[NH2+]CCn2cccn2)CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001665921738 1174572995 /nfs/dbraw/zinc/57/29/95/1174572995.db2.gz UEYKAKJBFYWPCU-CHWSQXEVSA-N 1 1 321.381 0.567 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N(CCO)CC[NH2+]Cc1ccccc1 ZINC001733616427 1186370054 /nfs/dbraw/zinc/37/00/54/1186370054.db2.gz VCCUPEORYSVGKR-ZIAGYGMSSA-N 1 1 307.350 0.262 20 5 DCBDMO O=C(NCC1([NH2+]CCOC2CCC2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001733716241 1186412617 /nfs/dbraw/zinc/41/26/17/1186412617.db2.gz HFPHBXAUPBBXPB-CHWSQXEVSA-N 1 1 311.382 0.849 20 5 DCBDMO Cc1nc(C)c(C[NH2+]CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC001753188175 1188527407 /nfs/dbraw/zinc/52/74/07/1188527407.db2.gz LVHHOHMPCIRWEG-GHMZBOCLSA-N 1 1 312.395 0.973 20 5 DCBDMO CN(CC(C)(C)C[NH2+]Cc1nccn1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001755280442 1189069021 /nfs/dbraw/zinc/06/90/21/1189069021.db2.gz HWPYNGRDHZXYAC-VXGBXAGGSA-N 1 1 323.397 0.660 20 5 DCBDMO COc1cc(C)nc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1[N+](=O)[O-] ZINC001164666511 719389955 /nfs/dbraw/zinc/38/99/55/719389955.db2.gz KSJYYYDXNSITLM-PWSUYJOCSA-N 1 1 308.338 0.826 20 5 DCBDMO C[N@@H+]1CCc2c(N[C@H]3CCC(=O)NC3=O)ccc([N+](=O)[O-])c2C1 ZINC001167579232 747403015 /nfs/dbraw/zinc/40/30/15/747403015.db2.gz YAEXJKAEEKAWEC-LBPRGKRZSA-N 1 1 318.333 0.800 20 5 DCBDMO C[N@H+]1CCc2c(N[C@H]3CCC(=O)NC3=O)ccc([N+](=O)[O-])c2C1 ZINC001167579232 747403019 /nfs/dbraw/zinc/40/30/19/747403019.db2.gz YAEXJKAEEKAWEC-LBPRGKRZSA-N 1 1 318.333 0.800 20 5 DCBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@H](O)C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001170315291 762608342 /nfs/dbraw/zinc/60/83/42/762608342.db2.gz WQFHXTLLWHQBPY-CYZMBNFOSA-N 1 1 310.350 0.962 20 5 DCBDMO COc1ccc(C[C@@H](C)[N@H+]2C[C@H](O)C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001170315292 762608703 /nfs/dbraw/zinc/60/87/03/762608703.db2.gz WQFHXTLLWHQBPY-RAIGVLPGSA-N 1 1 310.350 0.962 20 5 DCBDMO Cn1nccc1CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086363140 760101355 /nfs/dbraw/zinc/10/13/55/760101355.db2.gz DIZPAAYJIIXMPP-HBJVGIJOSA-N 1 1 321.381 0.112 20 5 DCBDMO Cc1nn(C)cc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086363309 760101624 /nfs/dbraw/zinc/10/16/24/760101624.db2.gz NKDXMRYJFQINBN-FMKGYKFTSA-N 1 1 321.381 0.378 20 5 DCBDMO O=C1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCN1C1CCOCC1 ZINC001169036530 760554895 /nfs/dbraw/zinc/55/48/95/760554895.db2.gz PCOLQKZHGCNTPW-OCCSQVGLSA-N 1 1 311.382 0.755 20 5 DCBDMO O=C1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCN1C1CCOCC1 ZINC001169036530 760554898 /nfs/dbraw/zinc/55/48/98/760554898.db2.gz PCOLQKZHGCNTPW-OCCSQVGLSA-N 1 1 311.382 0.755 20 5 DCBDMO CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169025860 760560505 /nfs/dbraw/zinc/56/05/05/760560505.db2.gz ZJJQUGLFTNSMKC-QVHKTLOISA-N 1 1 311.382 0.659 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)C1(C)CC=CC1 ZINC001133327874 764925152 /nfs/dbraw/zinc/92/51/52/764925152.db2.gz DIZJUFHYVWDKPH-UHFFFAOYSA-N 1 1 307.354 0.890 20 5 DCBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)n1 ZINC001135244447 765849708 /nfs/dbraw/zinc/84/97/08/765849708.db2.gz ABFBNKQDFIXKPG-HBNTYKKESA-N 1 1 307.354 0.881 20 5 DCBDMO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC001116422880 765869796 /nfs/dbraw/zinc/86/97/96/765869796.db2.gz LRMFWYUCHAJLHB-JTQLQIEISA-N 1 1 323.353 0.549 20 5 DCBDMO Cc1nn(C)c(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC001116487213 765875768 /nfs/dbraw/zinc/87/57/68/765875768.db2.gz XMWLQSUMXAWFKX-GHMZBOCLSA-N 1 1 307.354 0.993 20 5 DCBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001144204636 766828597 /nfs/dbraw/zinc/82/85/97/766828597.db2.gz STDSJBHGSZSKDD-UHFFFAOYSA-N 1 1 324.385 0.416 20 5 DCBDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001144204636 766828602 /nfs/dbraw/zinc/82/86/02/766828602.db2.gz STDSJBHGSZSKDD-UHFFFAOYSA-N 1 1 324.385 0.416 20 5 DCBDMO C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@@H]1CN(C)CCN1C ZINC001120873073 767282972 /nfs/dbraw/zinc/28/29/72/767282972.db2.gz CJMGSGXKCGVPLM-QWRGUYRKSA-N 1 1 319.369 0.684 20 5 DCBDMO C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001120873073 767282976 /nfs/dbraw/zinc/28/29/76/767282976.db2.gz CJMGSGXKCGVPLM-QWRGUYRKSA-N 1 1 319.369 0.684 20 5 DCBDMO C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@@H]1CN(C)CC[N@H+]1C ZINC001120873073 767282978 /nfs/dbraw/zinc/28/29/78/767282978.db2.gz CJMGSGXKCGVPLM-QWRGUYRKSA-N 1 1 319.369 0.684 20 5 DCBDMO C[N@@H+](CCCNC(=O)CNC(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC001233705871 769430285 /nfs/dbraw/zinc/43/02/85/769430285.db2.gz OKSXZAZKLZNNAI-UHFFFAOYSA-N 1 1 323.353 0.201 20 5 DCBDMO Cc1ccc(CNC(=O)NCC[N@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC001234581126 769693835 /nfs/dbraw/zinc/69/38/35/769693835.db2.gz ASAATGCZCQJFEC-ZDUSSCGKSA-N 1 1 322.365 0.769 20 5 DCBDMO C[C@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC001154043168 770055135 /nfs/dbraw/zinc/05/51/35/770055135.db2.gz RYJNFXPVMUYSGQ-VIFPVBQESA-N 1 1 305.338 0.952 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])cnc3N)[C@H]2C1 ZINC001181441742 771291876 /nfs/dbraw/zinc/29/18/76/771291876.db2.gz IOAYLPBIKWAYRI-UWJYBYFXSA-N 1 1 305.338 0.642 20 5 DCBDMO COc1ncccc1C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157766847 771666158 /nfs/dbraw/zinc/66/61/58/771666158.db2.gz ASDCIWTWAALBHM-VXGBXAGGSA-N 1 1 308.338 0.351 20 5 DCBDMO O=C(NCCC[NH2+]CCOCC(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC001157775030 771670571 /nfs/dbraw/zinc/67/05/71/771670571.db2.gz ILRWSORHWVUCSJ-RKDXNWHRSA-N 1 1 313.276 0.326 20 5 DCBDMO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cnn[nH]1 ZINC001161691872 772266999 /nfs/dbraw/zinc/26/69/99/772266999.db2.gz ZQLTZAXOVOTEIY-UHFFFAOYSA-N 1 1 304.310 0.623 20 5 DCBDMO CN1CC[NH+](CCCNc2c(F)c([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001161703270 772269222 /nfs/dbraw/zinc/26/92/22/772269222.db2.gz BDLFBAZUSDSFBL-UHFFFAOYSA-N 1 1 313.333 0.417 20 5 DCBDMO [NH3+][C@@H]1NCN(c2ccc3ccc4cccnc4c3n2)[C@@H]2NCN[C@H]21 ZINC001162434970 772371859 /nfs/dbraw/zinc/37/18/59/772371859.db2.gz AXIMDNMVAFQOLC-BBWFWOEESA-N 1 1 321.388 0.280 20 5 DCBDMO Nc1nc(N[C@@H]2CCC[N@H+]3CCSC[C@H]23)ncc1[N+](=O)[O-] ZINC001164124248 772614439 /nfs/dbraw/zinc/61/44/39/772614439.db2.gz GUKIZXQROBOBSA-PSASIEDQSA-N 1 1 310.383 0.959 20 5 DCBDMO O=C(NCCN1CCC([NH2+]CCCF)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001484419280 943364096 /nfs/dbraw/zinc/36/40/96/943364096.db2.gz NEMWSDCDLVUCKS-CHWSQXEVSA-N 1 1 316.377 0.181 20 5 DCBDMO C[N@H+](CCNC(=O)Cn1cncn1)Cc1cccc([N+](=O)[O-])c1 ZINC001317470744 944989718 /nfs/dbraw/zinc/98/97/18/944989718.db2.gz UQLOODZSLKPYBH-UHFFFAOYSA-N 1 1 318.337 0.435 20 5 DCBDMO C[N@@H+](CCNC(=O)Cn1cncn1)Cc1cccc([N+](=O)[O-])c1 ZINC001317470744 944989728 /nfs/dbraw/zinc/98/97/28/944989728.db2.gz UQLOODZSLKPYBH-UHFFFAOYSA-N 1 1 318.337 0.435 20 5 DCBDMO O=C1CC[NH2+]C[C@@H]1c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001249187675 945625001 /nfs/dbraw/zinc/62/50/01/945625001.db2.gz SHQYTALXYZJIGT-ZETCQYMHSA-N 1 1 307.241 0.825 20 5 DCBDMO C[C@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC001253411499 946119085 /nfs/dbraw/zinc/11/90/85/946119085.db2.gz IXNALSDFXYSIAR-SNVBAGLBSA-N 1 1 308.338 0.355 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001334111432 952241839 /nfs/dbraw/zinc/24/18/39/952241839.db2.gz QJRLDPISKOIETQ-VXGBXAGGSA-N 1 1 307.354 0.843 20 5 DCBDMO CCn1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001276002528 952608968 /nfs/dbraw/zinc/60/89/68/952608968.db2.gz ULIAWMBTLKJICO-CHWSQXEVSA-N 1 1 309.370 0.506 20 5 DCBDMO C[C@@H](c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1C)[N+](=O)[O-] ZINC001338056442 952955394 /nfs/dbraw/zinc/95/53/94/952955394.db2.gz ISBJCLXSDKBLTE-RYUDHWBXSA-N 1 1 324.385 0.311 20 5 DCBDMO O=[N+]([O-])c1cccc2ncnc(NC[C@]3(CO)COCC[NH2+]3)c21 ZINC001307201361 960145082 /nfs/dbraw/zinc/14/50/82/960145082.db2.gz WCMCURMRMXBGFS-AWEZNQCLSA-N 1 1 319.321 0.301 20 5 DCBDMO O=c1cc([C@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)[nH]c(=O)[nH]1 ZINC001307891446 960164107 /nfs/dbraw/zinc/16/41/07/960164107.db2.gz RYCYUEPWYQPUIL-VIFPVBQESA-N 1 1 320.309 0.482 20 5 DCBDMO NC(=O)c1ccc(C[N@@H+]2C[C@H](CCO)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC001308161275 960167553 /nfs/dbraw/zinc/16/75/53/960167553.db2.gz BIYCPZXRULPHFR-AAEUAGOBSA-N 1 1 323.349 0.116 20 5 DCBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001464229796 1015891281 /nfs/dbraw/zinc/89/12/81/1015891281.db2.gz CWERPHCXZQQJGC-NEPJUHHUSA-N 1 1 320.349 0.500 20 5 DCBDMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ncccc1C ZINC001492950517 1003624821 /nfs/dbraw/zinc/62/48/21/1003624821.db2.gz UGOYYJJDXXBSNW-TZMCWYRMSA-N 1 1 306.366 0.993 20 5 DCBDMO COc1c(C(=O)N2CC([NH2+]C3COC3)C2)cccc1[N+](=O)[O-] ZINC001456518675 1011320924 /nfs/dbraw/zinc/32/09/24/1011320924.db2.gz PCRYVQQUEJCOSB-UHFFFAOYSA-N 1 1 307.306 0.416 20 5 DCBDMO CC1(C)[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H]1[NH+]1CCOCC1 ZINC001557319325 1012272277 /nfs/dbraw/zinc/27/22/77/1012272277.db2.gz ZODZZHNOUVSHPR-GHMZBOCLSA-N 1 1 323.353 0.547 20 5 DCBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[NH+](CCCCCO)CC1 ZINC001557752029 1012299526 /nfs/dbraw/zinc/29/95/26/1012299526.db2.gz SXOOBCSYEUOSTI-UHFFFAOYSA-N 1 1 311.342 0.238 20 5 DCBDMO Cc1nc(N2CC[C@H](C[NH+]3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC001559119223 1012407958 /nfs/dbraw/zinc/40/79/58/1012407958.db2.gz LFXBBKGLYOJUEO-GFCCVEGCSA-N 1 1 307.354 0.852 20 5 DCBDMO C[N@H+]1CCCN(CCCNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC001542939114 1012494473 /nfs/dbraw/zinc/49/44/73/1012494473.db2.gz ZTSHOWOAWPWEPQ-UHFFFAOYSA-N 1 1 310.358 0.075 20 5 DCBDMO CN1CCC[N@H+](CCCNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC001542939114 1012494488 /nfs/dbraw/zinc/49/44/88/1012494488.db2.gz ZTSHOWOAWPWEPQ-UHFFFAOYSA-N 1 1 310.358 0.075 20 5 DCBDMO CN1CCC[N@@H+](CCCNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC001542939114 1012494499 /nfs/dbraw/zinc/49/44/99/1012494499.db2.gz ZTSHOWOAWPWEPQ-UHFFFAOYSA-N 1 1 310.358 0.075 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CCN1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001460902260 1012988931 /nfs/dbraw/zinc/98/89/31/1012988931.db2.gz QOBVLBMPICTNGB-AAEUAGOBSA-N 1 1 310.329 0.485 20 5 DCBDMO O=C(NCC1([NH2+]C/C=C/Cl)CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001500570691 1018497095 /nfs/dbraw/zinc/49/70/95/1018497095.db2.gz JOMPHKHDFDZDJW-HOXXMDGGSA-N 1 1 317.773 0.659 20 5 DCBDMO O=[N+]([O-])c1ccc(CN2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000172833275 198155354 /nfs/dbraw/zinc/15/53/54/198155354.db2.gz NOZQMPHUUOQOKP-UHFFFAOYSA-N 1 1 310.310 0.613 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000174161773 198300181 /nfs/dbraw/zinc/30/01/81/198300181.db2.gz QUELXWFFANBEIC-ZDUSSCGKSA-N 1 1 309.322 0.550 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000174161773 198300182 /nfs/dbraw/zinc/30/01/82/198300182.db2.gz QUELXWFFANBEIC-ZDUSSCGKSA-N 1 1 309.322 0.550 20 5 DCBDMO C[N@@H+](CC(=O)NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCSC1 ZINC000159755560 291236478 /nfs/dbraw/zinc/23/64/78/291236478.db2.gz MKHXSGARVXDSHU-SNVBAGLBSA-N 1 1 313.383 0.345 20 5 DCBDMO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)N1CCNCC1 ZINC000566088005 291268173 /nfs/dbraw/zinc/26/81/73/291268173.db2.gz KGZIDXKJRQUODJ-ZDUSSCGKSA-N 1 1 320.393 0.937 20 5 DCBDMO C[C@@H]1C[NH2+]CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420425533 240027339 /nfs/dbraw/zinc/02/73/39/240027339.db2.gz UUMIKZLTBROCKW-LLVKDONJSA-N 1 1 313.379 0.761 20 5 DCBDMO [NH3+]CC[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(F)F ZINC000420454872 240036030 /nfs/dbraw/zinc/03/60/30/240036030.db2.gz FEAPNENEEJOGTL-SNVBAGLBSA-N 1 1 323.321 0.997 20 5 DCBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000420823607 240063354 /nfs/dbraw/zinc/06/33/54/240063354.db2.gz VMSLMOKHFDJZRG-NSHDSACASA-N 1 1 310.358 0.527 20 5 DCBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000264798219 204164066 /nfs/dbraw/zinc/16/40/66/204164066.db2.gz URVYVGOCIONYOF-UHFFFAOYSA-N 1 1 309.370 0.632 20 5 DCBDMO CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CC(=O)N(C)C1=O ZINC000282538360 217072446 /nfs/dbraw/zinc/07/24/46/217072446.db2.gz RFYOOCZUSGAULF-SNVBAGLBSA-N 1 1 309.326 0.261 20 5 DCBDMO CC[N@@H+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000288401713 220133965 /nfs/dbraw/zinc/13/39/65/220133965.db2.gz LFVHVAOGAJFIPM-NSHDSACASA-N 1 1 308.338 0.309 20 5 DCBDMO CC[N@H+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000288401713 220133968 /nfs/dbraw/zinc/13/39/68/220133968.db2.gz LFVHVAOGAJFIPM-NSHDSACASA-N 1 1 308.338 0.309 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](CCO)CCCO ZINC000109798473 194287050 /nfs/dbraw/zinc/28/70/50/194287050.db2.gz JKTTXDZZFSZVQA-UHFFFAOYSA-N 1 1 311.338 0.518 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CCO)CCCO ZINC000109798473 194287051 /nfs/dbraw/zinc/28/70/51/194287051.db2.gz JKTTXDZZFSZVQA-UHFFFAOYSA-N 1 1 311.338 0.518 20 5 DCBDMO CC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000272936217 210323416 /nfs/dbraw/zinc/32/34/16/210323416.db2.gz OLJGKTYGKHNTFL-UHFFFAOYSA-N 1 1 324.337 0.610 20 5 DCBDMO C[C@@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1O ZINC000351944892 254383281 /nfs/dbraw/zinc/38/32/81/254383281.db2.gz NNMJSBGHCZMBFO-QMTHXVAHSA-N 1 1 305.334 0.797 20 5 DCBDMO C[C@@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1O ZINC000351944892 254383283 /nfs/dbraw/zinc/38/32/83/254383283.db2.gz NNMJSBGHCZMBFO-QMTHXVAHSA-N 1 1 305.334 0.797 20 5 DCBDMO Cc1n[nH]c(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000330779646 533667779 /nfs/dbraw/zinc/66/77/79/533667779.db2.gz WJNUPOITDRFUCX-JTQLQIEISA-N 1 1 324.385 0.240 20 5 DCBDMO CCn1cnc2c(c1=O)CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000285698160 131194772 /nfs/dbraw/zinc/19/47/72/131194772.db2.gz COQINZYNEISUAK-UHFFFAOYSA-N 1 1 318.337 0.426 20 5 DCBDMO NC(=O)N[C@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000270677960 395796203 /nfs/dbraw/zinc/79/62/03/395796203.db2.gz MHTNRJHRYIFIQV-CMPLNLGQSA-N 1 1 324.337 0.077 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1COCC[NH2+]1 ZINC000235775857 395892561 /nfs/dbraw/zinc/89/25/61/395892561.db2.gz YFSFLQPBVRXNBQ-SNVBAGLBSA-N 1 1 315.351 0.170 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](O)C[C@H]1CO ZINC000245708397 395933867 /nfs/dbraw/zinc/93/38/67/395933867.db2.gz OPSUUFBWIYYJNA-QWHCGFSZSA-N 1 1 323.349 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O=C(NCCN1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000297045492 415947104 /nfs/dbraw/zinc/94/71/04/415947104.db2.gz TVLKJIZPRLEHAF-UHFFFAOYSA-N 1 1 309.322 0.487 20 5 DCBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000337296486 415939045 /nfs/dbraw/zinc/93/90/45/415939045.db2.gz JNSSGGJMIQRUMK-LBPRGKRZSA-N 1 1 306.322 0.744 20 5 DCBDMO CCC[N@@H+](CC(=O)OC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173549417 416061010 /nfs/dbraw/zinc/06/10/10/416061010.db2.gz WWQGDTWLBABATR-NSHDSACASA-N 1 1 300.315 0.037 20 5 DCBDMO CCC[N@H+](CC(=O)OC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173549417 416061013 /nfs/dbraw/zinc/06/10/13/416061013.db2.gz WWQGDTWLBABATR-NSHDSACASA-N 1 1 300.315 0.037 20 5 DCBDMO CNC(=O)CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000170792144 416032599 /nfs/dbraw/zinc/03/25/99/416032599.db2.gz GTUGKCRLETXYCV-JTQLQIEISA-N 1 1 308.338 0.990 20 5 DCBDMO CC[NH+]1CCN(CCCCNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000345443307 416097156 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WWGVFCSETICXJU-VXGBXAGGSA-N 1 1 320.349 0.683 20 5 DCBDMO O=C(N[C@H]1C[C@H](C[NH2+]CCOC2CCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001571113525 1162673544 /nfs/dbraw/zinc/67/35/44/1162673544.db2.gz GOSXEMVOJFQSQP-HBJVGIJOSA-N 1 1 311.382 0.705 20 5 DCBDMO C[C@@H]1CN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C[C@@H](CO)O1 ZINC001576759814 1164453001 /nfs/dbraw/zinc/45/30/01/1164453001.db2.gz DTZNUBPGJCHASN-RIEGTJTDSA-N 1 1 323.349 0.377 20 5 DCBDMO C[N@H+]1C[C@@H]2CCN(C(=O)[C@@](C)(N)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001578523543 1165041088 /nfs/dbraw/zinc/04/10/88/1165041088.db2.gz MNAINYPOYLVXQC-PEYYIBSZSA-N 1 1 318.377 0.931 20 5 DCBDMO CC[N@@H+](C)[C@H]1CCN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001590678439 1166968204 /nfs/dbraw/zinc/96/82/04/1166968204.db2.gz SUXHDVYPBNWOMX-JTQLQIEISA-N 1 1 318.341 0.700 20 5 DCBDMO C[N@@H+]1C[C@H]2CN(c3cccc(-c4nn[nH]n4)c3[N+](=O)[O-])C[C@H]2C1 ZINC001591196073 1167144294 /nfs/dbraw/zinc/14/42/94/1167144294.db2.gz CESGXBLZTXOKQR-AOOOYVTPSA-N 1 1 315.337 0.773 20 5 DCBDMO C[C@@H]1C[C@H](O)C[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001591757871 1167369123 /nfs/dbraw/zinc/36/91/23/1167369123.db2.gz XMDROGBNJVBBQI-ZJUUUORDSA-N 1 1 318.337 0.978 20 5 DCBDMO C[C@]1(O)CC[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001603820271 1169403643 /nfs/dbraw/zinc/40/36/43/1169403643.db2.gz LMEJXYAPIAHMET-ZDUSSCGKSA-N 1 1 304.310 0.732 20 5 DCBDMO C[C@H]1[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001603839961 1169407919 /nfs/dbraw/zinc/40/79/19/1169407919.db2.gz OQTFEBVNFALNGZ-XVKPBYJWSA-N 1 1 304.314 0.674 20 5 DCBDMO CO[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001605151075 1169848008 /nfs/dbraw/zinc/84/80/08/1169848008.db2.gz IXSDETQXDOGCAO-CMPLNLGQSA-N 1 1 320.309 0.278 20 5 DCBDMO CC1(C)CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC001625329320 1171469987 /nfs/dbraw/zinc/46/99/87/1171469987.db2.gz PPUINYDUSPMDQH-UHFFFAOYSA-N 1 1 323.353 0.101 20 5 DCBDMO CC1(C)CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC001625329320 1171469991 /nfs/dbraw/zinc/46/99/91/1171469991.db2.gz PPUINYDUSPMDQH-UHFFFAOYSA-N 1 1 323.353 0.101 20 5 DCBDMO Nc1ncc(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)cc1[N+](=O)[O-] ZINC001635741849 1171712327 /nfs/dbraw/zinc/71/23/27/1171712327.db2.gz ZMHSFMZYUSHJJK-WDEREUQCSA-N 1 1 323.328 0.830 20 5 DCBDMO CC(C)(O)C[N@H+]1CC[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC001643036338 1171963451 /nfs/dbraw/zinc/96/34/51/1171963451.db2.gz HLRNTSLTQJRIMY-VIFPVBQESA-N 1 1 323.353 0.346 20 5 DCBDMO COC[C@]1(CO)CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001643116754 1171966685 /nfs/dbraw/zinc/96/66/85/1171966685.db2.gz CJIDQPORJCNLBI-LSDHHAIUSA-N 1 1 310.350 0.959 20 5 DCBDMO Nc1ccc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)cc1[N+](=O)[O-] ZINC001644702429 1172016693 /nfs/dbraw/zinc/01/66/93/1172016693.db2.gz CAKHLCVBYOBBHZ-NWDGAFQWSA-N 1 1 320.349 0.458 20 5 DCBDMO O=C(CC[N@H+]1CC[C@@H](O)[C@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC001654751547 1173811048 /nfs/dbraw/zinc/81/10/48/1173811048.db2.gz GYTXXNIGLPBRCI-SMDDNHRTSA-N 1 1 323.349 0.599 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](CCO)CC2)c1 ZINC001654767415 1173811116 /nfs/dbraw/zinc/81/11/16/1173811116.db2.gz QVUBTSNPAWJDLC-TZMCWYRMSA-N 1 1 312.370 0.637 20 5 DCBDMO CCOC(=O)[C@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001654956915 1173813816 /nfs/dbraw/zinc/81/38/16/1173813816.db2.gz XUVJQOMPMAWMHH-JQWIXIFHSA-N 1 1 312.326 0.037 20 5 DCBDMO CNC(=O)C[N@@H+]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001655645141 1173824024 /nfs/dbraw/zinc/82/40/24/1173824024.db2.gz PRUAYIYRAGIOJX-UHFFFAOYSA-N 1 1 324.356 0.988 20 5 DCBDMO CNC(=O)C[N@H+]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001655645141 1173824028 /nfs/dbraw/zinc/82/40/28/1173824028.db2.gz PRUAYIYRAGIOJX-UHFFFAOYSA-N 1 1 324.356 0.988 20 5 DCBDMO Cc1c(NC(=O)CC[N@H+]2C[C@H](O)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC001658943455 1173928063 /nfs/dbraw/zinc/92/80/63/1173928063.db2.gz XJTMTAPXJONVGY-FZMZJTMJSA-N 1 1 323.349 0.517 20 5 DCBDMO C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCc1ccns1 ZINC001660129740 1173948677 /nfs/dbraw/zinc/94/86/77/1173948677.db2.gz XKODVYVLDZKUNK-VXGBXAGGSA-N 1 1 312.395 0.789 20 5 DCBDMO C[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCc1ccns1 ZINC001660129740 1173948681 /nfs/dbraw/zinc/94/86/81/1173948681.db2.gz XKODVYVLDZKUNK-VXGBXAGGSA-N 1 1 312.395 0.789 20 5 DCBDMO C[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCc1ccns1 ZINC001660129740 1173948685 /nfs/dbraw/zinc/94/86/85/1173948685.db2.gz XKODVYVLDZKUNK-VXGBXAGGSA-N 1 1 312.395 0.789 20 5 DCBDMO COc1c(O)ccc(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)c1[N+](=O)[O-] ZINC001665502221 1174527936 /nfs/dbraw/zinc/52/79/36/1174527936.db2.gz ONYPBFFUDGJOHH-PHIMTYICSA-N 1 1 312.322 0.342 20 5 DCBDMO COc1c(O)ccc(C[N@H+]2C[C@H](CO)[C@H](CO)C2)c1[N+](=O)[O-] ZINC001665502221 1174527940 /nfs/dbraw/zinc/52/79/40/1174527940.db2.gz ONYPBFFUDGJOHH-PHIMTYICSA-N 1 1 312.322 0.342 20 5 DCBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001668583797 1174811262 /nfs/dbraw/zinc/81/12/62/1174811262.db2.gz FSZIOJPFWOJPQE-LLVKDONJSA-N 1 1 321.337 0.003 20 5 DCBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001668583797 1174811265 /nfs/dbraw/zinc/81/12/65/1174811265.db2.gz FSZIOJPFWOJPQE-LLVKDONJSA-N 1 1 321.337 0.003 20 5 DCBDMO COc1ccc(NC(=O)NCC[N@@H+](C)CCO)cc1[N+](=O)[O-] ZINC001669625764 1174939673 /nfs/dbraw/zinc/93/96/73/1174939673.db2.gz BUYRRQLZGZAFNN-UHFFFAOYSA-N 1 1 312.326 0.649 20 5 DCBDMO COc1ccc(NC(=O)NCC[N@@H+](C)CCO)c([N+](=O)[O-])c1 ZINC001673750273 1175231091 /nfs/dbraw/zinc/23/10/91/1175231091.db2.gz ZZPKOFNIVLADJK-UHFFFAOYSA-N 1 1 312.326 0.649 20 5 DCBDMO COc1ccc(C[N@@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001690939538 1177357470 /nfs/dbraw/zinc/35/74/70/1177357470.db2.gz CONBEAYPXJNJDF-ZIAGYGMSSA-N 1 1 307.350 0.908 20 5 DCBDMO COc1ccc(C[N@H+](C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001690939538 1177357476 /nfs/dbraw/zinc/35/74/76/1177357476.db2.gz CONBEAYPXJNJDF-ZIAGYGMSSA-N 1 1 307.350 0.908 20 5 DCBDMO COc1ccc(C[N@@H+](C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001690939538 1177357481 /nfs/dbraw/zinc/35/74/81/1177357481.db2.gz CONBEAYPXJNJDF-ZIAGYGMSSA-N 1 1 307.350 0.908 20 5 DCBDMO O=C(NCC=CC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cnn[nH]1 ZINC001716314705 1182326177 /nfs/dbraw/zinc/32/61/77/1182326177.db2.gz PEVMRBMQORPXHY-UPHRSURJSA-N 1 1 316.321 0.789 20 5 DCBDMO Cn1nccc1CC[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001724785638 1184556738 /nfs/dbraw/zinc/55/67/38/1184556738.db2.gz ITRJKUDNLMBQIX-CHWSQXEVSA-N 1 1 321.381 0.256 20 5 DCBDMO C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(CO)cc1 ZINC001731770285 1185477322 /nfs/dbraw/zinc/47/73/22/1185477322.db2.gz QSHVGPCBHBYDSN-ZIAGYGMSSA-N 1 1 307.350 0.392 20 5 DCBDMO C[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccc(CO)cc1 ZINC001731770285 1185477323 /nfs/dbraw/zinc/47/73/23/1185477323.db2.gz QSHVGPCBHBYDSN-ZIAGYGMSSA-N 1 1 307.350 0.392 20 5 DCBDMO C[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccc(CO)cc1 ZINC001731770285 1185477324 /nfs/dbraw/zinc/47/73/24/1185477324.db2.gz QSHVGPCBHBYDSN-ZIAGYGMSSA-N 1 1 307.350 0.392 20 5 DCBDMO CCCCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001755145332 1189035382 /nfs/dbraw/zinc/03/53/82/1189035382.db2.gz KBLQRNMCRSCBPF-HUUCEWRRSA-N 1 1 324.425 0.670 20 5 DCBDMO C[N@H+]1CCO[C@H]2CN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])C[C@@H]21 ZINC001164668719 719407569 /nfs/dbraw/zinc/40/75/69/719407569.db2.gz KBBVKCWAEKDOGP-UWVGGRQHSA-N 1 1 314.729 0.401 20 5 DCBDMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ncc([N+](=O)[O-])cc1N ZINC001164923171 721877088 /nfs/dbraw/zinc/87/70/88/721877088.db2.gz JAMXRZABGYKYCQ-KBPBESRZSA-N 1 1 320.397 0.787 20 5 DCBDMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ncc([N+](=O)[O-])cc1N ZINC001164923171 721877089 /nfs/dbraw/zinc/87/70/89/721877089.db2.gz JAMXRZABGYKYCQ-KBPBESRZSA-N 1 1 320.397 0.787 20 5 DCBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165037032 721913536 /nfs/dbraw/zinc/91/35/36/721913536.db2.gz FEQJJIRLOBZUMP-ZDUSSCGKSA-N 1 1 322.365 0.838 20 5 DCBDMO Cc1cc(CC(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)no1 ZINC001124999796 751775443 /nfs/dbraw/zinc/77/54/43/751775443.db2.gz ZGBSJMDMXUZUBJ-UHFFFAOYSA-N 1 1 322.325 0.073 20 5 DCBDMO CS(=O)(=O)c1ccc(-n2cnc(C[NH3+])cc2=N)c([N+](=O)[O-])c1 ZINC001167362026 747133742 /nfs/dbraw/zinc/13/37/42/747133742.db2.gz KFJDVMUDETWTLO-UHFFFAOYSA-N 1 1 323.334 0.122 20 5 DCBDMO CC(=O)NCCC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC001096243062 754504799 /nfs/dbraw/zinc/50/47/99/754504799.db2.gz MMLSURSZMYPEBV-UHFFFAOYSA-N 1 1 321.381 0.946 20 5 DCBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@H+](C)[C@H](CO)C1 ZINC000828725302 759083512 /nfs/dbraw/zinc/08/35/12/759083512.db2.gz STHYOSUUWSDIOJ-FZMZJTMJSA-N 1 1 322.365 0.530 20 5 DCBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000828725302 759083518 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0.890 20 5 DCBDMO O=C(NC1CC1)[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC001116209416 765850334 /nfs/dbraw/zinc/85/03/34/765850334.db2.gz MYDJLWNVAWZNCJ-LLVKDONJSA-N 1 1 307.354 0.782 20 5 DCBDMO Cc1[nH+]ccn1CCCOC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001116432400 765870152 /nfs/dbraw/zinc/87/01/52/765870152.db2.gz ZJHXSLCFGMCHTO-UHFFFAOYSA-N 1 1 320.305 0.895 20 5 DCBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC001138061489 766416740 /nfs/dbraw/zinc/41/67/40/766416740.db2.gz QWENQTYOPNXZFE-AWEZNQCLSA-N 1 1 311.313 0.839 20 5 DCBDMO Cc1c[nH+]cn1CC(=O)NCCNc1ccc([N+](=O)[O-])cn1 ZINC001094008647 768807632 /nfs/dbraw/zinc/80/76/32/768807632.db2.gz SERQVVHAFXMCEU-UHFFFAOYSA-N 1 1 304.310 0.723 20 5 DCBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C)C[C@H](O)CO)c1F ZINC001173186287 769556685 /nfs/dbraw/zinc/55/66/85/769556685.db2.gz PKWQHLSGVFTHAQ-ZJUUUORDSA-N 1 1 316.329 0.959 20 5 DCBDMO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCS(N)(=O)=O ZINC001175869212 769984407 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NS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001193742503 773104369 /nfs/dbraw/zinc/10/43/69/773104369.db2.gz CHCSDSIXRRIJNK-JTQLQIEISA-N 1 1 314.367 0.490 20 5 DCBDMO CCOC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1O[C@@H]1CC[N@@H+](C)C1 ZINC001226307287 775797140 /nfs/dbraw/zinc/79/71/40/775797140.db2.gz HURPUDABPILKCN-MRVPVSSYSA-N 1 1 311.294 0.955 20 5 DCBDMO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc(Cl)nc2nc[nH]c21 ZINC001228510809 776092115 /nfs/dbraw/zinc/09/21/15/776092115.db2.gz XMUYUJUNYOKVMF-SSDOTTSWSA-N 1 1 314.753 0.369 20 5 DCBDMO NC(=O)CC(=O)NC/C=C/C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001482995719 941765437 /nfs/dbraw/zinc/76/54/37/941765437.db2.gz YQBHJONGPGVUDA-OWOJBTEDSA-N 1 1 312.351 0.294 20 5 DCBDMO C[C@@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)[C@H]1C[N@H+](C)CCO1 ZINC001137379974 943284010 /nfs/dbraw/zinc/28/40/10/943284010.db2.gz WYDZBVFGZSTYEE-RNFRBKRXSA-N 1 1 317.733 0.420 20 5 DCBDMO C[C@@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)[C@H]1C[N@@H+](C)CCO1 ZINC001137379974 943284017 /nfs/dbraw/zinc/28/40/17/943284017.db2.gz WYDZBVFGZSTYEE-RNFRBKRXSA-N 1 1 317.733 0.420 20 5 DCBDMO CC(C)=CC[NH2+]C1CCN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001484419474 943364037 /nfs/dbraw/zinc/36/40/37/943364037.db2.gz UKQUASKVIMCPNA-HUUCEWRRSA-N 1 1 324.425 0.788 20 5 DCBDMO Cc1nn(C)cc1C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001484634986 943482823 /nfs/dbraw/zinc/48/28/23/943482823.db2.gz RHXULXRUOJSPND-CHWSQXEVSA-N 1 1 321.381 0.522 20 5 DCBDMO NC(=O)CN1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254603864 946414027 /nfs/dbraw/zinc/41/40/27/946414027.db2.gz RDRIHYXMMIJBRD-AWEZNQCLSA-N 1 1 304.350 0.165 20 5 DCBDMO Nc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CCCO)cc1[N+](=O)[O-] ZINC001324466959 947433102 /nfs/dbraw/zinc/43/31/02/947433102.db2.gz KMKTVRJKXMIWKR-GFCCVEGCSA-N 1 1 322.365 0.754 20 5 DCBDMO CC1(C)CC(C[NH2+]CCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001326023964 948023892 /nfs/dbraw/zinc/02/38/92/948023892.db2.gz QXDLCNYUNWIEDN-CHWSQXEVSA-N 1 1 313.398 0.498 20 5 DCBDMO CNC(=O)c1ccc(N(C)CC[N@@H+](C)CCO)c([N+](=O)[O-])c1 ZINC001334286904 952279985 /nfs/dbraw/zinc/27/99/85/952279985.db2.gz HPJKXQCPYKTOFY-UHFFFAOYSA-N 1 1 310.354 0.315 20 5 DCBDMO COC(=O)[C@H]1C[NH+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C(=O)OC ZINC001335582914 952560823 /nfs/dbraw/zinc/56/08/23/952560823.db2.gz OLOMTJABOOJLHG-STQMWFEESA-N 1 1 322.317 0.989 20 5 DCBDMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001350863262 955208233 /nfs/dbraw/zinc/20/82/33/955208233.db2.gz ZJLBUZRBONTTMV-ABAIWWIYSA-N 1 1 316.361 0.872 20 5 DCBDMO Cc1ccc(NCCNC(=O)Cn2cc([N+](=O)[O-])cn2)[nH+]c1 ZINC001303956985 960071636 /nfs/dbraw/zinc/07/16/36/960071636.db2.gz WLJZTWUDWGFJRX-UHFFFAOYSA-N 1 1 304.310 0.723 20 5 DCBDMO CNC(=O)C[N@H+]1CCCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC001473811847 1016972503 /nfs/dbraw/zinc/97/25/03/1016972503.db2.gz CZLDIUJZMRXLCU-UHFFFAOYSA-N 1 1 312.395 0.910 20 5 DCBDMO CNC(=O)C[N@@H+]1CCCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC001473811847 1016972493 /nfs/dbraw/zinc/97/24/93/1016972493.db2.gz CZLDIUJZMRXLCU-UHFFFAOYSA-N 1 1 312.395 0.910 20 5 DCBDMO O=C(CC[N@H+]1CC[C@H](O)[C@@H](CO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001559915257 1012433760 /nfs/dbraw/zinc/43/37/60/1012433760.db2.gz JVWOONRDYKEKTP-RISCZKNCSA-N 1 1 323.349 0.599 20 5 DCBDMO Cn1cc([N+](=O)[O-])c(C(=O)O[C@H]2C[C@@H]([NH+]3CCOCC3)C2)n1 ZINC001518654114 1017193966 /nfs/dbraw/zinc/19/39/66/1017193966.db2.gz WCHWLTKIBAGAET-AOOOYVTPSA-N 1 1 310.310 0.348 20 5 DCBDMO COc1ccc(NC(=O)CC[N@@H+](C)CCC(N)=O)c([N+](=O)[O-])c1 ZINC000286590795 219069703 /nfs/dbraw/zinc/06/97/03/219069703.db2.gz VVTCYOUHBMEYPE-UHFFFAOYSA-N 1 1 324.337 0.739 20 5 DCBDMO C[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1=CC[N@@H+](C)CC1 ZINC000272732829 210139534 /nfs/dbraw/zinc/13/95/34/210139534.db2.gz BYNJJAOASUKWPV-NSHDSACASA-N 1 1 320.349 0.523 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281175886 216132507 /nfs/dbraw/zinc/13/25/07/216132507.db2.gz ALXNIOGDQZCODK-PWSUYJOCSA-N 1 1 322.321 0.187 20 5 DCBDMO C[N@@H+]1CC=C(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000271817161 209240585 /nfs/dbraw/zinc/24/05/85/209240585.db2.gz CNRGZMPQVWECTM-UHFFFAOYSA-N 1 1 308.342 0.352 20 5 DCBDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000430272983 240387729 /nfs/dbraw/zinc/38/77/29/240387729.db2.gz ZHJCLBIPMJIBCU-OAHLLOKOSA-N 1 1 320.349 0.652 20 5 DCBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000064312097 184293752 /nfs/dbraw/zinc/29/37/52/184293752.db2.gz FCPGEMGDARGOKX-GHMZBOCLSA-N 1 1 310.358 0.423 20 5 DCBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)n1 ZINC000339414446 253081458 /nfs/dbraw/zinc/08/14/58/253081458.db2.gz YNXRZGCPAIPOEU-GFCCVEGCSA-N 1 1 321.341 0.212 20 5 DCBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000347240080 254141390 /nfs/dbraw/zinc/14/13/90/254141390.db2.gz RXPUUEYQJFUJKW-NSHDSACASA-N 1 1 310.354 0.462 20 5 DCBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CS(=O)(=O)CCO2)c(F)c1 ZINC000350286179 254314900 /nfs/dbraw/zinc/31/49/00/254314900.db2.gz KCRZZTRZMHDFPL-NSHDSACASA-N 1 1 318.326 0.637 20 5 DCBDMO CC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351494418 254339860 /nfs/dbraw/zinc/33/98/60/254339860.db2.gz NLKXLMSZLISLOS-UHFFFAOYSA-N 1 1 312.301 0.740 20 5 DCBDMO Cn1cc[nH+]c1N1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000270782554 395808357 /nfs/dbraw/zinc/80/83/57/395808357.db2.gz HTBYLJAAUUHMFJ-UHFFFAOYSA-N 1 1 305.298 0.014 20 5 DCBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@H]2C1 ZINC000272551474 395899203 /nfs/dbraw/zinc/89/92/03/395899203.db2.gz CYYYEMGSFHZHHX-AAEUAGOBSA-N 1 1 320.349 0.309 20 5 DCBDMO C[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000150720537 395971147 /nfs/dbraw/zinc/97/11/47/395971147.db2.gz ZKNVDLLWTWHSCV-NSHDSACASA-N 1 1 322.365 0.875 20 5 DCBDMO C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000247976814 395981414 /nfs/dbraw/zinc/98/14/14/395981414.db2.gz LDYQZUZGICDJAU-VHDGCEQUSA-N 1 1 323.397 0.568 20 5 DCBDMO C[N@H+]1CCC[C@@H]2CN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000247976814 395981417 /nfs/dbraw/zinc/98/14/17/395981417.db2.gz LDYQZUZGICDJAU-VHDGCEQUSA-N 1 1 323.397 0.568 20 5 DCBDMO C[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000154817294 396043180 /nfs/dbraw/zinc/04/31/80/396043180.db2.gz IMVVRKQBJREDTC-TVQRCGJNSA-N 1 1 308.338 0.825 20 5 DCBDMO C[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000154817294 396043183 /nfs/dbraw/zinc/04/31/83/396043183.db2.gz IMVVRKQBJREDTC-TVQRCGJNSA-N 1 1 308.338 0.825 20 5 DCBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC1CC[NH2+]CC1 ZINC000261650514 396052616 /nfs/dbraw/zinc/05/26/16/396052616.db2.gz DGPFUOCNNGNVGU-UHFFFAOYSA-N 1 1 303.315 0.764 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000068468093 396056524 /nfs/dbraw/zinc/05/65/24/396056524.db2.gz NEFDMPIPWDQYMA-LBPRGKRZSA-N 1 1 309.370 0.946 20 5 DCBDMO Nc1nc(N2CC[NH+](C[C@@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC000076267206 396199708 /nfs/dbraw/zinc/19/97/08/396199708.db2.gz GLALFDWLVONGOE-JTQLQIEISA-N 1 1 308.342 0.268 20 5 DCBDMO CNC(=O)C[NH+]1CCC(Nc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000079887648 396271767 /nfs/dbraw/zinc/27/17/67/396271767.db2.gz PZSBDAGTZNWJRQ-UHFFFAOYSA-N 1 1 310.358 0.259 20 5 DCBDMO CCNC(=O)C[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000264508247 396285842 /nfs/dbraw/zinc/28/58/42/396285842.db2.gz XAAVMKYVKSDUFH-UHFFFAOYSA-N 1 1 321.381 0.946 20 5 DCBDMO CCNC(=O)C[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000264508247 396285846 /nfs/dbraw/zinc/28/58/46/396285846.db2.gz XAAVMKYVKSDUFH-UHFFFAOYSA-N 1 1 321.381 0.946 20 5 DCBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)C[NH+]1CCOCC1 ZINC000184429038 396294954 /nfs/dbraw/zinc/29/49/54/396294954.db2.gz IRHIHWVAYAINQQ-LLVKDONJSA-N 1 1 322.365 0.875 20 5 DCBDMO COc1cc(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000186819377 396358804 /nfs/dbraw/zinc/35/88/04/396358804.db2.gz VWMUICKTOGFNQV-LLVKDONJSA-N 1 1 323.349 0.742 20 5 DCBDMO CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000584748956 396620164 /nfs/dbraw/zinc/62/01/64/396620164.db2.gz KKHHYBTZFOVITF-SNVBAGLBSA-N 1 1 316.383 0.997 20 5 DCBDMO COC(=O)[C@@H]1CN(Cc2onc(C)c2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000595534686 396626957 /nfs/dbraw/zinc/62/69/57/396626957.db2.gz JVRCQONWOWYVIW-JTQLQIEISA-N 1 1 312.326 0.428 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000314582498 396782838 /nfs/dbraw/zinc/78/28/38/396782838.db2.gz PRIWIZGTSWJWFI-SMDDNHRTSA-N 1 1 309.370 0.226 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCO[C@H]3CCCC[C@H]32)c1 ZINC000304309258 396729737 /nfs/dbraw/zinc/72/97/37/396729737.db2.gz JWAZYNPMLQMEAR-MCIONIFRSA-N 1 1 310.354 0.796 20 5 DCBDMO C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1CN(C)CCO1 ZINC000611559067 396886234 /nfs/dbraw/zinc/88/62/34/396886234.db2.gz CDKQJGIKGHRHKD-ZANVPECISA-N 1 1 309.322 0.749 20 5 DCBDMO [NH3+]CC(F)(F)CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000591351705 396905706 /nfs/dbraw/zinc/90/57/06/396905706.db2.gz ZEMJVVIRUBKDPW-UHFFFAOYSA-N 1 1 318.280 0.867 20 5 DCBDMO COC(=O)c1cccc(OCc2noc(C[NH3+])n2)c1[N+](=O)[O-] ZINC000571439719 396952971 /nfs/dbraw/zinc/95/29/71/396952971.db2.gz RXPIDZXNNOMAGE-UHFFFAOYSA-N 1 1 308.250 0.802 20 5 DCBDMO C[C@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000592368903 397161662 /nfs/dbraw/zinc/16/16/62/397161662.db2.gz MMXSMBXNSRVWLF-IUCAKERBSA-N 1 1 300.340 0.361 20 5 DCBDMO CCOC(=O)c1ccnc(NCC[N@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000599176295 397354899 /nfs/dbraw/zinc/35/48/99/397354899.db2.gz PZCVTNAYHFMIGT-SNVBAGLBSA-N 1 1 324.337 0.645 20 5 DCBDMO O=[N+]([O-])c1ccc2oc(CN3CC([N@@H+]4CC[C@@H](O)C4)C3)nc2c1 ZINC000602709079 397467876 /nfs/dbraw/zinc/46/78/76/397467876.db2.gz AAEXISDGIGFVKT-GFCCVEGCSA-N 1 1 318.333 0.987 20 5 DCBDMO O=[N+]([O-])c1ccc2oc(CN3CC([N@H+]4CC[C@@H](O)C4)C3)nc2c1 ZINC000602709079 397467879 /nfs/dbraw/zinc/46/78/79/397467879.db2.gz AAEXISDGIGFVKT-GFCCVEGCSA-N 1 1 318.333 0.987 20 5 DCBDMO C[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](CO)C1 ZINC000602713746 397469029 /nfs/dbraw/zinc/46/90/29/397469029.db2.gz BKROTSODLSWASU-LLVKDONJSA-N 1 1 306.322 0.844 20 5 DCBDMO C[N@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](CO)C1 ZINC000602713746 397469031 /nfs/dbraw/zinc/46/90/31/397469031.db2.gz BKROTSODLSWASU-LLVKDONJSA-N 1 1 306.322 0.844 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000602784776 397483655 /nfs/dbraw/zinc/48/36/55/397483655.db2.gz HSAPPJJMPUOSJW-NXEZZACHSA-N 1 1 318.399 0.853 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000602784776 397483658 /nfs/dbraw/zinc/48/36/58/397483658.db2.gz HSAPPJJMPUOSJW-NXEZZACHSA-N 1 1 318.399 0.853 20 5 DCBDMO COC(=O)[C@@]1(C)C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000602931513 397527107 /nfs/dbraw/zinc/52/71/07/397527107.db2.gz MOFCLFYOWDUXNN-NHYWBVRUSA-N 1 1 323.349 0.888 20 5 DCBDMO Cc1nnc(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)n1C ZINC000602945625 397531808 /nfs/dbraw/zinc/53/18/08/397531808.db2.gz ZGAGKCYLWMVPCN-UHFFFAOYSA-N 1 1 320.357 0.050 20 5 DCBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599937654 397545901 /nfs/dbraw/zinc/54/59/01/397545901.db2.gz HUKAUPDYFIYOPC-AAEUAGOBSA-N 1 1 321.333 0.582 20 5 DCBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000599937654 397545905 /nfs/dbraw/zinc/54/59/05/397545905.db2.gz HUKAUPDYFIYOPC-AAEUAGOBSA-N 1 1 321.333 0.582 20 5 DCBDMO CN(c1c([N+](=O)[O-])ncn1C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000609620244 397786591 /nfs/dbraw/zinc/78/65/91/397786591.db2.gz MSEBOYVHILKDRL-ZDUSSCGKSA-N 1 1 322.413 0.933 20 5 DCBDMO CN(c1c([N+](=O)[O-])ncn1C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000609620244 397786597 /nfs/dbraw/zinc/78/65/97/397786597.db2.gz MSEBOYVHILKDRL-ZDUSSCGKSA-N 1 1 322.413 0.933 20 5 DCBDMO CC[C@@](C)([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(N)=O ZINC000133291946 158318272 /nfs/dbraw/zinc/31/82/72/158318272.db2.gz KKCQZUVEVBNCDH-OAHLLOKOSA-N 1 1 320.349 0.728 20 5 DCBDMO CC(C)[NH+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC000330527163 159186909 /nfs/dbraw/zinc/18/69/09/159186909.db2.gz XFYNQWBVAYWGBU-UHFFFAOYSA-N 1 1 308.338 0.309 20 5 DCBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000330597117 159200217 /nfs/dbraw/zinc/20/02/17/159200217.db2.gz SGERXETZAYAAHR-WDEREUQCSA-N 1 1 308.338 0.308 20 5 DCBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[NH+](C2CCOCC2)CC1 ZINC000408032914 160017704 /nfs/dbraw/zinc/01/77/04/160017704.db2.gz DUMUNGMTFIAUCT-UHFFFAOYSA-N 1 1 309.326 0.255 20 5 DCBDMO C[N@@H+](C[C@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CC1 ZINC000352365881 415150949 /nfs/dbraw/zinc/15/09/49/415150949.db2.gz YFEKVWWBJDGCOK-AWEZNQCLSA-N 1 1 323.397 0.883 20 5 DCBDMO COc1ccc(OCC[N@@H+](C)[C@H]2COC[C@H]2O)c([N+](=O)[O-])c1 ZINC000352792129 415318083 /nfs/dbraw/zinc/31/80/83/415318083.db2.gz KRNSERRIQRRCBP-QWHCGFSZSA-N 1 1 312.322 0.674 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1COC[C@@H]1O ZINC000352805147 415330040 /nfs/dbraw/zinc/33/00/40/415330040.db2.gz RCZJJTHHKAQHAO-KGLIPLIRSA-N 1 1 323.349 0.923 20 5 DCBDMO NC(=O)[C@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CC[NH2+]1 ZINC000276686212 415479480 /nfs/dbraw/zinc/47/94/80/415479480.db2.gz VRQMOVHKHIHEJJ-LLVKDONJSA-N 1 1 301.306 0.407 20 5 DCBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000343723191 415699514 /nfs/dbraw/zinc/69/95/14/415699514.db2.gz NCBHFGVOWDNSAM-PWSUYJOCSA-N 1 1 309.322 0.155 20 5 DCBDMO CO[C@H]1C[C@H](CN(C)c2cccc(C(N)=O)c2[N+](=O)[O-])[N@@H+](C)C1 ZINC000343876917 415763684 /nfs/dbraw/zinc/76/36/84/415763684.db2.gz WGNZMXOIPLWWSM-MNOVXSKESA-N 1 1 322.365 0.849 20 5 DCBDMO CN(CCC[NH+]1CCCC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000337269820 415937102 /nfs/dbraw/zinc/93/71/02/415937102.db2.gz MGTJOOUBMOQNAT-AWEZNQCLSA-N 1 1 311.386 0.570 20 5 DCBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)CN1CC[NH+](C)CC1 ZINC000298970053 416042372 /nfs/dbraw/zinc/04/23/72/416042372.db2.gz DHPOODHIBVKAAF-LLVKDONJSA-N 1 1 309.370 0.536 20 5 DCBDMO CN(C)C(=O)CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345667600 416129981 /nfs/dbraw/zinc/12/99/81/416129981.db2.gz VQKXYGNXJSVIRJ-LLVKDONJSA-N 1 1 307.354 0.954 20 5 DCBDMO COCC[N@H+]1CC[C@H](NC(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000330636259 416220508 /nfs/dbraw/zinc/22/05/08/416220508.db2.gz FCGHJGIKXKUOIS-JTQLQIEISA-N 1 1 311.342 0.087 20 5 DCBDMO CC(C)c1n[nH]c(C(=O)NC[C@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000331213258 416287937 /nfs/dbraw/zinc/28/79/37/416287937.db2.gz LIFPGGMRZKJLIW-JTQLQIEISA-N 1 1 324.385 0.417 20 5 DCBDMO CC(C)c1n[nH]c(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000331213258 416287940 /nfs/dbraw/zinc/28/79/40/416287940.db2.gz LIFPGGMRZKJLIW-JTQLQIEISA-N 1 1 324.385 0.417 20 5 DCBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000364806129 416594776 /nfs/dbraw/zinc/59/47/76/416594776.db2.gz IOJPOXXUKBFRCI-JTQLQIEISA-N 1 1 322.369 0.657 20 5 DCBDMO C[C@H](O)C[N@H+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000439156234 416609032 /nfs/dbraw/zinc/60/90/32/416609032.db2.gz LLUKAJSGHNWQOS-QWRGUYRKSA-N 1 1 322.365 0.585 20 5 DCBDMO C[N@H+]1CCC[C@@H](N2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)C1 ZINC000362946642 416571889 /nfs/dbraw/zinc/57/18/89/416571889.db2.gz YOQGBNGBBDYBEH-LLVKDONJSA-N 1 1 321.385 0.183 20 5 DCBDMO C[N@H+]1CCC[C@@H](N2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000610485222 416656927 /nfs/dbraw/zinc/65/69/27/416656927.db2.gz OQISVUGDCOFIJZ-CQSZACIVSA-N 1 1 322.413 0.503 20 5 DCBDMO Nc1nc(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC000610489097 416658467 /nfs/dbraw/zinc/65/84/67/416658467.db2.gz APXIYJSXEIPFDH-NSHDSACASA-N 1 1 322.369 0.658 20 5 DCBDMO CCOC(=O)CC[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441507165 416673065 /nfs/dbraw/zinc/67/30/65/416673065.db2.gz UKZSOPUJSJBNSF-LLVKDONJSA-N 1 1 300.315 0.037 20 5 DCBDMO Nc1nc(SCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ncc1[N+](=O)[O-] ZINC000517042468 416777569 /nfs/dbraw/zinc/77/75/69/416777569.db2.gz VZGNKTPPJQRMSN-DTORHVGOSA-N 1 1 311.367 0.922 20 5 DCBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000427691267 416837181 /nfs/dbraw/zinc/83/71/81/416837181.db2.gz WXKVQKMGXGLVQO-CQSZACIVSA-N 1 1 309.322 0.400 20 5 DCBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000568528991 417147624 /nfs/dbraw/zinc/14/76/24/417147624.db2.gz IPOSTDDBZXCBCC-SNVBAGLBSA-N 1 1 307.354 0.986 20 5 DCBDMO C[C@@H]1C[N@@H+](CCCNc2ncc([N+](=O)[O-])c(N)n2)CCCO1 ZINC000432872286 417212414 /nfs/dbraw/zinc/21/24/14/417212414.db2.gz LQFXYUXDWDLHJF-SNVBAGLBSA-N 1 1 310.358 0.302 20 5 DCBDMO COc1ccc(OCC[N@@H+]2C[C@@H](O)[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC000451750545 417392511 /nfs/dbraw/zinc/39/25/11/417392511.db2.gz RMSOKYDFKBHGSI-TZMCWYRMSA-N 1 1 312.322 0.674 20 5 DCBDMO COc1ccc(OCC[N@H+]2C[C@@H](O)[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC000451750545 417392515 /nfs/dbraw/zinc/39/25/15/417392515.db2.gz RMSOKYDFKBHGSI-TZMCWYRMSA-N 1 1 312.322 0.674 20 5 DCBDMO CNc1nc(C(=O)NCCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000454164864 417548711 /nfs/dbraw/zinc/54/87/11/417548711.db2.gz SGOCNUSXJWDPCT-UHFFFAOYSA-N 1 1 323.353 0.484 20 5 DCBDMO CCCN1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000314843701 261174123 /nfs/dbraw/zinc/17/41/23/261174123.db2.gz VPZJKVAGAAXORK-CQSZACIVSA-N 1 1 311.386 0.616 20 5 DCBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000359778376 261767128 /nfs/dbraw/zinc/76/71/28/261767128.db2.gz NVUVCUQDBHGUNH-LBPRGKRZSA-N 1 1 324.381 0.993 20 5 DCBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC[NH+]1CCC1 ZINC000411345417 262169398 /nfs/dbraw/zinc/16/93/98/262169398.db2.gz KOKVWDYTTQDJER-UHFFFAOYSA-N 1 1 320.349 0.972 20 5 DCBDMO COC(=O)[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cn2)CC[N@@H+](C)C1 ZINC000413507347 262214695 /nfs/dbraw/zinc/21/46/95/262214695.db2.gz WHBLFUOUAPTVDR-NSHDSACASA-N 1 1 308.338 0.839 20 5 DCBDMO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000459836594 272014226 /nfs/dbraw/zinc/01/42/26/272014226.db2.gz ZIYJVRQUCAGNTB-TVYUQYBPSA-N 1 1 309.322 0.925 20 5 DCBDMO C[N@H+]1CC[C@@](O)(CNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000492557119 272135403 /nfs/dbraw/zinc/13/54/03/272135403.db2.gz BLGQTJSSNOHROD-SJDLMVEWSA-N 1 1 323.324 0.930 20 5 DCBDMO O=C1OCCN1C[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000495870156 272278462 /nfs/dbraw/zinc/27/84/62/272278462.db2.gz SUDHTIJJCWINPK-NSHDSACASA-N 1 1 309.326 0.565 20 5 DCBDMO CC(C)[C@@H]([NH3+])CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000336843913 275673912 /nfs/dbraw/zinc/67/39/12/275673912.db2.gz YAJAWGPPWOZDBN-VIFPVBQESA-N 1 1 305.331 0.996 20 5 DCBDMO C[NH+](C)CCN1CCC(CNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000549176061 288193957 /nfs/dbraw/zinc/19/39/57/288193957.db2.gz KWEGRDXRICALIH-UHFFFAOYSA-N 1 1 324.385 0.321 20 5 DCBDMO C[N@@H+](CCc1nccs1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000158012347 522991846 /nfs/dbraw/zinc/99/18/46/522991846.db2.gz WERFNYXDHMEYCA-LLVKDONJSA-N 1 1 311.367 0.783 20 5 DCBDMO COC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266566844 523683946 /nfs/dbraw/zinc/68/39/46/523683946.db2.gz ZXAFYLSKSNGXPX-ZYHUDNBSSA-N 1 1 312.326 0.037 20 5 DCBDMO C[C@@H]1CSCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000249022960 525166838 /nfs/dbraw/zinc/16/68/38/525166838.db2.gz LBCVBQURENLKFH-CMPLNLGQSA-N 1 1 300.384 0.837 20 5 DCBDMO NC(=O)c1ccc(NCC[N@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000188499814 527067883 /nfs/dbraw/zinc/06/78/83/527067883.db2.gz SNYSKSONZBURKJ-UHFFFAOYSA-N 1 1 308.338 0.828 20 5 DCBDMO CCc1onc(C)c1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001022064140 658822284 /nfs/dbraw/zinc/82/22/84/658822284.db2.gz YCYKAQONDJDMJZ-LSCVPOLPSA-N 1 1 322.365 0.947 20 5 DCBDMO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cscn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983658440 662002410 /nfs/dbraw/zinc/00/24/10/662002410.db2.gz WCHINCAZEWJKTJ-CNVPUSNMSA-N 1 1 310.379 0.793 20 5 DCBDMO Cc1cc([N+](=O)[O-])cnc1N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000894958139 662037083 /nfs/dbraw/zinc/03/70/83/662037083.db2.gz LQRZFEHBVLJDCJ-UHFFFAOYSA-N 1 1 307.354 0.508 20 5 DCBDMO C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000896583187 662295807 /nfs/dbraw/zinc/29/58/07/662295807.db2.gz WYRRZNHCTFVIDY-IUODEOHRSA-N 1 1 320.393 0.888 20 5 DCBDMO C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1CN(C)CCN1C ZINC000896583187 662295810 /nfs/dbraw/zinc/29/58/10/662295810.db2.gz WYRRZNHCTFVIDY-IUODEOHRSA-N 1 1 320.393 0.888 20 5 DCBDMO Cn1cc(CC[NH+]2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC001002788049 666222100 /nfs/dbraw/zinc/22/21/00/666222100.db2.gz LZXNAFPNHPQWRO-ZIAGYGMSSA-N 1 1 321.381 0.208 20 5 DCBDMO Cc1cc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)c(N)c([N+](=O)[O-])c1 ZINC000863322012 667128839 /nfs/dbraw/zinc/12/88/39/667128839.db2.gz LOXNUNZTPHKQDT-SNVBAGLBSA-N 1 1 308.338 0.282 20 5 DCBDMO Cc1cc(F)cc(C(=O)NCC[N@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000863832260 667187931 /nfs/dbraw/zinc/18/79/31/667187931.db2.gz WJYHBMKLAQCEHF-NSHDSACASA-N 1 1 311.313 0.839 20 5 DCBDMO Cc1nn(CCC(=O)N2CC[N@H+](C)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000742197260 667783923 /nfs/dbraw/zinc/78/39/23/667783923.db2.gz UODLMOSNBVIMHF-JTQLQIEISA-N 1 1 309.370 0.961 20 5 DCBDMO Cc1nn(CCC(=O)N2CC[N@@H+](C)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000742197260 667783925 /nfs/dbraw/zinc/78/39/25/667783925.db2.gz UODLMOSNBVIMHF-JTQLQIEISA-N 1 1 309.370 0.961 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000747232254 667897853 /nfs/dbraw/zinc/89/78/53/667897853.db2.gz VLICREXRJNZNHZ-JQWIXIFHSA-N 1 1 308.338 0.526 20 5 DCBDMO Cn1c(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000747232052 667898350 /nfs/dbraw/zinc/89/83/50/667898350.db2.gz QBIUBCDSESKHCG-GHMZBOCLSA-N 1 1 308.338 0.526 20 5 DCBDMO C[C@H]([NH2+]Cc1cn(C)c(=O)n(C)c1=O)c1ccccc1[N+](=O)[O-] ZINC000873183699 667976790 /nfs/dbraw/zinc/97/67/90/667976790.db2.gz BSCGOLLQWMPTLV-JTQLQIEISA-N 1 1 318.333 0.843 20 5 DCBDMO C[N@H+]1CCCN(C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)CC1 ZINC000876805853 668514527 /nfs/dbraw/zinc/51/45/27/668514527.db2.gz GLWIDVBQYMEBFF-HNNXBMFYSA-N 1 1 306.366 0.933 20 5 DCBDMO Cn1nnnc1CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000877962178 668665108 /nfs/dbraw/zinc/66/51/08/668665108.db2.gz AVOGPXLRUPJEEB-UHFFFAOYSA-N 1 1 317.353 0.483 20 5 DCBDMO CCOc1cc(N2CCC[N@H+](CC(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000771129564 668731743 /nfs/dbraw/zinc/73/17/43/668731743.db2.gz LGAPDEMUNXANMU-UHFFFAOYSA-N 1 1 322.365 0.991 20 5 DCBDMO CCOc1cc(N2CCC[N@@H+](CC(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000771129564 668731745 /nfs/dbraw/zinc/73/17/45/668731745.db2.gz LGAPDEMUNXANMU-UHFFFAOYSA-N 1 1 322.365 0.991 20 5 DCBDMO C[N@H+]1CC[C@H]2CN(C(=O)Nc3ccncc3[N+](=O)[O-])CC[C@H]21 ZINC000879072124 668979401 /nfs/dbraw/zinc/97/94/01/668979401.db2.gz RNCTUXOXUYNREB-CMPLNLGQSA-N 1 1 305.338 0.970 20 5 DCBDMO O=[N+]([O-])CCN1CCCC2(CCC[N@@H+](CC[N+](=O)[O-])C2)C1 ZINC000930510587 669031807 /nfs/dbraw/zinc/03/18/07/669031807.db2.gz AHOCZEFLNVPHEI-UHFFFAOYSA-N 1 1 300.359 0.718 20 5 DCBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000930874170 669098589 /nfs/dbraw/zinc/09/85/89/669098589.db2.gz FDYQAOSOKPPRMJ-ZYHUDNBSSA-N 1 1 305.338 0.888 20 5 DCBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000931725305 669255294 /nfs/dbraw/zinc/25/52/94/669255294.db2.gz WOZYNGZCFLVQGY-OUCADQQQSA-N 1 1 309.370 0.321 20 5 DCBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCOC[C@H]2C[C@H]2CCOC2)n1 ZINC000933672157 669517721 /nfs/dbraw/zinc/51/77/21/669517721.db2.gz SMSTYQCMRFBZOY-CHWSQXEVSA-N 1 1 310.354 0.919 20 5 DCBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCOC[C@H]2C[C@H]2CCOC2)n1 ZINC000933672157 669517728 /nfs/dbraw/zinc/51/77/28/669517728.db2.gz SMSTYQCMRFBZOY-CHWSQXEVSA-N 1 1 310.354 0.919 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000935399290 669717310 /nfs/dbraw/zinc/71/73/10/669717310.db2.gz IOWJJDRKUKTFNN-LZWOXQAQSA-N 1 1 319.361 0.881 20 5 DCBDMO Cc1nn(C[N@H+]2CC[C@@](C)(C(N)=O)C2)c2ncc([N+](=O)[O-])cc12 ZINC000794711865 669860675 /nfs/dbraw/zinc/86/06/75/669860675.db2.gz KZLPPHIBRJDBKG-CQSZACIVSA-N 1 1 318.337 0.803 20 5 DCBDMO COC(=O)[C@H]1[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@@H]21 ZINC000794952040 669868176 /nfs/dbraw/zinc/86/81/76/669868176.db2.gz KHTKPECOTDGOOC-PJXYFTJBSA-N 1 1 307.306 0.107 20 5 DCBDMO CC(C)[N@@H+]1CCO[C@H](COC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000802136228 670152136 /nfs/dbraw/zinc/15/21/36/670152136.db2.gz HIDBBXVWTJHJDF-JTQLQIEISA-N 1 1 312.326 0.594 20 5 DCBDMO CC(C)[N@H+]1CCO[C@H](COC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000802136228 670152137 /nfs/dbraw/zinc/15/21/37/670152137.db2.gz HIDBBXVWTJHJDF-JTQLQIEISA-N 1 1 312.326 0.594 20 5 DCBDMO NC(=O)C[C@@H]1CC[N@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000808228167 670401424 /nfs/dbraw/zinc/40/14/24/670401424.db2.gz RJCACARCLFLAEU-VIFPVBQESA-N 1 1 320.305 0.658 20 5 DCBDMO NC(=O)C[C@@H]1CC[N@@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000808228167 670401428 /nfs/dbraw/zinc/40/14/28/670401428.db2.gz RJCACARCLFLAEU-VIFPVBQESA-N 1 1 320.305 0.658 20 5 DCBDMO Cc1ccc([N+](=O)[O-])c(N2CC(CN3CC[NH+](C)CC3)C2)n1 ZINC000858611867 671021638 /nfs/dbraw/zinc/02/16/38/671021638.db2.gz UQWFUECBWKKEIE-UHFFFAOYSA-N 1 1 305.382 0.982 20 5 DCBDMO O=[N+]([O-])c1ccc(N2CCN(CCN3CC[NH2+]CC3)CC2)cc1 ZINC000843356038 672086517 /nfs/dbraw/zinc/08/65/17/672086517.db2.gz BZYGGJDTODSRGJ-UHFFFAOYSA-N 1 1 319.409 0.622 20 5 DCBDMO COCc1cc([N+](=O)[O-])ccc1N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000845721938 672271413 /nfs/dbraw/zinc/27/14/13/672271413.db2.gz HRAVOKDMEKGEBP-CQSZACIVSA-N 1 1 307.350 0.996 20 5 DCBDMO Cc1nn[nH]c1C(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001567541927 1160413076 /nfs/dbraw/zinc/41/30/76/1160413076.db2.gz ISJPVYFWBCAVBM-UHFFFAOYSA-N 1 1 318.337 0.883 20 5 DCBDMO CN(CC[N@@H+](C)Cc1ccc(CO)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001568480831 1160656404 /nfs/dbraw/zinc/65/64/04/1160656404.db2.gz VNDYUGAKQRXTFY-HUUCEWRRSA-N 1 1 321.377 0.734 20 5 DCBDMO CN(CC[N@H+](C)Cc1ccc(CO)cc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001568480831 1160656412 /nfs/dbraw/zinc/65/64/12/1160656412.db2.gz VNDYUGAKQRXTFY-HUUCEWRRSA-N 1 1 321.377 0.734 20 5 DCBDMO CN(CC[N@@H+](C)Cc1ccc(CO)cc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001568480831 1160656423 /nfs/dbraw/zinc/65/64/23/1160656423.db2.gz VNDYUGAKQRXTFY-HUUCEWRRSA-N 1 1 321.377 0.734 20 5 DCBDMO O=C(NC/C=C\C[NH2+]CC1CC(F)(F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001568848176 1160814226 /nfs/dbraw/zinc/81/42/26/1160814226.db2.gz HOXZWFUSLBCLNG-JLVKAVFRSA-N 1 1 303.309 0.959 20 5 DCBDMO C[C@@H]([NH3+])C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001573554704 1163498045 /nfs/dbraw/zinc/49/80/45/1163498045.db2.gz YZMBEDIAQBLWCL-SNVBAGLBSA-N 1 1 307.354 0.632 20 5 DCBDMO C[C@H]1C(=O)NCCCN1C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001579487009 1165328161 /nfs/dbraw/zinc/32/81/61/1165328161.db2.gz WXVOVPSXZQMVJB-BONVTDFDSA-N 1 1 320.349 0.506 20 5 DCBDMO C[N@H+]1CCCN(Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 ZINC001591188891 1167139374 /nfs/dbraw/zinc/13/93/74/1167139374.db2.gz SREFGFJSOGVGFL-UHFFFAOYSA-N 1 1 317.353 0.912 20 5 DCBDMO Cc1[nH+]ccn1CCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001592419408 1167518558 /nfs/dbraw/zinc/51/85/58/1167518558.db2.gz FKLQSWSFKUDXKE-UHFFFAOYSA-N 1 1 315.297 0.787 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC001617352323 1171387198 /nfs/dbraw/zinc/38/71/98/1171387198.db2.gz HOVOPINREVENNU-UHFFFAOYSA-N 1 1 304.310 0.654 20 5 DCBDMO CNC(=O)[C@H]1CC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC001618676543 1171400254 /nfs/dbraw/zinc/40/02/54/1171400254.db2.gz HGFICBOPBFVZQI-NSHDSACASA-N 1 1 320.349 0.910 20 5 DCBDMO CNC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC001618676543 1171400257 /nfs/dbraw/zinc/40/02/57/1171400257.db2.gz HGFICBOPBFVZQI-NSHDSACASA-N 1 1 320.349 0.910 20 5 DCBDMO COC(=O)COc1ccc(C[N@H+]2C[C@@H](C)[C@H](O)C2)cc1[N+](=O)[O-] ZINC001621538534 1171411862 /nfs/dbraw/zinc/41/18/62/1171411862.db2.gz LYSNVILCHMADOZ-ZWNOBZJWSA-N 1 1 324.333 0.959 20 5 DCBDMO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC001632762111 1171624039 /nfs/dbraw/zinc/62/40/39/1171624039.db2.gz FABHYXUBVIMYSJ-AWEZNQCLSA-N 1 1 309.322 0.439 20 5 DCBDMO C[N@@H+](CCO)CCNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001634744336 1171686648 /nfs/dbraw/zinc/68/66/48/1171686648.db2.gz FEZFDQRSMDUIIU-UHFFFAOYSA-N 1 1 316.745 0.484 20 5 DCBDMO Cc1n[nH]c(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC001640128892 1171867076 /nfs/dbraw/zinc/86/70/76/1171867076.db2.gz YDCRZRDPQGPVCQ-WDEREUQCSA-N 1 1 323.353 0.298 20 5 DCBDMO Cc1[nH]nc(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1[N+](=O)[O-] ZINC001640128892 1171867093 /nfs/dbraw/zinc/86/70/93/1171867093.db2.gz YDCRZRDPQGPVCQ-WDEREUQCSA-N 1 1 323.353 0.298 20 5 DCBDMO Cc1[nH]nc(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC001640128892 1171867101 /nfs/dbraw/zinc/86/71/01/1171867101.db2.gz YDCRZRDPQGPVCQ-WDEREUQCSA-N 1 1 323.353 0.298 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)n1 ZINC001643089207 1171964401 /nfs/dbraw/zinc/96/44/01/1171964401.db2.gz HKHYSSKEWRVZRK-NEPJUHHUSA-N 1 1 322.365 0.825 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)n1 ZINC001643089207 1171964406 /nfs/dbraw/zinc/96/44/06/1171964406.db2.gz HKHYSSKEWRVZRK-NEPJUHHUSA-N 1 1 322.365 0.825 20 5 DCBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H]1CO ZINC001644650815 1172012985 /nfs/dbraw/zinc/01/29/85/1172012985.db2.gz OQSDRCHEWPWSJS-LLVKDONJSA-N 1 1 307.306 0.959 20 5 DCBDMO COC(=O)c1cc(C)nc(NCC[N@@H+](C)CCO)c1[N+](=O)[O-] ZINC001651411569 1173748524 /nfs/dbraw/zinc/74/85/24/1173748524.db2.gz CHSDRXAXKMOHDV-UHFFFAOYSA-N 1 1 312.326 0.421 20 5 DCBDMO COc1c(O)ccc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)c1[N+](=O)[O-] ZINC001652292530 1173767806 /nfs/dbraw/zinc/76/78/06/1173767806.db2.gz ZIMCCSBUMDAXGA-LDYMZIIASA-N 1 1 309.322 0.923 20 5 DCBDMO CC[N@H+]1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])nc2C)C(C)(C)C1 ZINC001652602602 1173772775 /nfs/dbraw/zinc/77/27/75/1173772775.db2.gz FMSPVRAYBLGIAR-NSHDSACASA-N 1 1 309.370 0.946 20 5 DCBDMO O=C(CC[N@H+]1C[C@@H](O)[C@H](CO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001654687924 1173809967 /nfs/dbraw/zinc/80/99/67/1173809967.db2.gz FLWINVCBQOACRI-GXFFZTMASA-N 1 1 309.322 0.208 20 5 DCBDMO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+][C@H]2CCn3ccnc32)cc1 ZINC001660657479 1174031801 /nfs/dbraw/zinc/03/18/01/1174031801.db2.gz OXCYJYNBENAPTP-BFHYXJOUSA-N 1 1 318.333 0.920 20 5 DCBDMO COc1c(O)ccc(CNCC[N@@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC001665382512 1174513811 /nfs/dbraw/zinc/51/38/11/1174513811.db2.gz AZTDWORROAFSRN-NSHDSACASA-N 1 1 311.338 0.465 20 5 DCBDMO COc1c(O)ccc(CNCC[N@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC001665382512 1174513817 /nfs/dbraw/zinc/51/38/17/1174513817.db2.gz AZTDWORROAFSRN-NSHDSACASA-N 1 1 311.338 0.465 20 5 DCBDMO O=C(NC[C@H]1C[C@@H]([NH2+]CCOC2CCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001688903043 1176652550 /nfs/dbraw/zinc/65/25/50/1176652550.db2.gz UXZKGTYMPUSUCS-ZMJPVWNMSA-N 1 1 311.382 0.705 20 5 DCBDMO CCN(CC[NH2+]Cc1cccc(OC)n1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001716216700 1182260160 /nfs/dbraw/zinc/26/01/60/1182260160.db2.gz FDQUOHGUKNFYPZ-CHWSQXEVSA-N 1 1 322.365 0.694 20 5 DCBDMO O=C(NC1(C[NH2+]CCC2CC2)CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001724915346 1184617417 /nfs/dbraw/zinc/61/74/17/1184617417.db2.gz JFGRGETYNZEWJN-CHWSQXEVSA-N 1 1 311.382 0.707 20 5 DCBDMO CC(C)OCC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001734268380 1186598523 /nfs/dbraw/zinc/59/85/23/1186598523.db2.gz NDMXYGGRJRJGTD-ZIAGYGMSSA-N 1 1 313.398 0.999 20 5 DCBDMO CC(C)OCC[N@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001734268380 1186598526 /nfs/dbraw/zinc/59/85/26/1186598526.db2.gz NDMXYGGRJRJGTD-ZIAGYGMSSA-N 1 1 313.398 0.999 20 5 DCBDMO CC(C)OCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001734268380 1186598530 /nfs/dbraw/zinc/59/85/30/1186598530.db2.gz NDMXYGGRJRJGTD-ZIAGYGMSSA-N 1 1 313.398 0.999 20 5 DCBDMO CC(=O)NCC(=O)NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001753396232 1188582184 /nfs/dbraw/zinc/58/21/84/1188582184.db2.gz KAWXYZDKPGCKQN-UHFFFAOYSA-N 1 1 320.349 0.279 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(CNC(=O)c2ccco2)CC1 ZINC001754506647 1188871027 /nfs/dbraw/zinc/87/10/27/1188871027.db2.gz OBOHQQUYVLWOBI-UHFFFAOYSA-N 1 1 319.321 0.974 20 5 DCBDMO C[N@H+]1CCO[C@@H]2CN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])C[C@@H]21 ZINC001164671897 719396769 /nfs/dbraw/zinc/39/67/69/719396769.db2.gz ZJQJOOLKTUDQGS-VHSXEESVSA-N 1 1 314.729 0.401 20 5 DCBDMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1cc(N)c([N+](=O)[O-])cn1 ZINC001164921942 721868218 /nfs/dbraw/zinc/86/82/18/721868218.db2.gz FDNJRWZFMPDFFH-STQMWFEESA-N 1 1 320.397 0.787 20 5 DCBDMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1cc(N)c([N+](=O)[O-])cn1 ZINC001164921942 721868220 /nfs/dbraw/zinc/86/82/20/721868220.db2.gz FDNJRWZFMPDFFH-STQMWFEESA-N 1 1 320.397 0.787 20 5 DCBDMO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ncn[nH]1 ZINC001168731513 753934455 /nfs/dbraw/zinc/93/44/55/753934455.db2.gz MLPIUPPXUGHWGP-UHFFFAOYSA-N 1 1 304.310 0.623 20 5 DCBDMO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1nc[nH]n1 ZINC001168731513 753934458 /nfs/dbraw/zinc/93/44/58/753934458.db2.gz MLPIUPPXUGHWGP-UHFFFAOYSA-N 1 1 304.310 0.623 20 5 DCBDMO Cc1noc(C)c1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086363255 760101228 /nfs/dbraw/zinc/10/12/28/760101228.db2.gz KBCFPODESRMNCG-HKUMRIAESA-N 1 1 322.365 0.941 20 5 DCBDMO COc1cc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)on1 ZINC001086363265 760101503 /nfs/dbraw/zinc/10/15/03/760101503.db2.gz KMEHPXVJALWGHI-CNVPUSNMSA-N 1 1 324.337 0.333 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1ccnc(F)c1 ZINC001124519664 768255247 /nfs/dbraw/zinc/25/52/47/768255247.db2.gz ASBSZRLICNNZCH-UHFFFAOYSA-N 1 1 322.300 0.382 20 5 DCBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC001133923969 765233300 /nfs/dbraw/zinc/23/33/00/765233300.db2.gz YGKWNGWNHGTVCZ-LLVKDONJSA-N 1 1 316.321 0.609 20 5 DCBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC001133923969 765233309 /nfs/dbraw/zinc/23/33/09/765233309.db2.gz YGKWNGWNHGTVCZ-LLVKDONJSA-N 1 1 316.321 0.609 20 5 DCBDMO C[N@H+]1CC[C@H]1CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001134143475 765381463 /nfs/dbraw/zinc/38/14/63/765381463.db2.gz AEFKBDHJGYZJTA-ZDUSSCGKSA-N 1 1 320.349 0.535 20 5 DCBDMO COC(=O)c1cc([N+](=O)[O-])c(N[C@@H](N)CCC[NH3+])cc1OC ZINC001170900094 766250427 /nfs/dbraw/zinc/25/04/27/766250427.db2.gz IMAQZGQARJILSP-GFCCVEGCSA-N 1 1 312.326 0.826 20 5 DCBDMO Cc1c[nH+]cn1CC(=O)NCCN(C)c1ncccc1[N+](=O)[O-] ZINC001100240985 766353075 /nfs/dbraw/zinc/35/30/75/766353075.db2.gz ZBLJFJBYINVOOP-UHFFFAOYSA-N 1 1 318.337 0.747 20 5 DCBDMO C[NH+]1CCN(CC2CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)CC1 ZINC001118707947 766411837 /nfs/dbraw/zinc/41/18/37/766411837.db2.gz NMSNMPUAHVIMEB-UHFFFAOYSA-N 1 1 307.354 0.242 20 5 DCBDMO CCn1c(C[N+](=O)[O-])nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001121791233 767636314 /nfs/dbraw/zinc/63/63/14/767636314.db2.gz DXMKTHFZUUHMCA-GFCCVEGCSA-N 1 1 324.385 0.376 20 5 DCBDMO C[C@@H]1CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C[C@H](C)[N@H+]1CCO ZINC001140911629 768554373 /nfs/dbraw/zinc/55/43/73/768554373.db2.gz QMMFUQIJYKVPCD-AOOOYVTPSA-N 1 1 323.353 0.099 20 5 DCBDMO C[C@@H]1CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1CCO ZINC001140911629 768554380 /nfs/dbraw/zinc/55/43/80/768554380.db2.gz QMMFUQIJYKVPCD-AOOOYVTPSA-N 1 1 323.353 0.099 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001171741516 769376696 /nfs/dbraw/zinc/37/66/96/769376696.db2.gz OIHHKOSMSQSEMN-CMPLNLGQSA-N 1 1 322.321 0.187 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001171741516 769376705 /nfs/dbraw/zinc/37/67/05/769376705.db2.gz OIHHKOSMSQSEMN-CMPLNLGQSA-N 1 1 322.321 0.187 20 5 DCBDMO C[N@@H+]1CC[C@H](Oc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC001233623251 769412064 /nfs/dbraw/zinc/41/20/64/769412064.db2.gz JFYYSLJDGGSLQX-VIFPVBQESA-N 1 1 301.324 0.325 20 5 DCBDMO C[N@H+]1CC[C@H](Oc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC001233623251 769412068 /nfs/dbraw/zinc/41/20/68/769412068.db2.gz JFYYSLJDGGSLQX-VIFPVBQESA-N 1 1 301.324 0.325 20 5 DCBDMO NC(=O)[C@@H](C1CC1)[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC1CC1 ZINC001175503311 769914744 /nfs/dbraw/zinc/91/47/44/769914744.db2.gz KSURLVHBQVLOKB-CYBMUJFWSA-N 1 1 307.354 0.767 20 5 DCBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)[C@@H](C)C1 ZINC001155147012 770413450 /nfs/dbraw/zinc/41/34/50/770413450.db2.gz XUZIRNJSFGBBMQ-WDEREUQCSA-N 1 1 322.365 0.704 20 5 DCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)[C@@H](C)C1 ZINC001155147012 770413453 /nfs/dbraw/zinc/41/34/53/770413453.db2.gz XUZIRNJSFGBBMQ-WDEREUQCSA-N 1 1 322.365 0.704 20 5 DCBDMO COc1c(O)ccc(CNC[C@]2(O)CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001180594550 771146409 /nfs/dbraw/zinc/14/64/09/771146409.db2.gz SVNPNLHYVIZIKJ-CQSZACIVSA-N 1 1 311.338 0.465 20 5 DCBDMO COc1c(O)ccc(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1[N+](=O)[O-] ZINC001181880519 771363424 /nfs/dbraw/zinc/36/34/24/771363424.db2.gz XDVOZZMEONXJNY-DTORHVGOSA-N 1 1 321.289 0.013 20 5 DCBDMO COc1c(O)ccc(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1[N+](=O)[O-] ZINC001181880519 771363426 /nfs/dbraw/zinc/36/34/26/771363426.db2.gz XDVOZZMEONXJNY-DTORHVGOSA-N 1 1 321.289 0.013 20 5 DCBDMO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC([NH2+]C2COC2)C1 ZINC001157602300 771639752 /nfs/dbraw/zinc/63/97/52/771639752.db2.gz UZHKFOYWZPTRHR-HUUCEWRRSA-N 1 1 317.345 0.898 20 5 DCBDMO O=C(NCCC[NH2+]Cc1ccc(Cl)nc1)[C@@H]1CC1[N+](=O)[O-] ZINC001157760333 771664450 /nfs/dbraw/zinc/66/44/50/771664450.db2.gz CGNJUIORGXDNJT-GHMZBOCLSA-N 1 1 312.757 0.996 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cnc(N)c([N+](=O)[O-])c3)[C@H]2C1 ZINC001159885487 771973031 /nfs/dbraw/zinc/97/30/31/771973031.db2.gz OMIOCHFFRAKDCB-INTQDDNPSA-N 1 1 305.338 0.642 20 5 DCBDMO Cc1cc(Cl)nc(NCCN2CC[NH2+]CC2=O)c1[N+](=O)[O-] ZINC001161019631 772150868 /nfs/dbraw/zinc/15/08/68/772150868.db2.gz RFBJOJUQYDXAEI-UHFFFAOYSA-N 1 1 313.745 0.795 20 5 DCBDMO Cn1cc([N+](=O)[O-])c(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC001162351459 772365443 /nfs/dbraw/zinc/36/54/43/772365443.db2.gz OUJBVXXIWZUPSE-SNVBAGLBSA-N 1 1 310.358 0.328 20 5 DCBDMO C[C@H]1C[N@@H+](CCO)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001195094138 773324775 /nfs/dbraw/zinc/32/47/75/773324775.db2.gz MXHPGRZPMIDYBN-SWLSCSKDSA-N 1 1 309.366 0.627 20 5 DCBDMO C[C@@H]1C[N@@H+](CCO)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001195094137 773325273 /nfs/dbraw/zinc/32/52/73/773325273.db2.gz MXHPGRZPMIDYBN-IUODEOHRSA-N 1 1 309.366 0.627 20 5 DCBDMO CO[C@@H]1CC[N@@H+](CCOc2ncc([N+](=O)[O-])c3nc[nH]c32)C1 ZINC001227691878 775997037 /nfs/dbraw/zinc/99/70/37/775997037.db2.gz RMPKXXHTIVGTSA-SECBINFHSA-N 1 1 307.310 0.966 20 5 DCBDMO CO[C@@H]1CC[N@H+](CCOc2[nH]cc([N+](=O)[O-])c3ncnc2-3)C1 ZINC001227691878 775997043 /nfs/dbraw/zinc/99/70/43/775997043.db2.gz RMPKXXHTIVGTSA-SECBINFHSA-N 1 1 307.310 0.966 20 5 DCBDMO CO[C@@H]1CC[N@@H+](CCOc2[nH]cc([N+](=O)[O-])c3ncnc2-3)C1 ZINC001227691878 775997052 /nfs/dbraw/zinc/99/70/52/775997052.db2.gz RMPKXXHTIVGTSA-SECBINFHSA-N 1 1 307.310 0.966 20 5 DCBDMO CC(C)[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cnn(C)c1 ZINC001317687362 945166336 /nfs/dbraw/zinc/16/63/36/945166336.db2.gz YALDQOMBCRNGEM-ZIAGYGMSSA-N 1 1 323.397 0.802 20 5 DCBDMO CC(C)[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cnn(C)c1 ZINC001317687362 945166342 /nfs/dbraw/zinc/16/63/42/945166342.db2.gz YALDQOMBCRNGEM-ZIAGYGMSSA-N 1 1 323.397 0.802 20 5 DCBDMO CC(C)[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cnn(C)c1 ZINC001317687362 945166345 /nfs/dbraw/zinc/16/63/45/945166345.db2.gz YALDQOMBCRNGEM-ZIAGYGMSSA-N 1 1 323.397 0.802 20 5 DCBDMO Cn1cncc1C[NH2+]CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001481896578 940175225 /nfs/dbraw/zinc/17/52/25/940175225.db2.gz VMVKIQDJECADEI-CHWSQXEVSA-N 1 1 321.381 0.604 20 5 DCBDMO CCN(CC[NH2+]CCc1ccns1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001320735270 946000116 /nfs/dbraw/zinc/00/01/16/946000116.db2.gz WEVYUCUEHNRPST-VXGBXAGGSA-N 1 1 312.395 0.789 20 5 DCBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001322844096 946832987 /nfs/dbraw/zinc/83/29/87/946832987.db2.gz FAEILEDREIZDSI-LBPRGKRZSA-N 1 1 320.349 0.453 20 5 DCBDMO Cc1n[nH]c(C(=O)NCCCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001325124153 947667049 /nfs/dbraw/zinc/66/70/49/947667049.db2.gz XHRSVENHYIUMEE-UHFFFAOYSA-N 1 1 324.385 0.384 20 5 DCBDMO Cc1nnc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1C ZINC001329140870 949385673 /nfs/dbraw/zinc/38/56/73/949385673.db2.gz IKZXYRRLIXGJPL-LLVKDONJSA-N 1 1 321.337 0.561 20 5 DCBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001330308638 950266220 /nfs/dbraw/zinc/26/62/20/950266220.db2.gz ZXGCPNDCISFTBV-RYUDHWBXSA-N 1 1 320.349 0.452 20 5 DCBDMO CC(C)=CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001274515850 951676228 /nfs/dbraw/zinc/67/62/28/951676228.db2.gz LRJFKBVGAWELDD-CHWSQXEVSA-N 1 1 311.382 0.561 20 5 DCBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)C[C@]1(O)CCOC1)CC2 ZINC001334613348 952358464 /nfs/dbraw/zinc/35/84/64/952358464.db2.gz IBBZCTIJLWQKCX-JKSUJKDBSA-N 1 1 322.361 0.855 20 5 DCBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)C[C@]1(O)CCOC1)CC2 ZINC001334613348 952358473 /nfs/dbraw/zinc/35/84/73/952358473.db2.gz IBBZCTIJLWQKCX-JKSUJKDBSA-N 1 1 322.361 0.855 20 5 DCBDMO CCN1CC[NH+](CCCNC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC001336700166 952754611 /nfs/dbraw/zinc/75/46/11/952754611.db2.gz YGVWINDVPQMYIT-UHFFFAOYSA-N 1 1 324.385 0.086 20 5 DCBDMO CC(=O)c1cc(NCC(=O)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001339559217 953102922 /nfs/dbraw/zinc/10/29/22/953102922.db2.gz IHDOUVIJZPJZMC-UHFFFAOYSA-N 1 1 320.349 0.983 20 5 DCBDMO C[NH+]1CCN(C(=O)CNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC001350849005 955204199 /nfs/dbraw/zinc/20/41/99/955204199.db2.gz JUJWHYOSGTXXHF-UHFFFAOYSA-N 1 1 324.312 0.238 20 5 DCBDMO Cc1n[nH]c(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c1[N+](=O)[O-] ZINC001449805344 1014690556 /nfs/dbraw/zinc/69/05/56/1014690556.db2.gz YQZWSVWQORTGRV-JTQLQIEISA-N 1 1 311.342 0.203 20 5 DCBDMO CC(C)(O)[C@@H](O)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001473529074 1016937890 /nfs/dbraw/zinc/93/78/90/1016937890.db2.gz PMZZMAPFWMDXIT-LBPRGKRZSA-N 1 1 310.354 0.244 20 5 DCBDMO Nc1ncc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC001443765588 1010640931 /nfs/dbraw/zinc/64/09/31/1010640931.db2.gz DQZOPTVZXQWAOG-LLVKDONJSA-N 1 1 305.338 0.786 20 5 DCBDMO CC1(C)[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H]1[NH+]1CCOCC1 ZINC001557319329 1012274242 /nfs/dbraw/zinc/27/42/42/1012274242.db2.gz ZODZZHNOUVSHPR-QWRGUYRKSA-N 1 1 323.353 0.547 20 5 DCBDMO CC[C@]1(CO)CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000187519005 529425023 /nfs/dbraw/zinc/42/50/23/529425023.db2.gz PYIFDUICIIXYCZ-KBPBESRZSA-N 1 1 312.370 0.637 20 5 DCBDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173593947 198231212 /nfs/dbraw/zinc/23/12/12/198231212.db2.gz BCIGTTWJLMGRIQ-ZDUSSCGKSA-N 1 1 320.393 0.889 20 5 DCBDMO CC[N@@H+](C)C[C@@H](O)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000310325617 291251818 /nfs/dbraw/zinc/25/18/18/291251818.db2.gz AKNRWUOREXBQQT-SSDOTTSWSA-N 1 1 307.148 0.866 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])c(OCc2noc(C[NH3+])n2)c1 ZINC000566853276 291326172 /nfs/dbraw/zinc/32/61/72/291326172.db2.gz JRTWTPKSWQEPIP-UHFFFAOYSA-N 1 1 308.250 0.802 20 5 DCBDMO C[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CC[N@H+]1CC(C)(C)O ZINC000275445896 212337960 /nfs/dbraw/zinc/33/79/60/212337960.db2.gz GGNXMPCMRKFDGR-SECBINFHSA-N 1 1 310.358 0.248 20 5 DCBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000420823606 240064783 /nfs/dbraw/zinc/06/47/83/240064783.db2.gz VMSLMOKHFDJZRG-LLVKDONJSA-N 1 1 310.358 0.527 20 5 DCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000264801813 204167178 /nfs/dbraw/zinc/16/71/78/204167178.db2.gz WMXSVSDAJHMCGQ-NPQIQWPPSA-N 1 1 318.377 0.970 20 5 DCBDMO COCC[N@H+]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000266105522 205101021 /nfs/dbraw/zinc/10/10/21/205101021.db2.gz LPWNWHAJHZTGDP-ZDUSSCGKSA-N 1 1 307.350 0.974 20 5 DCBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000347821252 254194847 /nfs/dbraw/zinc/19/48/47/254194847.db2.gz IYCBGRIHXCPGLJ-SECBINFHSA-N 1 1 304.310 0.517 20 5 DCBDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H](C)C1 ZINC000271653944 209097907 /nfs/dbraw/zinc/09/79/07/209097907.db2.gz IRSCKQQLUGYLNE-JTQLQIEISA-N 1 1 324.337 0.632 20 5 DCBDMO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H](C)C1 ZINC000271653944 209097911 /nfs/dbraw/zinc/09/79/11/209097911.db2.gz IRSCKQQLUGYLNE-JTQLQIEISA-N 1 1 324.337 0.632 20 5 DCBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000275469627 130324328 /nfs/dbraw/zinc/32/43/28/130324328.db2.gz RGKUYJZPNGIUGF-SNVBAGLBSA-N 1 1 310.354 0.840 20 5 DCBDMO C[C@H](O)C[N@@H+](CCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000289361023 131377670 /nfs/dbraw/zinc/37/76/70/131377670.db2.gz AHCWOJIOIVIEDD-RYUDHWBXSA-N 1 1 314.338 0.010 20 5 DCBDMO CCCNC(=O)C[NH+]1CCC(Nc2c([N+](=O)[O-])ncn2C)CC1 ZINC000029622464 395699198 /nfs/dbraw/zinc/69/91/98/395699198.db2.gz CZVXZHRXQOPXBU-UHFFFAOYSA-N 1 1 324.385 0.731 20 5 DCBDMO C[C@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000193626565 395774475 /nfs/dbraw/zinc/77/44/75/395774475.db2.gz VKNNQBVMPYQJDX-TVQRCGJNSA-N 1 1 306.322 0.648 20 5 DCBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000115438535 395840027 /nfs/dbraw/zinc/84/00/27/395840027.db2.gz SNKSGJUWKXMTSV-LBPRGKRZSA-N 1 1 322.365 0.557 20 5 DCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000271191076 395845849 /nfs/dbraw/zinc/84/58/49/395845849.db2.gz SEFZWLUNPZXLHF-JTQLQIEISA-N 1 1 308.342 0.357 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000272503941 395896099 /nfs/dbraw/zinc/89/60/99/395896099.db2.gz OBISSYSFQSMJDC-VXGBXAGGSA-N 1 1 307.354 0.652 20 5 DCBDMO NC(=O)N[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273169626 395904840 /nfs/dbraw/zinc/90/48/40/395904840.db2.gz OQWMEJNEAORDID-WDEREUQCSA-N 1 1 324.337 0.077 20 5 DCBDMO Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000052365339 395862662 /nfs/dbraw/zinc/86/26/62/395862662.db2.gz CBMIMNWIONDSJQ-UHFFFAOYSA-N 1 1 317.305 0.855 20 5 DCBDMO C[N@@H+](CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C1CC1 ZINC000138706035 395953052 /nfs/dbraw/zinc/95/30/52/395953052.db2.gz ZIIMQCCEBYPPFW-UHFFFAOYSA-N 1 1 314.367 0.748 20 5 DCBDMO C[C@@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000154817406 396042820 /nfs/dbraw/zinc/04/28/20/396042820.db2.gz IMVVRKQBJREDTC-NOZJJQNGSA-N 1 1 308.338 0.825 20 5 DCBDMO C[C@@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000154817406 396042825 /nfs/dbraw/zinc/04/28/25/396042825.db2.gz IMVVRKQBJREDTC-NOZJJQNGSA-N 1 1 308.338 0.825 20 5 DCBDMO CC(C)[N@H+]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000068776687 396063413 /nfs/dbraw/zinc/06/34/13/396063413.db2.gz VNQCHDKSVCXSCU-UHFFFAOYSA-N 1 1 322.365 0.699 20 5 DCBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000177777474 396183165 /nfs/dbraw/zinc/18/31/65/396183165.db2.gz KZOWTXNZHCKXAV-NEPJUHHUSA-N 1 1 307.354 0.877 20 5 DCBDMO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[NH+](CCO)CC1 ZINC000078541930 396247788 /nfs/dbraw/zinc/24/77/88/396247788.db2.gz HTPJUHGDTQAZBE-UHFFFAOYSA-N 1 1 322.365 0.533 20 5 DCBDMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000186917171 396360683 /nfs/dbraw/zinc/36/06/83/396360683.db2.gz LZGQIQSKGZNEIF-SECBINFHSA-N 1 1 311.342 0.235 20 5 DCBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000186917171 396360685 /nfs/dbraw/zinc/36/06/85/396360685.db2.gz LZGQIQSKGZNEIF-SECBINFHSA-N 1 1 311.342 0.235 20 5 DCBDMO COc1cc(C(=O)N2CC[NH+](C[C@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000189735151 396398210 /nfs/dbraw/zinc/39/82/10/396398210.db2.gz VWMUICKTOGFNQV-NSHDSACASA-N 1 1 323.349 0.742 20 5 DCBDMO C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1CC(C)(C)O ZINC000189955055 396400770 /nfs/dbraw/zinc/40/07/70/396400770.db2.gz KYKBIGJJXDURSG-LBPRGKRZSA-N 1 1 311.386 0.568 20 5 DCBDMO C[N@@H+]1C[C@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000192519719 396432602 /nfs/dbraw/zinc/43/26/02/396432602.db2.gz FHYLDGQKOQEXTG-TXEJJXNPSA-N 1 1 305.334 0.994 20 5 DCBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269677048 396435624 /nfs/dbraw/zinc/43/56/24/396435624.db2.gz HJDJNQSXUQSHPP-GFCCVEGCSA-N 1 1 322.365 0.747 20 5 DCBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000371452090 396467047 /nfs/dbraw/zinc/46/70/47/396467047.db2.gz QAVUVQDEEOZPRZ-NEPJUHHUSA-N 1 1 307.354 0.924 20 5 DCBDMO CC[N@H+]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000595535964 396626767 /nfs/dbraw/zinc/62/67/67/396626767.db2.gz KOYVWXNRLVAFNE-TZMCWYRMSA-N 1 1 311.386 0.568 20 5 DCBDMO CCN1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000595535964 396626770 /nfs/dbraw/zinc/62/67/70/396626770.db2.gz KOYVWXNRLVAFNE-TZMCWYRMSA-N 1 1 311.386 0.568 20 5 DCBDMO CCN1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000595535964 396626772 /nfs/dbraw/zinc/62/67/72/396626772.db2.gz KOYVWXNRLVAFNE-TZMCWYRMSA-N 1 1 311.386 0.568 20 5 DCBDMO NC(=O)c1cc(N2CC[NH+]([C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000596167866 396726481 /nfs/dbraw/zinc/72/64/81/396726481.db2.gz OXWKRLSABONVAK-GFCCVEGCSA-N 1 1 320.349 0.605 20 5 DCBDMO Nc1c(C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000588862460 396695931 /nfs/dbraw/zinc/69/59/31/396695931.db2.gz BRFBKASRIDNOAI-QWRGUYRKSA-N 1 1 320.349 0.458 20 5 DCBDMO COCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596063446 396713548 /nfs/dbraw/zinc/71/35/48/396713548.db2.gz SCKSZQWTJXNNSI-UHFFFAOYSA-N 1 1 308.338 0.462 20 5 DCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596104253 396717510 /nfs/dbraw/zinc/71/75/10/396717510.db2.gz IQPCRDGQQGGCPJ-JTQLQIEISA-N 1 1 323.353 0.695 20 5 DCBDMO Cn1c(C(=O)N2CC[NH+](C(C)(C)CO)CC2)ccc1[N+](=O)[O-] ZINC000611516161 396878377 /nfs/dbraw/zinc/87/83/77/396878377.db2.gz XTAAQDYXTKYTSR-UHFFFAOYSA-N 1 1 310.354 0.462 20 5 DCBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600534401 396885101 /nfs/dbraw/zinc/88/51/01/396885101.db2.gz PEONDSUWZODERG-GFCCVEGCSA-N 1 1 311.313 0.459 20 5 DCBDMO CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000572831123 397098812 /nfs/dbraw/zinc/09/88/12/397098812.db2.gz YXXXJPIMLISNNY-SNVBAGLBSA-N 1 1 314.367 0.705 20 5 DCBDMO CCCN(C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@@H+](C)C1 ZINC000591989627 397054967 /nfs/dbraw/zinc/05/49/67/397054967.db2.gz MAEPGTOWHDZBIU-GFCCVEGCSA-N 1 1 324.385 0.917 20 5 DCBDMO CN(C)[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000572971880 397117803 /nfs/dbraw/zinc/11/78/03/397117803.db2.gz LOXKXZWCWLLZDM-KBPBESRZSA-N 1 1 322.365 0.530 20 5 DCBDMO CN(C)[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000572971880 397117808 /nfs/dbraw/zinc/11/78/08/397117808.db2.gz LOXKXZWCWLLZDM-KBPBESRZSA-N 1 1 322.365 0.530 20 5 DCBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000574447513 397268203 /nfs/dbraw/zinc/26/82/03/397268203.db2.gz KWEFMOIRSWNBDD-UHFFFAOYSA-N 1 1 311.342 0.501 20 5 DCBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@@H]2COCC[NH2+]2)c1 ZINC000599104521 397337913 /nfs/dbraw/zinc/33/79/13/397337913.db2.gz CTTSGPAQYGYRRB-LLVKDONJSA-N 1 1 315.351 0.003 20 5 DCBDMO COC(=O)c1ccnc(NCC[N@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000599175399 397353896 /nfs/dbraw/zinc/35/38/96/397353896.db2.gz ANASYDHNKCGUQG-SECBINFHSA-N 1 1 310.310 0.255 20 5 DCBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593857394 397457248 /nfs/dbraw/zinc/45/72/48/397457248.db2.gz ZDKRMBGEZFKQPG-GFCCVEGCSA-N 1 1 321.333 0.494 20 5 DCBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593857394 397457253 /nfs/dbraw/zinc/45/72/53/397457253.db2.gz ZDKRMBGEZFKQPG-GFCCVEGCSA-N 1 1 321.333 0.494 20 5 DCBDMO O=[N+]([O-])c1cnn(CCN2CCC([NH+]3CCOCC3)CC2)c1 ZINC000599472938 397451280 /nfs/dbraw/zinc/45/12/80/397451280.db2.gz RYFCGDRRKUVLSZ-UHFFFAOYSA-N 1 1 309.370 0.588 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000602784846 397484835 /nfs/dbraw/zinc/48/48/35/397484835.db2.gz JJUQXBUWBPEKDJ-LBPRGKRZSA-N 1 1 307.354 0.843 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000602784846 397484838 /nfs/dbraw/zinc/48/48/38/397484838.db2.gz JJUQXBUWBPEKDJ-LBPRGKRZSA-N 1 1 307.354 0.843 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000602810621 397492212 /nfs/dbraw/zinc/49/22/12/397492212.db2.gz HFUREBDPJGOBEY-VXGBXAGGSA-N 1 1 311.386 0.487 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@@H+](C)C[C@H]1CO ZINC000602906737 397520320 /nfs/dbraw/zinc/52/03/20/397520320.db2.gz ZUNPHGLGXKPSEU-ZDUSSCGKSA-N 1 1 322.365 0.450 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@H+](C)C[C@H]1CO ZINC000602906737 397520326 /nfs/dbraw/zinc/52/03/26/397520326.db2.gz ZUNPHGLGXKPSEU-ZDUSSCGKSA-N 1 1 322.365 0.450 20 5 DCBDMO COCC[N@H+]1CCC[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000609269800 397768460 /nfs/dbraw/zinc/76/84/60/397768460.db2.gz WWEJFAUZPMUQEI-NSHDSACASA-N 1 1 311.342 0.018 20 5 DCBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000318793686 159007097 /nfs/dbraw/zinc/00/70/97/159007097.db2.gz ZQTRCWHHAFDUPE-NXEZZACHSA-N 1 1 305.338 0.929 20 5 DCBDMO NC(=O)c1ccc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000321654737 159010578 /nfs/dbraw/zinc/01/05/78/159010578.db2.gz QDNRZFJAOSIGFM-NEPJUHHUSA-N 1 1 320.349 0.969 20 5 DCBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000330524283 159185904 /nfs/dbraw/zinc/18/59/04/159185904.db2.gz JUNBCZNWISJXFP-GFCCVEGCSA-N 1 1 322.365 0.557 20 5 DCBDMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000330537808 159188519 /nfs/dbraw/zinc/18/85/19/159188519.db2.gz QLJRUIVIANGSAG-GFCCVEGCSA-N 1 1 322.365 0.555 20 5 DCBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000330537808 159188520 /nfs/dbraw/zinc/18/85/20/159188520.db2.gz QLJRUIVIANGSAG-GFCCVEGCSA-N 1 1 322.365 0.555 20 5 DCBDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000330603038 159201041 /nfs/dbraw/zinc/20/10/41/159201041.db2.gz XAKUMVUEOTVAHW-WDEREUQCSA-N 1 1 308.338 0.308 20 5 DCBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000330603038 159201043 /nfs/dbraw/zinc/20/10/43/159201043.db2.gz XAKUMVUEOTVAHW-WDEREUQCSA-N 1 1 308.338 0.308 20 5 DCBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000367768435 159355321 /nfs/dbraw/zinc/35/53/21/159355321.db2.gz ABCKLKCFIHBHDF-YUMQZZPRSA-N 1 1 321.305 0.712 20 5 DCBDMO C[C@@H]1C[NH2+]CCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420411382 287296264 /nfs/dbraw/zinc/29/62/64/287296264.db2.gz BWKGIEUJRLSBIZ-LLVKDONJSA-N 1 1 313.379 0.761 20 5 DCBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000268248059 415183986 /nfs/dbraw/zinc/18/39/86/415183986.db2.gz WKMVYUJICMHWPW-PELKAZGASA-N 1 1 306.322 0.908 20 5 DCBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](CCO)CCCO ZINC000273391657 415324380 /nfs/dbraw/zinc/32/43/80/415324380.db2.gz VAOHLCDNMIYIAB-GFCCVEGCSA-N 1 1 314.338 0.011 20 5 DCBDMO C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CC(N)=O ZINC000343738590 415705901 /nfs/dbraw/zinc/70/59/01/415705901.db2.gz FEUITVSBXPINQS-UHFFFAOYSA-N 1 1 308.294 0.310 20 5 DCBDMO C[N@@H+](CCOCCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000337468902 415966205 /nfs/dbraw/zinc/96/62/05/415966205.db2.gz VCAZNZLTAQPGOX-UHFFFAOYSA-N 1 1 311.338 0.864 20 5 DCBDMO CO[C@H]1C[C@H](CN(C)C(=O)c2cc([N+](=O)[O-])nn2C)[N@@H+](C)C1 ZINC000344510027 415934295 /nfs/dbraw/zinc/93/42/95/415934295.db2.gz KNIXUPFPQWYYMX-ZJUUUORDSA-N 1 1 311.342 0.119 20 5 DCBDMO CC[N@H+]1CCC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000338079093 416041852 /nfs/dbraw/zinc/04/18/52/416041852.db2.gz JSEFCZUWRITWDS-GFCCVEGCSA-N 1 1 322.365 0.605 20 5 DCBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNc2ccc([N+](=O)[O-])cn2)C1 ZINC000301183314 416077911 /nfs/dbraw/zinc/07/79/11/416077911.db2.gz OCXBUBUZERMKHA-LLVKDONJSA-N 1 1 307.354 0.989 20 5 DCBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2CN2CCOCC2)c1 ZINC000174877990 416090445 /nfs/dbraw/zinc/09/04/45/416090445.db2.gz OFKARHOTDRJHHN-CYBMUJFWSA-N 1 1 309.370 0.588 20 5 DCBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2CN2CCOCC2)n1 ZINC000176270007 416123478 /nfs/dbraw/zinc/12/34/78/416123478.db2.gz XWSNJSPEBPCWPG-CYBMUJFWSA-N 1 1 309.370 0.588 20 5 DCBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000358084472 416188523 /nfs/dbraw/zinc/18/85/23/416188523.db2.gz WNXPLXUGHXVXNI-OAHLLOKOSA-N 1 1 318.333 0.873 20 5 DCBDMO COCC[N@@H+](C)CCNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000192496086 416306553 /nfs/dbraw/zinc/30/65/53/416306553.db2.gz ACIOQVBNQKPLPP-UHFFFAOYSA-N 1 1 311.338 0.911 20 5 DCBDMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000331423129 416311680 /nfs/dbraw/zinc/31/16/80/416311680.db2.gz XGJNUTHTHGRTIJ-NSHDSACASA-N 1 1 308.338 0.717 20 5 DCBDMO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1C[N@H+]2CCN1CCC2 ZINC000360833866 416413485 /nfs/dbraw/zinc/41/34/85/416413485.db2.gz YSZJQJIIVZXXEM-OAHLLOKOSA-N 1 1 318.377 0.643 20 5 DCBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000458567657 416481160 /nfs/dbraw/zinc/48/11/60/416481160.db2.gz OJZLRTNEQXSRDW-GFCCVEGCSA-N 1 1 324.385 0.917 20 5 DCBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000594292540 416558459 /nfs/dbraw/zinc/55/84/59/416558459.db2.gz RBXXONQIMSKHEK-SNVBAGLBSA-N 1 1 323.353 0.413 20 5 DCBDMO Cn1cc[nH+]c1N1CCC(Nc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000364608415 416588883 /nfs/dbraw/zinc/58/88/83/416588883.db2.gz RCIIBNCRRKZVGB-UHFFFAOYSA-N 1 1 318.341 0.781 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000368664787 416682042 /nfs/dbraw/zinc/68/20/42/416682042.db2.gz YNPWSUIRVXYCFW-GHMZBOCLSA-N 1 1 309.322 0.859 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H](n3ccnn3)C2)c1 ZINC000425505741 416711385 /nfs/dbraw/zinc/71/13/85/416711385.db2.gz ZBZLVWBSNJJTTC-DGCLKSJQSA-N 1 1 321.341 0.081 20 5 DCBDMO CNc1c(C(=O)N2CC[NH+](C[C@H](C)O)CC2)cccc1[N+](=O)[O-] ZINC000428507459 416905018 /nfs/dbraw/zinc/90/50/18/416905018.db2.gz FGHPCNAVTFCTSG-NSHDSACASA-N 1 1 322.365 0.775 20 5 DCBDMO C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)NCC[NH+](C)C ZINC000565960834 417035000 /nfs/dbraw/zinc/03/50/00/417035000.db2.gz NYBMAFCIKKWMBY-SECBINFHSA-N 1 1 324.337 0.097 20 5 DCBDMO Cc1nc(NC[C@H]2C[N@@H+](CC(C)C)CCO2)ncc1[N+](=O)[O-] ZINC000450222666 417210550 /nfs/dbraw/zinc/21/05/50/417210550.db2.gz FMWJEQYRJBZCQE-LBPRGKRZSA-N 1 1 309.370 1.462 20 5 DCBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000577073040 417661087 /nfs/dbraw/zinc/66/10/87/417661087.db2.gz IRGDFLQFJCJWKF-SECBINFHSA-N 1 1 318.337 1.143 20 5 DCBDMO CC(C)[N@@H+](C)C[C@@H](O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000324089943 261178943 /nfs/dbraw/zinc/17/89/43/261178943.db2.gz HBWAYTXIBXNMMX-LLVKDONJSA-N 1 1 321.333 0.892 20 5 DCBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000354439125 261219176 /nfs/dbraw/zinc/21/91/76/261219176.db2.gz FOZQJJRSKUSRLN-NEPJUHHUSA-N 1 1 320.349 0.500 20 5 DCBDMO CC(C)[C@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000362843017 262080189 /nfs/dbraw/zinc/08/01/89/262080189.db2.gz NRSJXRJUIIBGOJ-CYBMUJFWSA-N 1 1 324.385 0.773 20 5 DCBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000363212719 262106426 /nfs/dbraw/zinc/10/64/26/262106426.db2.gz XOPGENRPQCIMBY-LBPRGKRZSA-N 1 1 307.354 0.878 20 5 DCBDMO C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412252880 262184264 /nfs/dbraw/zinc/18/42/64/262184264.db2.gz QWQFGHVARHGWIS-SQWLQELKSA-N 1 1 319.361 0.881 20 5 DCBDMO CC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000411922563 271230563 /nfs/dbraw/zinc/23/05/63/271230563.db2.gz UXYXYYJAMVNQOY-SNVBAGLBSA-N 1 1 324.312 0.883 20 5 DCBDMO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](CCO)CC1 ZINC000492830261 272152047 /nfs/dbraw/zinc/15/20/47/272152047.db2.gz CQWGALKQXOSYLC-RQOWECAXSA-N 1 1 323.324 0.884 20 5 DCBDMO O=C1OCCN1C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000495910886 272281879 /nfs/dbraw/zinc/28/18/79/272281879.db2.gz BZZBRJLLRJRUKM-LLVKDONJSA-N 1 1 309.326 0.565 20 5 DCBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000547735153 288073915 /nfs/dbraw/zinc/07/39/15/288073915.db2.gz UKVVBRATDVBLEM-UHFFFAOYSA-N 1 1 319.325 0.253 20 5 DCBDMO Cc1ccnc(N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1[N+](=O)[O-] ZINC000576452251 341846945 /nfs/dbraw/zinc/84/69/45/341846945.db2.gz QSQLDDPJGQMEGB-GFCCVEGCSA-N 1 1 319.365 0.699 20 5 DCBDMO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285391123 536324834 /nfs/dbraw/zinc/32/48/34/536324834.db2.gz SLXDMBGZIGGDBZ-SNVBAGLBSA-N 1 1 308.338 0.913 20 5 DCBDMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285391123 536324837 /nfs/dbraw/zinc/32/48/37/536324837.db2.gz SLXDMBGZIGGDBZ-SNVBAGLBSA-N 1 1 308.338 0.913 20 5 DCBDMO O=C1C[NH2+]CCN1Cc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000843219033 658693457 /nfs/dbraw/zinc/69/34/57/658693457.db2.gz QOVLGBMDODVKSK-UHFFFAOYSA-N 1 1 309.307 0.638 20 5 DCBDMO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccccn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983650974 661998465 /nfs/dbraw/zinc/99/84/65/661998465.db2.gz ZGKKBQBRUHSPJN-FMKGYKFTSA-N 1 1 304.350 0.731 20 5 DCBDMO Cc1ncoc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000983656365 662001504 /nfs/dbraw/zinc/00/15/04/662001504.db2.gz AWCXMFLUELTYQL-DDHJBXDOSA-N 1 1 308.338 0.633 20 5 DCBDMO C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000896539478 662284764 /nfs/dbraw/zinc/28/47/64/662284764.db2.gz PCNIIYVTFVROCO-NWDGAFQWSA-N 1 1 300.403 0.572 20 5 DCBDMO C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1CN(C)CC[N@@H+]1C ZINC000896539478 662284769 /nfs/dbraw/zinc/28/47/69/662284769.db2.gz PCNIIYVTFVROCO-NWDGAFQWSA-N 1 1 300.403 0.572 20 5 DCBDMO C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1CN(C)CC[N@H+]1C ZINC000896539478 662284771 /nfs/dbraw/zinc/28/47/71/662284771.db2.gz PCNIIYVTFVROCO-NWDGAFQWSA-N 1 1 300.403 0.572 20 5 DCBDMO C[C@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000730080344 663044924 /nfs/dbraw/zinc/04/49/24/663044924.db2.gz BXJLTTUSHKEPML-JSGCOSHPSA-N 1 1 309.366 0.970 20 5 DCBDMO C[C@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000730080344 663044925 /nfs/dbraw/zinc/04/49/25/663044925.db2.gz BXJLTTUSHKEPML-JSGCOSHPSA-N 1 1 309.366 0.970 20 5 DCBDMO C[C@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000730080344 663044926 /nfs/dbraw/zinc/04/49/26/663044926.db2.gz BXJLTTUSHKEPML-JSGCOSHPSA-N 1 1 309.366 0.970 20 5 DCBDMO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000900804466 663281556 /nfs/dbraw/zinc/28/15/56/663281556.db2.gz MWYCTIKINDYQGF-WFASDCNBSA-N 1 1 320.393 0.888 20 5 DCBDMO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900804466 663281558 /nfs/dbraw/zinc/28/15/58/663281558.db2.gz MWYCTIKINDYQGF-WFASDCNBSA-N 1 1 320.393 0.888 20 5 DCBDMO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CN(C)CC[N@H+]1C ZINC000900804466 663281559 /nfs/dbraw/zinc/28/15/59/663281559.db2.gz MWYCTIKINDYQGF-WFASDCNBSA-N 1 1 320.393 0.888 20 5 DCBDMO COc1cc(OC)cc(N2CC[C@H]([NH2+]CC[N+](=O)[O-])C2=O)c1 ZINC000905149135 663536101 /nfs/dbraw/zinc/53/61/01/663536101.db2.gz RBNYVILDJXDKBR-ZDUSSCGKSA-N 1 1 309.322 0.675 20 5 DCBDMO C[N@@H+]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])[C@@H](CO)C1 ZINC000912736508 664213938 /nfs/dbraw/zinc/21/39/38/664213938.db2.gz WKTBAFUGYISJQA-LLVKDONJSA-N 1 1 311.313 0.411 20 5 DCBDMO C[N@H+]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])[C@@H](CO)C1 ZINC000912736508 664213939 /nfs/dbraw/zinc/21/39/39/664213939.db2.gz WKTBAFUGYISJQA-LLVKDONJSA-N 1 1 311.313 0.411 20 5 DCBDMO Cc1[nH+]ccn1CCCC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000130011144 664619357 /nfs/dbraw/zinc/61/93/57/664619357.db2.gz UBNYTYYRRPLLKA-UHFFFAOYSA-N 1 1 306.326 0.893 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000923428784 667531724 /nfs/dbraw/zinc/53/17/24/667531724.db2.gz RFWVQJMLASWNQK-HUUCEWRRSA-N 1 1 323.397 0.618 20 5 DCBDMO O=C1NCCN1C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885961369 667722568 /nfs/dbraw/zinc/72/25/68/667722568.db2.gz WRDMPSLPLWMYPL-UHFFFAOYSA-N 1 1 305.338 0.979 20 5 DCBDMO Cc1cc(F)cc(C(=O)NC[C@]2(O)CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000762715005 668372918 /nfs/dbraw/zinc/37/29/18/668372918.db2.gz DUYILVSWBMXBLE-CQSZACIVSA-N 1 1 311.313 0.839 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000762721272 668374315 /nfs/dbraw/zinc/37/43/15/668374315.db2.gz KAZDZNRXAFHICF-ZDUSSCGKSA-N 1 1 324.293 0.299 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768891780 668626697 /nfs/dbraw/zinc/62/66/97/668626697.db2.gz MOCKUFHNLZQUAY-JTQLQIEISA-N 1 1 321.380 0.001 20 5 DCBDMO COCC[N@@H+]1[C@H](C)CN(Cc2cn(C)nc2[N+](=O)[O-])C[C@@H]1C ZINC000877606201 668632755 /nfs/dbraw/zinc/63/27/55/668632755.db2.gz TVFUFCMYSXKZCF-TXEJJXNPSA-N 1 1 311.386 0.869 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCNC(=O)CC12CCC2 ZINC000880169476 669170579 /nfs/dbraw/zinc/17/05/79/669170579.db2.gz UWIQHUZSCZBCTR-UHFFFAOYSA-N 1 1 320.349 0.501 20 5 DCBDMO COC(=O)[C@H]1[C@@H]2C[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000794971375 669869341 /nfs/dbraw/zinc/86/93/41/669869341.db2.gz IKAAEFSAVMDIJN-RFQIPJPRSA-N 1 1 306.318 0.979 20 5 DCBDMO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC(C)(C)OC1=O ZINC000795661817 669906607 /nfs/dbraw/zinc/90/66/07/669906607.db2.gz PLVYEPKKZTZWCV-MNOVXSKESA-N 1 1 312.326 0.178 20 5 DCBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC(C)(C)OC1=O ZINC000795661817 669906608 /nfs/dbraw/zinc/90/66/08/669906608.db2.gz PLVYEPKKZTZWCV-MNOVXSKESA-N 1 1 312.326 0.178 20 5 DCBDMO NC(=O)[C@]1(c2ccccc2)CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000840179583 670453475 /nfs/dbraw/zinc/45/34/75/670453475.db2.gz RTHVWEOGMKJWSM-OAHLLOKOSA-N 1 1 315.333 0.878 20 5 DCBDMO NC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000840179583 670453477 /nfs/dbraw/zinc/45/34/77/670453477.db2.gz RTHVWEOGMKJWSM-OAHLLOKOSA-N 1 1 315.333 0.878 20 5 DCBDMO O=C1COc2cc([N+](=O)[O-])c(NCC[N@@H+]3CC[C@H](O)C3)cc2N1 ZINC000858866581 671048447 /nfs/dbraw/zinc/04/84/47/671048447.db2.gz BSWOHONZDCVAQF-VIFPVBQESA-N 1 1 322.321 0.404 20 5 DCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](CCOC1CCC1)C2 ZINC001072724716 694657270 /nfs/dbraw/zinc/65/72/70/694657270.db2.gz BQHXCPPEBJASTN-ZIAGYGMSSA-N 1 1 323.393 0.755 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CCOC1CCC1)C2 ZINC001072724716 694657271 /nfs/dbraw/zinc/65/72/71/694657271.db2.gz BQHXCPPEBJASTN-ZIAGYGMSSA-N 1 1 323.393 0.755 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](CCOC1CCC1)C2 ZINC001072724716 694657272 /nfs/dbraw/zinc/65/72/72/694657272.db2.gz BQHXCPPEBJASTN-ZIAGYGMSSA-N 1 1 323.393 0.755 20 5 DCBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)[C@H]1C[N@@H+](C)CCN1C ZINC001586538796 1166495380 /nfs/dbraw/zinc/49/53/80/1166495380.db2.gz QHPSFCQKUSJSPJ-QMTHXVAHSA-N 1 1 321.381 0.541 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)n1 ZINC001586991736 1166501862 /nfs/dbraw/zinc/50/18/62/1166501862.db2.gz CHCVKLJNNJDLBF-NSHDSACASA-N 1 1 322.365 0.873 20 5 DCBDMO C[C@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H]1O ZINC001590310367 1166858401 /nfs/dbraw/zinc/85/84/01/1166858401.db2.gz VPWCGIHGEFWLMG-QPUJVOFHSA-N 1 1 304.310 0.588 20 5 DCBDMO C[N@@H+](CCOCCO)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001591115852 1167105607 /nfs/dbraw/zinc/10/56/07/1167105607.db2.gz ZKYFSORISGMURS-UHFFFAOYSA-N 1 1 322.325 0.216 20 5 DCBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C)n2)CC1 ZINC001596657034 1167995023 /nfs/dbraw/zinc/99/50/23/1167995023.db2.gz XUXPYBQLWAIXLQ-GFCCVEGCSA-N 1 1 322.365 0.827 20 5 DCBDMO NC(=O)[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccn1 ZINC001621351488 1171408136 /nfs/dbraw/zinc/40/81/36/1171408136.db2.gz OSHVFEMTJWBRSK-ZPPKWKGLSA-N 1 1 316.321 0.706 20 5 DCBDMO Nc1ncc(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC001624812054 1171461042 /nfs/dbraw/zinc/46/10/42/1171461042.db2.gz MURLJOMKQPLPLP-WDEREUQCSA-N 1 1 305.338 0.929 20 5 DCBDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001629833622 1171559361 /nfs/dbraw/zinc/55/93/61/1171559361.db2.gz FVMDJCNVJQQXGF-UKRRQHHQSA-N 1 1 322.365 0.578 20 5 DCBDMO Cc1n[nH]c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC001640128890 1171866916 /nfs/dbraw/zinc/86/69/16/1171866916.db2.gz YDCRZRDPQGPVCQ-MNOVXSKESA-N 1 1 323.353 0.298 20 5 DCBDMO Cc1[nH]nc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1[N+](=O)[O-] ZINC001640128890 1171866926 /nfs/dbraw/zinc/86/69/26/1171866926.db2.gz YDCRZRDPQGPVCQ-MNOVXSKESA-N 1 1 323.353 0.298 20 5 DCBDMO Cc1[nH]nc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC001640128890 1171866935 /nfs/dbraw/zinc/86/69/35/1171866935.db2.gz YDCRZRDPQGPVCQ-MNOVXSKESA-N 1 1 323.353 0.298 20 5 DCBDMO Cc1cnc(NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)c([N+](=O)[O-])c1 ZINC001640539644 1171883076 /nfs/dbraw/zinc/88/30/76/1171883076.db2.gz IUGHHGHQAQZDJM-SWLSCSKDSA-N 1 1 322.365 0.936 20 5 DCBDMO Cc1cnc(NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)c([N+](=O)[O-])c1 ZINC001640539644 1171883084 /nfs/dbraw/zinc/88/30/84/1171883084.db2.gz IUGHHGHQAQZDJM-SWLSCSKDSA-N 1 1 322.365 0.936 20 5 DCBDMO Cc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)c1[N+](=O)[O-] ZINC001642432445 1171945244 /nfs/dbraw/zinc/94/52/44/1171945244.db2.gz UCWCPENDTSRYEP-VIFPVBQESA-N 1 1 311.342 0.201 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3C(N)=O)C[C@@H]2C1 ZINC001642884901 1171960094 /nfs/dbraw/zinc/96/00/94/1171960094.db2.gz PZLYBKYFVXRBKN-ZJUUUORDSA-N 1 1 305.338 0.477 20 5 DCBDMO COC[C@]1(CO)CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001643116883 1171967077 /nfs/dbraw/zinc/96/70/77/1171967077.db2.gz DNJTYWKWPPLDMC-LSDHHAIUSA-N 1 1 310.350 0.959 20 5 DCBDMO C[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])s1)CCOCCO ZINC001643499756 1171978844 /nfs/dbraw/zinc/97/88/44/1171978844.db2.gz CAFMJTVOXCSXRK-UHFFFAOYSA-N 1 1 317.367 0.327 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NCc1c[nH+]c2n1CCC2 ZINC001644626229 1172013172 /nfs/dbraw/zinc/01/31/72/1172013172.db2.gz ITLZAKVPXMXDBS-UHFFFAOYSA-N 1 1 304.310 0.559 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H]2c2ncccn2)c1 ZINC001655124653 1173816852 /nfs/dbraw/zinc/81/68/52/1173816852.db2.gz OZUIZWOMKMCDPP-STQMWFEESA-N 1 1 318.337 0.779 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H]2c2ncccn2)c1 ZINC001655124653 1173816857 /nfs/dbraw/zinc/81/68/57/1173816857.db2.gz OZUIZWOMKMCDPP-STQMWFEESA-N 1 1 318.337 0.779 20 5 DCBDMO C[C@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)Cc2c[nH]nc21 ZINC001655278585 1173818076 /nfs/dbraw/zinc/81/80/76/1173818076.db2.gz UMURCPWFIPUSEI-JOYOIKCWSA-N 1 1 306.326 0.495 20 5 DCBDMO C[C@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)Cc2c[nH]nc21 ZINC001655278585 1173818082 /nfs/dbraw/zinc/81/80/82/1173818082.db2.gz UMURCPWFIPUSEI-JOYOIKCWSA-N 1 1 306.326 0.495 20 5 DCBDMO C[C@@H]1CC[C@H](C(N)=O)[C@H](C)[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC001659189746 1173931370 /nfs/dbraw/zinc/93/13/70/1173931370.db2.gz OHRPLKSBIMOMTD-MDZLAQPJSA-N 1 1 322.365 0.731 20 5 DCBDMO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001670091247 1174980701 /nfs/dbraw/zinc/98/07/01/1174980701.db2.gz UZPGRNXOXUXCAQ-CHWSQXEVSA-N 1 1 322.365 0.694 20 5 DCBDMO CC(C)C[NH2+]C1CCN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001672455928 1175109260 /nfs/dbraw/zinc/10/92/60/1175109260.db2.gz SCKZPGMYNDFDND-ZIAGYGMSSA-N 1 1 312.414 0.478 20 5 DCBDMO C[N@@H+](CCCO)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001717113044 1182681463 /nfs/dbraw/zinc/68/14/63/1182681463.db2.gz SHSZBNQZSQFUHW-HUUCEWRRSA-N 1 1 321.377 0.782 20 5 DCBDMO C[N@H+](CCCO)Cc1ccccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001717113044 1182681468 /nfs/dbraw/zinc/68/14/68/1182681468.db2.gz SHSZBNQZSQFUHW-HUUCEWRRSA-N 1 1 321.377 0.782 20 5 DCBDMO C[N@@H+](CCCO)Cc1ccccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001717113044 1182681470 /nfs/dbraw/zinc/68/14/70/1182681470.db2.gz SHSZBNQZSQFUHW-HUUCEWRRSA-N 1 1 321.377 0.782 20 5 DCBDMO CC(=O)NCC(=O)NCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001753041130 1188482244 /nfs/dbraw/zinc/48/22/44/1188482244.db2.gz GBBYKRHADSMOSO-UHFFFAOYSA-N 1 1 308.338 0.279 20 5 DCBDMO CC(=O)NCC(=O)NCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001753041130 1188482247 /nfs/dbraw/zinc/48/22/47/1188482247.db2.gz GBBYKRHADSMOSO-UHFFFAOYSA-N 1 1 308.338 0.279 20 5 DCBDMO CCC(=O)NCC(=O)NCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001753043593 1188482333 /nfs/dbraw/zinc/48/23/33/1188482333.db2.gz GEKNXIIKHSBMHS-UHFFFAOYSA-N 1 1 322.365 0.669 20 5 DCBDMO CCC(=O)NCC(=O)NCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001753043593 1188482336 /nfs/dbraw/zinc/48/23/36/1188482336.db2.gz GEKNXIIKHSBMHS-UHFFFAOYSA-N 1 1 322.365 0.669 20 5 DCBDMO Cc1nc(Cl)nc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC001164666390 719371109 /nfs/dbraw/zinc/37/11/09/719371109.db2.gz FXAFLQZKOLBKCO-DTWKUNHWSA-N 1 1 313.745 0.866 20 5 DCBDMO COc1nc(N2CCc3[nH+]ccn3CC2)nc(OC)c1[N+](=O)[O-] ZINC001167182313 747012362 /nfs/dbraw/zinc/01/23/62/747012362.db2.gz LUWFRSPRYCFAQU-UHFFFAOYSA-N 1 1 320.309 0.661 20 5 DCBDMO CCOC(=O)c1cccc([N+](=O)[O-])c1-n1cnc(C[NH3+])cc1=N ZINC001167358929 747132124 /nfs/dbraw/zinc/13/21/24/747132124.db2.gz BJCSQGUCENIIHN-UHFFFAOYSA-N 1 1 317.305 0.895 20 5 DCBDMO COC(=O)c1cc([N+](=O)[O-])cc(-n2cnc(C[NH3+])cc2=N)c1 ZINC001167359900 747132237 /nfs/dbraw/zinc/13/22/37/747132237.db2.gz WAUQFNWTYGNUCH-UHFFFAOYSA-N 1 1 303.278 0.505 20 5 DCBDMO COc1cccc(CCC[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001126939371 750151792 /nfs/dbraw/zinc/15/17/92/750151792.db2.gz VSPWQASYSDJFCP-HUUCEWRRSA-N 1 1 321.377 0.999 20 5 DCBDMO Cc1cc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)on1 ZINC001048813083 754954734 /nfs/dbraw/zinc/95/47/34/754954734.db2.gz ZEOCSCLTRTYVNT-ZMJPVWNMSA-N 1 1 320.349 0.538 20 5 DCBDMO Cc1cc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)on1 ZINC001048813083 754954737 /nfs/dbraw/zinc/95/47/37/754954737.db2.gz ZEOCSCLTRTYVNT-ZMJPVWNMSA-N 1 1 320.349 0.538 20 5 DCBDMO Cc1cc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)on1 ZINC001048813083 754954740 /nfs/dbraw/zinc/95/47/40/754954740.db2.gz ZEOCSCLTRTYVNT-ZMJPVWNMSA-N 1 1 320.349 0.538 20 5 DCBDMO Cn1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001086363447 760101366 /nfs/dbraw/zinc/10/13/66/760101366.db2.gz VEBIXDKSJIWFGX-OJAKKHQRSA-N 1 1 307.354 0.070 20 5 DCBDMO O=C(Cn1ccc([N+](=O)[O-])n1)OC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC001123249067 767954049 /nfs/dbraw/zinc/95/40/49/767954049.db2.gz XAJVJRLKMNBEFM-LBPRGKRZSA-N 1 1 324.337 0.588 20 5 DCBDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2C[C@](O)(C(F)(F)F)C[C@H]2CO)C1 ZINC001169013448 760543912 /nfs/dbraw/zinc/54/39/12/760543912.db2.gz VHHBWXQVFVMWBJ-VLEAKVRGSA-N 1 1 312.288 0.792 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CC(F)(F)F ZINC001124419141 768235320 /nfs/dbraw/zinc/23/53/20/768235320.db2.gz BHQZRMRNXRHXAU-UHFFFAOYSA-N 1 1 309.248 0.487 20 5 DCBDMO Cc1nnc([C@@H]2CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)[nH]1 ZINC001171217239 767020102 /nfs/dbraw/zinc/02/01/02/767020102.db2.gz OMNOKEQARICQHV-ZYHUDNBSSA-N 1 1 321.341 0.068 20 5 DCBDMO Cc1n[nH]c([C@@H]2CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC001171217239 767020114 /nfs/dbraw/zinc/02/01/14/767020114.db2.gz OMNOKEQARICQHV-ZYHUDNBSSA-N 1 1 321.341 0.068 20 5 DCBDMO Cc1n[nH]c([C@@H]2CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC001171217239 767020125 /nfs/dbraw/zinc/02/01/25/767020125.db2.gz OMNOKEQARICQHV-ZYHUDNBSSA-N 1 1 321.341 0.068 20 5 DCBDMO Cc1nc([C@@H]2CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC001171217239 767020135 /nfs/dbraw/zinc/02/01/35/767020135.db2.gz OMNOKEQARICQHV-ZYHUDNBSSA-N 1 1 321.341 0.068 20 5 DCBDMO Cc1nc([C@@H]2CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC001171217239 767020148 /nfs/dbraw/zinc/02/01/48/767020148.db2.gz OMNOKEQARICQHV-ZYHUDNBSSA-N 1 1 321.341 0.068 20 5 DCBDMO COc1nscc1C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157767492 771665771 /nfs/dbraw/zinc/66/57/71/771665771.db2.gz OPSCWUWFUFMLBT-NXEZZACHSA-N 1 1 314.367 0.413 20 5 DCBDMO COC(=O)[C@@H]1C[N@H+](C)CCN1c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001157771969 771667497 /nfs/dbraw/zinc/66/74/97/771667497.db2.gz BJPCXMYHIHWBMN-NSHDSACASA-N 1 1 319.321 0.765 20 5 DCBDMO COC(=O)[C@@H]1C[N@@H+](C)CCN1c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001157771969 771667500 /nfs/dbraw/zinc/66/75/00/771667500.db2.gz BJPCXMYHIHWBMN-NSHDSACASA-N 1 1 319.321 0.765 20 5 DCBDMO CCOc1cc(C[NH+]2CCC(O)(C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC001194290938 773178607 /nfs/dbraw/zinc/17/86/07/773178607.db2.gz JLORMEBXLJZJBA-UHFFFAOYSA-N 1 1 323.349 0.806 20 5 DCBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@H](c3nn[nH]n3)C2)c1 ZINC001197297141 773727378 /nfs/dbraw/zinc/72/73/78/773727378.db2.gz NYKQPQQNQQWOSH-PWSUYJOCSA-N 1 1 304.310 0.631 20 5 DCBDMO NS(=O)(=O)C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC001198326381 773900534 /nfs/dbraw/zinc/90/05/34/773900534.db2.gz DTWGUVBQQWYCIS-VIFPVBQESA-N 1 1 317.342 0.844 20 5 DCBDMO NS(=O)(=O)C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC001198326381 773900537 /nfs/dbraw/zinc/90/05/37/773900537.db2.gz DTWGUVBQQWYCIS-VIFPVBQESA-N 1 1 317.342 0.844 20 5 DCBDMO CCc1noc(C)c1C[NH2+]CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001481229345 939654505 /nfs/dbraw/zinc/65/45/05/939654505.db2.gz NTVCHSRBIMEALC-ZWNOBZJWSA-N 1 1 310.354 0.759 20 5 DCBDMO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001268541803 940225602 /nfs/dbraw/zinc/22/56/02/940225602.db2.gz MQQQWIGCNZSRSW-XCUNLHGCSA-N 1 1 320.349 0.517 20 5 DCBDMO C[N@H+]1CCCC12CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)CC2 ZINC001446872090 1013050446 /nfs/dbraw/zinc/05/04/46/1013050446.db2.gz VOWNXXOFIWXMHT-UHFFFAOYSA-N 1 1 308.342 0.273 20 5 DCBDMO [NH3+][C@@H]1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1O ZINC001246558721 945432810 /nfs/dbraw/zinc/43/28/10/945432810.db2.gz MRHYDUACMHQQBM-HZPDHXFCSA-N 1 1 320.393 0.958 20 5 DCBDMO CN1CC[NH+](CCCCNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC001319596418 945629293 /nfs/dbraw/zinc/62/92/93/945629293.db2.gz KFAWJXOJSAPWMP-UHFFFAOYSA-N 1 1 310.358 0.075 20 5 DCBDMO C[NH+]1CCN(CCCCNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC001319596418 945629297 /nfs/dbraw/zinc/62/92/97/945629297.db2.gz KFAWJXOJSAPWMP-UHFFFAOYSA-N 1 1 310.358 0.075 20 5 DCBDMO O=C(NCC1([NH2+]CC2CCC2)CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001278707759 946100956 /nfs/dbraw/zinc/10/09/56/946100956.db2.gz TXCKMGNOAUKNTI-CHWSQXEVSA-N 1 1 311.382 0.707 20 5 DCBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC001323234811 946989496 /nfs/dbraw/zinc/98/94/96/946989496.db2.gz RZMDFBKJXMQKDK-UHFFFAOYSA-N 1 1 324.385 0.038 20 5 DCBDMO COCCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[NH+](C2CC2)CC1 ZINC001263261610 947826671 /nfs/dbraw/zinc/82/66/71/947826671.db2.gz IQHRSEVRKKKQCA-NSHDSACASA-N 1 1 324.385 0.547 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001333202528 951956921 /nfs/dbraw/zinc/95/69/21/951956921.db2.gz FPNVTJKAECVHGG-LBPRGKRZSA-N 1 1 307.354 0.796 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001334111427 952241611 /nfs/dbraw/zinc/24/16/11/952241611.db2.gz QJRLDPISKOIETQ-NEPJUHHUSA-N 1 1 307.354 0.843 20 5 DCBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001334938029 952416146 /nfs/dbraw/zinc/41/61/46/952416146.db2.gz XYEPREWLDZZVIJ-ZYHUDNBSSA-N 1 1 320.349 0.355 20 5 DCBDMO C[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)N1CCN(C)CC1 ZINC001335368681 952526446 /nfs/dbraw/zinc/52/64/46/952526446.db2.gz RRZULZFRBWZXNU-BBRMVZONSA-N 1 1 322.409 0.854 20 5 DCBDMO C[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCN1C ZINC001335397372 952531522 /nfs/dbraw/zinc/53/15/22/952531522.db2.gz GGDNJKPEGKCWTA-MAZHCROVSA-N 1 1 322.409 0.852 20 5 DCBDMO COCC[N@@H+]1[C@H](C)CN(c2nnc(C[N+](=O)[O-])n2C)C[C@@H]1C ZINC001338060212 952956938 /nfs/dbraw/zinc/95/69/38/952956938.db2.gz QRNAPBNJPCGGMB-PHIMTYICSA-N 1 1 312.374 0.137 20 5 DCBDMO CCn1c(C[N+](=O)[O-])nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001340868420 953200282 /nfs/dbraw/zinc/20/02/82/953200282.db2.gz XZRLOJNSQYMFFX-GFCCVEGCSA-N 1 1 324.385 0.233 20 5 DCBDMO CCn1c(CCC[N+](=O)[O-])nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001340886632 953201571 /nfs/dbraw/zinc/20/15/71/953201571.db2.gz WHQITDVNRTWEQJ-GFCCVEGCSA-N 1 1 324.385 0.028 20 5 DCBDMO CCn1c(CCC[N+](=O)[O-])nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001340886632 953201575 /nfs/dbraw/zinc/20/15/75/953201575.db2.gz WHQITDVNRTWEQJ-GFCCVEGCSA-N 1 1 324.385 0.028 20 5 DCBDMO COCCn1c(C[N+](=O)[O-])nnc1N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001341622944 953241484 /nfs/dbraw/zinc/24/14/84/953241484.db2.gz JEQRBTGUQKCREV-VXGBXAGGSA-N 1 1 324.385 0.232 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001347539228 954114202 /nfs/dbraw/zinc/11/42/02/954114202.db2.gz IRQPDHOSIDLTPY-FRRDWIJNSA-N 1 1 321.381 0.946 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCc3[nH]cnc3C2)c1 ZINC001348973505 954551528 /nfs/dbraw/zinc/55/15/28/954551528.db2.gz SCZVUJJTFIYHMF-MWLCHTKSSA-N 1 1 306.326 0.022 20 5 DCBDMO Cc1nn(C)c(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC001353285179 956005398 /nfs/dbraw/zinc/00/53/98/956005398.db2.gz KHAVWVMNYRTPNA-GARJFASQSA-N 1 1 307.354 0.707 20 5 DCBDMO C[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC001353316079 956015737 /nfs/dbraw/zinc/01/57/37/956015737.db2.gz MGUGECZBKXOADT-VBNZEHGJSA-N 1 1 322.409 0.852 20 5 DCBDMO C[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCN1C ZINC001353316079 956015745 /nfs/dbraw/zinc/01/57/45/956015745.db2.gz MGUGECZBKXOADT-VBNZEHGJSA-N 1 1 322.409 0.852 20 5 DCBDMO Cn1cc(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)c([N+](=O)[O-])n1 ZINC001308141719 960167380 /nfs/dbraw/zinc/16/73/80/960167380.db2.gz QOMOCSGZXMZEEZ-NSHDSACASA-N 1 1 303.326 0.805 20 5 DCBDMO Cn1cc(C[N@H+]2CC[C@H](Nc3ncccn3)C2)c([N+](=O)[O-])n1 ZINC001308141719 960167386 /nfs/dbraw/zinc/16/73/86/960167386.db2.gz QOMOCSGZXMZEEZ-NSHDSACASA-N 1 1 303.326 0.805 20 5 DCBDMO Nc1ncc(C(=O)NCC[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC001465005620 1015977645 /nfs/dbraw/zinc/97/76/45/1015977645.db2.gz DBJQOTSUWKEZCT-UHFFFAOYSA-N 1 1 311.367 0.351 20 5 DCBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+](CCO)CCCO)o1 ZINC001473168543 1016913594 /nfs/dbraw/zinc/91/35/94/1016913594.db2.gz PPTSWPVUDHNPAA-UHFFFAOYSA-N 1 1 322.321 0.822 20 5 DCBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+](CCO)CCCO)o1 ZINC001473168543 1016913606 /nfs/dbraw/zinc/91/36/06/1016913606.db2.gz PPTSWPVUDHNPAA-UHFFFAOYSA-N 1 1 322.321 0.822 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](O)CC23CCC3)c1 ZINC001473566992 1016949185 /nfs/dbraw/zinc/94/91/85/1016949185.db2.gz GXXADUFHMAOWAH-CHWSQXEVSA-N 1 1 310.354 0.532 20 5 DCBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@@H](CO)[C@H](CCO)C2)c1 ZINC001473892990 1016987102 /nfs/dbraw/zinc/98/71/02/1016987102.db2.gz MSVTYSVNFNKHDC-VNHYZAJKSA-N 1 1 310.350 0.551 20 5 DCBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001435967793 1006093157 /nfs/dbraw/zinc/09/31/57/1006093157.db2.gz LXCCKYNZXPXVNT-CYBMUJFWSA-N 1 1 314.430 0.964 20 5 DCBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+](C)CCO ZINC001455783451 1009967688 /nfs/dbraw/zinc/96/76/88/1009967688.db2.gz UJGFHSGQLDNMKG-UHFFFAOYSA-N 1 1 311.338 0.647 20 5 DCBDMO O=[N+]([O-])c1cccc2ncnc(N3CC([NH2+]C4COC4)C3)c21 ZINC001458642292 1012251331 /nfs/dbraw/zinc/25/13/31/1012251331.db2.gz RFBJWXAYHNWBCJ-UHFFFAOYSA-N 1 1 301.306 0.715 20 5 DCBDMO CN(CC[N@@H+](C)CCO)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC001557695457 1012288252 /nfs/dbraw/zinc/28/82/52/1012288252.db2.gz UFMJNDSSJSFKMG-UHFFFAOYSA-N 1 1 314.317 0.312 20 5 DCBDMO Cc1nc(N2CC[C@@H](C[NH+]3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC001559119224 1012408758 /nfs/dbraw/zinc/40/87/58/1012408758.db2.gz LFXBBKGLYOJUEO-LBPRGKRZSA-N 1 1 307.354 0.852 20 5 DCBDMO Cc1cc(S(=O)(=O)NCC[N@H+](C)CCO)ccc1[N+](=O)[O-] ZINC001561914564 1012479049 /nfs/dbraw/zinc/47/90/49/1012479049.db2.gz NFKHGXZJOHLMOG-UHFFFAOYSA-N 1 1 317.367 0.106 20 5 DCBDMO Cc1cc(S(=O)(=O)NCC[N@@H+](C)CCO)ccc1[N+](=O)[O-] ZINC001561914564 1012479053 /nfs/dbraw/zinc/47/90/53/1012479053.db2.gz NFKHGXZJOHLMOG-UHFFFAOYSA-N 1 1 317.367 0.106 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](OCCO)C1 ZINC000179215024 199000060 /nfs/dbraw/zinc/00/00/60/199000060.db2.gz CISKMQLAVQGWJN-ZDUSSCGKSA-N 1 1 311.338 0.230 20 5 DCBDMO CC(C)(CC[NH+]1CCOCC1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001646143323 1172271394 /nfs/dbraw/zinc/27/13/94/1172271394.db2.gz QAJFRVGYQICJLS-UHFFFAOYSA-N 1 1 311.342 0.549 20 5 DCBDMO CC(=O)NC[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159779818 291236537 /nfs/dbraw/zinc/23/65/37/291236537.db2.gz AJMNZEWNAXKGDK-CYBMUJFWSA-N 1 1 322.365 0.605 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000566688383 291319088 /nfs/dbraw/zinc/31/90/88/291319088.db2.gz YMQJVRRJMOXHPX-UHFFFAOYSA-N 1 1 304.310 0.619 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000264816776 204178946 /nfs/dbraw/zinc/17/89/46/204178946.db2.gz ZAEXKQCKSUMOII-CYBMUJFWSA-N 1 1 306.366 0.879 20 5 DCBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)nc1 ZINC000340694068 253292371 /nfs/dbraw/zinc/29/23/71/253292371.db2.gz AGEUUBOTLOTSLK-ZDUSSCGKSA-N 1 1 321.381 0.808 20 5 DCBDMO Cn1nc([N+](=O)[O-])cc1-c1nc([C@H]2C[N@H+]3CCC[C@H]3CO2)no1 ZINC000346801706 254096843 /nfs/dbraw/zinc/09/68/43/254096843.db2.gz YLJCGVKAPMXMLR-WCBMZHEXSA-N 1 1 320.309 0.914 20 5 DCBDMO COc1cc(CNCCOCC[NH+](C)C)c([N+](=O)[O-])cc1O ZINC000349216662 254278006 /nfs/dbraw/zinc/27/80/06/254278006.db2.gz KTLBUSHRQGQNRN-UHFFFAOYSA-N 1 1 313.354 0.977 20 5 DCBDMO C[C@@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1O ZINC000351944893 254383004 /nfs/dbraw/zinc/38/30/04/254383004.db2.gz NNMJSBGHCZMBFO-YGRLFVJLSA-N 1 1 305.334 0.797 20 5 DCBDMO C[C@@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1O ZINC000351944893 254383005 /nfs/dbraw/zinc/38/30/05/254383005.db2.gz NNMJSBGHCZMBFO-YGRLFVJLSA-N 1 1 305.334 0.797 20 5 DCBDMO NC(=O)[C@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000011173280 395686438 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C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154300074 396035895 /nfs/dbraw/zinc/03/58/95/396035895.db2.gz RMCBCHFNDRGBBU-RISCZKNCSA-N 1 1 324.381 0.824 20 5 DCBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H](O)C[NH+](C)C ZINC000154300074 396035896 /nfs/dbraw/zinc/03/58/96/396035896.db2.gz RMCBCHFNDRGBBU-RISCZKNCSA-N 1 1 324.381 0.824 20 5 DCBDMO C[C@@H]1CCSCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000279322883 396166164 /nfs/dbraw/zinc/16/61/64/396166164.db2.gz SMEUYUPFPFISEH-ZYHUDNBSSA-N 1 1 300.384 0.980 20 5 DCBDMO C[C@]1(O)CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000178022989 396187798 /nfs/dbraw/zinc/18/77/98/396187798.db2.gz YBQNBZZGYKKJBZ-HNNXBMFYSA-N 1 1 305.334 0.941 20 5 DCBDMO C[C@]1(O)CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000178022989 396187801 /nfs/dbraw/zinc/18/78/01/396187801.db2.gz YBQNBZZGYKKJBZ-HNNXBMFYSA-N 1 1 305.334 0.941 20 5 DCBDMO O=C(C[N@H+]1CCC[C@@H]1CO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000263774307 396229896 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NEVMWVQBUHHXEX-AWEZNQCLSA-N 1 1 304.350 0.601 20 5 DCBDMO COc1cc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000600536736 396887025 /nfs/dbraw/zinc/88/70/25/396887025.db2.gz WIKICUAECXJZJG-LLVKDONJSA-N 1 1 309.322 0.400 20 5 DCBDMO COCC[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000571538138 396962842 /nfs/dbraw/zinc/96/28/42/396962842.db2.gz PKPVUULAJREDGL-JTQLQIEISA-N 1 1 319.745 0.349 20 5 DCBDMO CC(C)(C)n1ncnc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591766279 397000414 /nfs/dbraw/zinc/00/04/14/397000414.db2.gz ROKDHQZAZLSPNJ-NSHDSACASA-N 1 1 323.357 0.289 20 5 DCBDMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000597679495 397059220 /nfs/dbraw/zinc/05/92/20/397059220.db2.gz YQNHDJBIXABLOL-JTQLQIEISA-N 1 1 323.353 0.643 20 5 DCBDMO [NH3+]C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000573000110 397123273 /nfs/dbraw/zinc/12/32/73/397123273.db2.gz NROMUKVDTIIJIB-SNVBAGLBSA-N 1 1 319.321 0.661 20 5 DCBDMO C[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](CO)C1 ZINC000602906896 397520707 /nfs/dbraw/zinc/52/07/07/397520707.db2.gz UGSPTIYBPBPTAJ-NSHDSACASA-N 1 1 305.338 0.579 20 5 DCBDMO C[N@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](CO)C1 ZINC000602906896 397520714 /nfs/dbraw/zinc/52/07/14/397520714.db2.gz UGSPTIYBPBPTAJ-NSHDSACASA-N 1 1 305.338 0.579 20 5 DCBDMO C[C@@H]1COCCN1C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000579850245 397595585 /nfs/dbraw/zinc/59/55/85/397595585.db2.gz RPWNWRHKNVOVBE-CYBMUJFWSA-N 1 1 323.397 0.976 20 5 DCBDMO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)N1CCOCC1 ZINC000065223184 158032425 /nfs/dbraw/zinc/03/24/25/158032425.db2.gz FVJMRFQJBBBUSQ-UHFFFAOYSA-N 1 1 323.349 0.764 20 5 DCBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)N1CCOCC1 ZINC000065223184 158032430 /nfs/dbraw/zinc/03/24/30/158032430.db2.gz FVJMRFQJBBBUSQ-UHFFFAOYSA-N 1 1 323.349 0.764 20 5 DCBDMO NC(=O)CC1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000077168540 158067317 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DCBDMO CCOC(=O)C[C@@H](C)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000248438947 287096818 /nfs/dbraw/zinc/09/68/18/287096818.db2.gz CEHMNFUVSGWBCT-ZYHUDNBSSA-N 1 1 314.342 0.426 20 5 DCBDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000332164721 415274394 /nfs/dbraw/zinc/27/43/94/415274394.db2.gz WPCJYGVEHOGCHY-NFAWXSAZSA-N 1 1 323.397 0.711 20 5 DCBDMO C[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000332164721 415274397 /nfs/dbraw/zinc/27/43/97/415274397.db2.gz WPCJYGVEHOGCHY-NFAWXSAZSA-N 1 1 323.397 0.711 20 5 DCBDMO C[C@@H]1CN2CCCC[C@@H]2C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000332164721 415274403 /nfs/dbraw/zinc/27/44/03/415274403.db2.gz WPCJYGVEHOGCHY-NFAWXSAZSA-N 1 1 323.397 0.711 20 5 DCBDMO CCn1cc(S(=O)(=O)NCC[NH+]2CCCC2)c([N+](=O)[O-])n1 ZINC000353057217 415422504 /nfs/dbraw/zinc/42/25/04/415422504.db2.gz VNCOBYWRMPLCPU-UHFFFAOYSA-N 1 1 317.371 0.185 20 5 DCBDMO COc1cc(C[N@H+](CCO)C[C@H](C)O)c([N+](=O)[O-])cc1F ZINC000289910025 415735194 /nfs/dbraw/zinc/73/51/94/415735194.db2.gz SXUKDADOZXMGKV-VIFPVBQESA-N 1 1 302.302 0.918 20 5 DCBDMO COc1cc(C[N@@H+](CCO)C[C@H](C)O)c([N+](=O)[O-])cc1F ZINC000289910025 415735200 /nfs/dbraw/zinc/73/52/00/415735200.db2.gz SXUKDADOZXMGKV-VIFPVBQESA-N 1 1 302.302 0.918 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000120752300 415781903 /nfs/dbraw/zinc/78/19/03/415781903.db2.gz QFTLVHCJHFJSPI-JQWIXIFHSA-N 1 1 309.370 0.898 20 5 DCBDMO COCC[N@@H+](C)CCCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290440450 415806592 /nfs/dbraw/zinc/80/65/92/415806592.db2.gz BWVAFNUXLNXGKF-UHFFFAOYSA-N 1 1 311.342 0.469 20 5 DCBDMO C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+](C2CC2)C1 ZINC000295423982 415891688 /nfs/dbraw/zinc/89/16/88/415891688.db2.gz UDZKGHBGBCELBI-NSHDSACASA-N 1 1 307.354 0.734 20 5 DCBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCOCCO ZINC000337494719 415968586 /nfs/dbraw/zinc/96/85/86/415968586.db2.gz QMKPWKAESWOXSD-LLVKDONJSA-N 1 1 311.338 0.863 20 5 DCBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCOCCO ZINC000337494719 415968589 /nfs/dbraw/zinc/96/85/89/415968589.db2.gz QMKPWKAESWOXSD-LLVKDONJSA-N 1 1 311.338 0.863 20 5 DCBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000356727041 415977960 /nfs/dbraw/zinc/97/79/60/415977960.db2.gz BXPJPMWQVSZKMX-GHMZBOCLSA-N 1 1 307.354 0.885 20 5 DCBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC[C@@H]21 ZINC000153968415 415989398 /nfs/dbraw/zinc/98/93/98/415989398.db2.gz GYWZUBYUBZCJPE-NEPJUHHUSA-N 1 1 307.354 0.734 20 5 DCBDMO C[N@@H+]1CCO[C@H](CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000357322782 416063481 /nfs/dbraw/zinc/06/34/81/416063481.db2.gz IPOHLLOIMICCDF-SNVBAGLBSA-N 1 1 303.322 1.281 20 5 DCBDMO C[N@H+]1CCO[C@H](CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000357322782 416063483 /nfs/dbraw/zinc/06/34/83/416063483.db2.gz IPOHLLOIMICCDF-SNVBAGLBSA-N 1 1 303.322 1.281 20 5 DCBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H](O)C1 ZINC000337977648 416029675 /nfs/dbraw/zinc/02/96/75/416029675.db2.gz IKIJBNYVDUOJNZ-LLVKDONJSA-N 1 1 307.306 0.959 20 5 DCBDMO CNC(=O)CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000170792149 416032930 /nfs/dbraw/zinc/03/29/30/416032930.db2.gz QUWZHBBLNUCHJM-JTQLQIEISA-N 1 1 308.338 0.990 20 5 DCBDMO CNC(=O)CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000170792149 416032932 /nfs/dbraw/zinc/03/29/32/416032932.db2.gz QUWZHBBLNUCHJM-JTQLQIEISA-N 1 1 308.338 0.990 20 5 DCBDMO CCOC(=O)c1ccnc(NC[C@]2(O)CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000358360215 416229545 /nfs/dbraw/zinc/22/95/45/416229545.db2.gz VQYSAOJPHVPCNV-CQSZACIVSA-N 1 1 324.337 0.645 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000358706561 416271184 /nfs/dbraw/zinc/27/11/84/416271184.db2.gz NHKXQPAVLWSTGO-HNNXBMFYSA-N 1 1 322.365 0.503 20 5 DCBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000594292538 416558586 /nfs/dbraw/zinc/55/85/86/416558586.db2.gz RBXXONQIMSKHEK-JTQLQIEISA-N 1 1 323.353 0.413 20 5 DCBDMO C[N@@H+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1(C)C ZINC000584101337 416499035 /nfs/dbraw/zinc/49/90/35/416499035.db2.gz HNSMPOOEYTXDGZ-UHFFFAOYSA-N 1 1 308.338 0.309 20 5 DCBDMO C[N@H+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1(C)C ZINC000584101337 416499039 /nfs/dbraw/zinc/49/90/39/416499039.db2.gz HNSMPOOEYTXDGZ-UHFFFAOYSA-N 1 1 308.338 0.309 20 5 DCBDMO O=C(NC[C@@H]1C[NH2+]CCO1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423997243 416602902 /nfs/dbraw/zinc/60/29/02/416602902.db2.gz XYVFQTOARHPIBG-VIFPVBQESA-N 1 1 305.294 0.189 20 5 DCBDMO O=c1[nH]c(NCC[N@@H+]2CC[C@H](O)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000599199678 416610059 /nfs/dbraw/zinc/61/00/59/416610059.db2.gz PUIAQCBKTGQBJJ-JTQLQIEISA-N 1 1 319.321 0.722 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000368664789 416681775 /nfs/dbraw/zinc/68/17/75/416681775.db2.gz YNPWSUIRVXYCFW-QWRGUYRKSA-N 1 1 309.322 0.859 20 5 DCBDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000367578967 416647584 /nfs/dbraw/zinc/64/75/84/416647584.db2.gz XKYMFNTXRYSEDF-QWHCGFSZSA-N 1 1 309.370 0.586 20 5 DCBDMO CN1CC[N@H+](C)C[C@H]1c1noc(-c2ccc([N+](=O)[O-])cn2)n1 ZINC000545087711 416663143 /nfs/dbraw/zinc/66/31/43/416663143.db2.gz YYZVFFHHONWFGC-NSHDSACASA-N 1 1 304.310 0.958 20 5 DCBDMO CN1CC[N@@H+](C)C[C@H]1c1noc(-c2ccc([N+](=O)[O-])cn2)n1 ZINC000545087711 416663147 /nfs/dbraw/zinc/66/31/47/416663147.db2.gz YYZVFFHHONWFGC-NSHDSACASA-N 1 1 304.310 0.958 20 5 DCBDMO CCC[N@H+](CC(N)=O)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000429129160 416946671 /nfs/dbraw/zinc/94/66/71/416946671.db2.gz QZEPPBMHLRNGCH-LBPRGKRZSA-N 1 1 311.338 0.532 20 5 DCBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CCN1CCOC(C)(C)C1 ZINC000434708180 287356349 /nfs/dbraw/zinc/35/63/49/287356349.db2.gz QWEOWCXPNCEUHJ-UHFFFAOYSA-N 1 1 311.386 0.834 20 5 DCBDMO CNc1nccc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000574289434 417482250 /nfs/dbraw/zinc/48/22/50/417482250.db2.gz DGVHOKVODJGYAY-SNVBAGLBSA-N 1 1 307.354 1.103 20 5 DCBDMO CNc1nc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000455523381 417607564 /nfs/dbraw/zinc/60/75/64/417607564.db2.gz ZOZWWPZKLPWBHW-JTQLQIEISA-N 1 1 305.338 0.952 20 5 DCBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531882804 417647170 /nfs/dbraw/zinc/64/71/70/417647170.db2.gz KFXWQRMKHNMPAB-LBPRGKRZSA-N 1 1 321.337 0.059 20 5 DCBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000532021085 417652599 /nfs/dbraw/zinc/65/25/99/417652599.db2.gz XSLIFSZMXCUZRS-LBPRGKRZSA-N 1 1 324.385 0.821 20 5 DCBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000299483315 229144935 /nfs/dbraw/zinc/14/49/35/229144935.db2.gz GFZDAPCBICUGMW-QWHCGFSZSA-N 1 1 320.349 0.500 20 5 DCBDMO C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000299637303 229288184 /nfs/dbraw/zinc/28/81/84/229288184.db2.gz MAVFXYCQHYECEL-GFCCVEGCSA-N 1 1 306.366 0.847 20 5 DCBDMO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CC[NH+](CCO)CC1 ZINC000229860020 261154236 /nfs/dbraw/zinc/15/42/36/261154236.db2.gz TZUIOAXIJVEJSA-PLNGDYQASA-N 1 1 305.334 0.745 20 5 DCBDMO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000355585392 261350159 /nfs/dbraw/zinc/35/01/59/261350159.db2.gz PEKGJAXJWUZGQF-NSHDSACASA-N 1 1 310.306 0.713 20 5 DCBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000355585392 261350161 /nfs/dbraw/zinc/35/01/61/261350161.db2.gz PEKGJAXJWUZGQF-NSHDSACASA-N 1 1 310.306 0.713 20 5 DCBDMO COCC[N@@H+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000439160674 271635287 /nfs/dbraw/zinc/63/52/87/271635287.db2.gz MKIOPPZPNCIDDJ-NSHDSACASA-N 1 1 322.365 0.851 20 5 DCBDMO COCC[N@H+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000439160674 271635290 /nfs/dbraw/zinc/63/52/90/271635290.db2.gz MKIOPPZPNCIDDJ-NSHDSACASA-N 1 1 322.365 0.851 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000492557117 272135091 /nfs/dbraw/zinc/13/50/91/272135091.db2.gz BLGQTJSSNOHROD-QTLSWZBMSA-N 1 1 323.324 0.930 20 5 DCBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000151604348 277075804 /nfs/dbraw/zinc/07/58/04/277075804.db2.gz QUBMIYIUVLVVDU-ZDUSSCGKSA-N 1 1 319.365 0.733 20 5 DCBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[N@H+]1CC(C)(C)O ZINC000548059867 288107471 /nfs/dbraw/zinc/10/74/71/288107471.db2.gz MQJXXOIZBYUJDD-NSHDSACASA-N 1 1 324.381 0.851 20 5 DCBDMO CCS(=O)(=O)CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365822484 521639652 /nfs/dbraw/zinc/63/96/52/521639652.db2.gz SSKFJESINXXRRI-UHFFFAOYSA-N 1 1 316.383 0.863 20 5 DCBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000330796391 527832785 /nfs/dbraw/zinc/83/27/85/527832785.db2.gz FVBNJTUVWNSYAZ-SNVBAGLBSA-N 1 1 307.354 0.986 20 5 DCBDMO C[N@@H+](CCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)C1CC1 ZINC000736800641 598499451 /nfs/dbraw/zinc/49/94/51/598499451.db2.gz LARVUBJIYSPSKW-UHFFFAOYSA-N 1 1 304.314 0.676 20 5 DCBDMO CC[N@H+]1CCCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821268468 606709763 /nfs/dbraw/zinc/70/97/63/606709763.db2.gz XZDMPRDDKFDVPN-UHFFFAOYSA-N 1 1 318.341 0.702 20 5 DCBDMO Cn1nccc1CC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000981137384 661084961 /nfs/dbraw/zinc/08/49/61/661084961.db2.gz RUDGWESPOWLLLK-ZIAGYGMSSA-N 1 1 321.381 0.162 20 5 DCBDMO Cn1nccc1CC[N@@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000981137384 661084963 /nfs/dbraw/zinc/08/49/63/661084963.db2.gz RUDGWESPOWLLLK-ZIAGYGMSSA-N 1 1 321.381 0.162 20 5 DCBDMO Cn1nccc1CC[N@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000981137384 661084966 /nfs/dbraw/zinc/08/49/66/661084966.db2.gz RUDGWESPOWLLLK-ZIAGYGMSSA-N 1 1 321.381 0.162 20 5 DCBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1ncn[nH]1 ZINC001020782558 658461879 /nfs/dbraw/zinc/46/18/79/658461879.db2.gz UWKBIMOWIPVRQW-KYZUINATSA-N 1 1 322.350 0.825 20 5 DCBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1nc[nH]n1 ZINC001020782558 658461884 /nfs/dbraw/zinc/46/18/84/658461884.db2.gz UWKBIMOWIPVRQW-KYZUINATSA-N 1 1 322.350 0.825 20 5 DCBDMO CCn1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001022063678 658813955 /nfs/dbraw/zinc/81/39/55/658813955.db2.gz GOAGPGZXXQVSJB-YVECIDJPSA-N 1 1 307.354 0.305 20 5 DCBDMO COc1ncccc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001022063513 658819829 /nfs/dbraw/zinc/81/98/29/658819829.db2.gz COLDNVFDFNWDCN-YVECIDJPSA-N 1 1 320.349 0.492 20 5 DCBDMO Cc1ccncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001022063538 658820162 /nfs/dbraw/zinc/82/01/62/658820162.db2.gz DCOVRJTYCJOLFY-XJFOESAGSA-N 1 1 304.350 0.792 20 5 DCBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(C)CC[N@H+](C)CC2)n1 ZINC000888985189 658900382 /nfs/dbraw/zinc/90/03/82/658900382.db2.gz OGNFDCCINVKMAW-UHFFFAOYSA-N 1 1 324.385 0.131 20 5 DCBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(C)CC[N@@H+](C)CC2)n1 ZINC000888985189 658900384 /nfs/dbraw/zinc/90/03/84/658900384.db2.gz OGNFDCCINVKMAW-UHFFFAOYSA-N 1 1 324.385 0.131 20 5 DCBDMO C[N@@H+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@@H]1CO ZINC000894884707 662026667 /nfs/dbraw/zinc/02/66/67/662026667.db2.gz JEFLRLMIMKVCKN-SNVBAGLBSA-N 1 1 303.322 0.651 20 5 DCBDMO C[N@H+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@@H]1CO ZINC000894884707 662026668 /nfs/dbraw/zinc/02/66/68/662026668.db2.gz JEFLRLMIMKVCKN-SNVBAGLBSA-N 1 1 303.322 0.651 20 5 DCBDMO Cc1ccnc(N(C)CC(=O)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000894958800 662037056 /nfs/dbraw/zinc/03/70/56/662037056.db2.gz RXYNVGHCCZPPDX-UHFFFAOYSA-N 1 1 307.354 0.508 20 5 DCBDMO C[N@H+]1CC[C@@H]1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000928568461 662132415 /nfs/dbraw/zinc/13/24/15/662132415.db2.gz GJWYMYYLFSNSKG-GFCCVEGCSA-N 1 1 303.322 0.765 20 5 DCBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)[C@@H]1C[N@@H+](C)CCN1C ZINC000900808256 663282947 /nfs/dbraw/zinc/28/29/47/663282947.db2.gz WGVCZFCBAPMTFL-MFKMUULPSA-N 1 1 309.370 0.297 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(C2C[NH+](CC3CCC3)C2)CC1 ZINC000941407460 665991542 /nfs/dbraw/zinc/99/15/42/665991542.db2.gz RSBPTRFURDTCIZ-HUUCEWRRSA-N 1 1 322.409 0.280 20 5 DCBDMO Cc1ncoc1C[NH+]1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001001400060 666042070 /nfs/dbraw/zinc/04/20/70/666042070.db2.gz PZPCVICTIKDFDS-CHWSQXEVSA-N 1 1 322.365 0.976 20 5 DCBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000863321425 667129155 /nfs/dbraw/zinc/12/91/55/667129155.db2.gz UPKFAKMSBVVQSE-MRVPVSSYSA-N 1 1 312.301 0.113 20 5 DCBDMO COCC[N@H+]1[C@H](C)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H]1C ZINC000120537933 667323959 /nfs/dbraw/zinc/32/39/59/667323959.db2.gz HZHYCDWQWPVOSF-AOOOYVTPSA-N 1 1 311.342 0.499 20 5 DCBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H]1C ZINC000120537933 667323961 /nfs/dbraw/zinc/32/39/61/667323961.db2.gz HZHYCDWQWPVOSF-AOOOYVTPSA-N 1 1 311.342 0.499 20 5 DCBDMO CN1CC[N@@H+](C)C[C@H]1CNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865535058 667330599 /nfs/dbraw/zinc/33/05/99/667330599.db2.gz OGQTWNQKMVFMRO-LLVKDONJSA-N 1 1 312.345 0.884 20 5 DCBDMO Cn1c(C(=O)O[C@H]2C[C@@H]([NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000838909412 667717110 /nfs/dbraw/zinc/71/71/10/667717110.db2.gz GNWWUIAQKBXIQB-PHIMTYICSA-N 1 1 309.322 0.953 20 5 DCBDMO NC(=O)c1ccc(C[NH2+]C2(C(N)=O)CCCC2)c([N+](=O)[O-])c1 ZINC000746472185 667879008 /nfs/dbraw/zinc/87/90/08/667879008.db2.gz GISDEDMTSHJUEA-UHFFFAOYSA-N 1 1 306.322 0.581 20 5 DCBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)n1 ZINC000887928060 667932290 /nfs/dbraw/zinc/93/22/90/667932290.db2.gz UJROTKAFOVLACE-IINYFYTJSA-N 1 1 307.354 0.835 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000887938875 667933078 /nfs/dbraw/zinc/93/30/78/667933078.db2.gz DGCLNHWHCYGQIR-RISCZKNCSA-N 1 1 307.354 0.510 20 5 DCBDMO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588849 668878671 /nfs/dbraw/zinc/87/86/71/668878671.db2.gz CQPZWHMTUKGUJN-HZSPNIEDSA-N 1 1 305.334 0.981 20 5 DCBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H](O)C1(O)CCOCC1)C2 ZINC000930099486 668957229 /nfs/dbraw/zinc/95/72/29/668957229.db2.gz LQDIJTLXCBLQHV-OAHLLOKOSA-N 1 1 322.361 0.855 20 5 DCBDMO CN1C(=O)[C@H]2C[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@H]2C1=O ZINC000879532331 669056349 /nfs/dbraw/zinc/05/63/49/669056349.db2.gz UQEMETCAAORVAS-DTORHVGOSA-N 1 1 307.281 0.781 20 5 DCBDMO CN1C(=O)[C@H]2C[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@H]2C1=O ZINC000879532331 669056354 /nfs/dbraw/zinc/05/63/54/669056354.db2.gz UQEMETCAAORVAS-DTORHVGOSA-N 1 1 307.281 0.781 20 5 DCBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c1 ZINC000782615830 669111817 /nfs/dbraw/zinc/11/18/17/669111817.db2.gz GXMFFORZOHIDIK-NJZAAPMLSA-N 1 1 308.334 0.649 20 5 DCBDMO C[C@@H]([NH2+]C[C@@H](O)CN1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000932179421 669328944 /nfs/dbraw/zinc/32/89/44/669328944.db2.gz GUPVQQQXPKCSTN-CZUORRHYSA-N 1 1 322.409 0.854 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934277114 669590746 /nfs/dbraw/zinc/59/07/46/669590746.db2.gz YQILRAAWGNWPRJ-KBPBESRZSA-N 1 1 323.397 0.631 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2CCO ZINC000934277114 669590757 /nfs/dbraw/zinc/59/07/57/669590757.db2.gz YQILRAAWGNWPRJ-KBPBESRZSA-N 1 1 323.397 0.631 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H]2[C@@H]1CCCN2CCO ZINC000934277114 669590759 /nfs/dbraw/zinc/59/07/59/669590759.db2.gz YQILRAAWGNWPRJ-KBPBESRZSA-N 1 1 323.397 0.631 20 5 DCBDMO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC(C)(C)OC1=O ZINC000795661820 669906577 /nfs/dbraw/zinc/90/65/77/669906577.db2.gz PLVYEPKKZTZWCV-WDEREUQCSA-N 1 1 312.326 0.178 20 5 DCBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC(C)(C)OC1=O ZINC000795661820 669906578 /nfs/dbraw/zinc/90/65/78/669906578.db2.gz PLVYEPKKZTZWCV-WDEREUQCSA-N 1 1 312.326 0.178 20 5 DCBDMO CON(C)C(=O)CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000799139779 670043908 /nfs/dbraw/zinc/04/39/08/670043908.db2.gz WCRLOHCSOZZNCQ-NSHDSACASA-N 1 1 323.353 0.886 20 5 DCBDMO Nc1cc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc(CO)c1[N+](=O)[O-] ZINC000804397298 670292873 /nfs/dbraw/zinc/29/28/73/670292873.db2.gz WTMZNFWPVVNSIN-QWHCGFSZSA-N 1 1 322.365 0.944 20 5 DCBDMO CN1CC[N@H+](C)C[C@@H]1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819048742 671089069 /nfs/dbraw/zinc/08/90/69/671089069.db2.gz ASZYIANIKOJNMZ-LSDHHAIUSA-N 1 1 308.382 0.464 20 5 DCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819048742 671089072 /nfs/dbraw/zinc/08/90/72/671089072.db2.gz ASZYIANIKOJNMZ-LSDHHAIUSA-N 1 1 308.382 0.464 20 5 DCBDMO COC(=O)[C@@]1(OC)CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000859556932 671126260 /nfs/dbraw/zinc/12/62/60/671126260.db2.gz FODLTOWZEXPOGU-UKRRQHHQSA-N 1 1 324.333 0.892 20 5 DCBDMO C[C@]1(CO)C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000859823378 671148747 /nfs/dbraw/zinc/14/87/47/671148747.db2.gz CPYALYMFJBRDBI-OAGGEKHMSA-N 1 1 324.377 0.941 20 5 DCBDMO O=C1OC[C@H]2C[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000860156032 671184185 /nfs/dbraw/zinc/18/41/85/671184185.db2.gz CRNPGHPITOIBOD-SCDSUCTJSA-N 1 1 322.317 0.439 20 5 DCBDMO C[C@H]1C[N@@H+](CCO)CCN1c1ccc([N+](=O)[O-])c2nonc21 ZINC000829577998 671580228 /nfs/dbraw/zinc/58/02/28/671580228.db2.gz UDPKZZKTRIQAAK-VIFPVBQESA-N 1 1 307.310 0.634 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000836847678 671834572 /nfs/dbraw/zinc/83/45/72/671834572.db2.gz AFSOZXYOHIVKOM-KWCYVHTRSA-N 1 1 305.334 0.791 20 5 DCBDMO [NH3+]Cc1noc(-c2cc([N+](=O)[O-])ccc2N2CCOCC2)n1 ZINC000842650952 672025575 /nfs/dbraw/zinc/02/55/75/672025575.db2.gz ODGIRTAFZOYZRV-UHFFFAOYSA-N 1 1 305.294 0.940 20 5 DCBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cnn[nH]1 ZINC001020341626 693774964 /nfs/dbraw/zinc/77/49/64/693774964.db2.gz YKJJGEGYHXEZMA-XYPYZODXSA-N 1 1 316.321 0.764 20 5 DCBDMO Nc1ncc(C(=O)N2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC001627841134 1158752258 /nfs/dbraw/zinc/75/22/58/1158752258.db2.gz IGEBNBJHCSIFQV-UHFFFAOYSA-N 1 1 305.338 0.882 20 5 DCBDMO C[N@H+](CCNC(=O)c1cnon1)Cc1cccc([N+](=O)[O-])c1 ZINC001567310064 1160304473 /nfs/dbraw/zinc/30/44/73/1160304473.db2.gz CHGUCGWUKRMUMX-UHFFFAOYSA-N 1 1 305.294 0.840 20 5 DCBDMO C[N@@H+](CCNC(=O)c1cnon1)Cc1cccc([N+](=O)[O-])c1 ZINC001567310064 1160304479 /nfs/dbraw/zinc/30/44/79/1160304479.db2.gz CHGUCGWUKRMUMX-UHFFFAOYSA-N 1 1 305.294 0.840 20 5 DCBDMO C[N@H+](CCNC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC001578473921 1165029275 /nfs/dbraw/zinc/02/92/75/1165029275.db2.gz UPZNHGKSFQLSNJ-OAHLLOKOSA-N 1 1 306.366 0.979 20 5 DCBDMO C[N@@H+](CCNC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC001578473921 1165029281 /nfs/dbraw/zinc/02/92/81/1165029281.db2.gz UPZNHGKSFQLSNJ-OAHLLOKOSA-N 1 1 306.366 0.979 20 5 DCBDMO C[C@H]1C[C@H](C)C[NH+](CCn2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)C1 ZINC001590189540 1166803177 /nfs/dbraw/zinc/80/31/77/1166803177.db2.gz WKNGFVUCYGDJSE-UWVGGRQHSA-N 1 1 320.357 0.949 20 5 DCBDMO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1CCC[C@H](O)C1 ZINC001593483049 1167865745 /nfs/dbraw/zinc/86/57/45/1167865745.db2.gz SKAGSZHLWDSKKP-VIFPVBQESA-N 1 1 304.310 0.732 20 5 DCBDMO C[C@@H]1C[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C[C@H]1O ZINC001609174215 1170845789 /nfs/dbraw/zinc/84/57/89/1170845789.db2.gz SLAKUMBLTLPOKN-PRHODGIISA-N 1 1 304.310 0.588 20 5 DCBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001612902749 1171364141 /nfs/dbraw/zinc/36/41/41/1171364141.db2.gz BTWXODDNHYSIKV-VHSXEESVSA-N 1 1 305.338 0.762 20 5 DCBDMO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC001634550401 1171678067 /nfs/dbraw/zinc/67/80/67/1171678067.db2.gz LRFDMXGHDTYCAO-LBPRGKRZSA-N 1 1 317.305 0.810 20 5 DCBDMO NC(=O)c1cc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC001643145287 1171965762 /nfs/dbraw/zinc/96/57/62/1171965762.db2.gz JSBHYRXGBLXKRG-NWDGAFQWSA-N 1 1 320.349 0.339 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](C(=O)N(C)C)C1 ZINC001644666487 1172012200 /nfs/dbraw/zinc/01/22/00/1172012200.db2.gz ZDQHVWIFWYKDHB-GFCCVEGCSA-N 1 1 309.370 0.900 20 5 DCBDMO CCCc1[nH]nc(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001647773441 1173055245 /nfs/dbraw/zinc/05/52/45/1173055245.db2.gz UIEAXJLCZVZSRL-SECBINFHSA-N 1 1 323.353 0.473 20 5 DCBDMO O=[N+]([O-])c1cnc2ccccc2c1NC[C@@]1(CO)COCC[NH2+]1 ZINC001652188532 1173765206 /nfs/dbraw/zinc/76/52/06/1173765206.db2.gz GLEMVKWCEPBXHF-OAHLLOKOSA-N 1 1 318.333 0.328 20 5 DCBDMO O=C(COc1ccccc1[N+](=O)[O-])N1CC([NH2+]C2COC2)C1 ZINC001652945916 1173779616 /nfs/dbraw/zinc/77/96/16/1173779616.db2.gz HFAFJEASYOMYCD-UHFFFAOYSA-N 1 1 307.306 0.173 20 5 DCBDMO C[C@@](Cn1cccn1)([NH2+]Cc1cccc([N+](=O)[O-])c1)C(N)=O ZINC001655050989 1173814848 /nfs/dbraw/zinc/81/48/48/1173814848.db2.gz FODWFRGVCQAPLS-AWEZNQCLSA-N 1 1 303.322 0.825 20 5 DCBDMO CCc1onc(C)c1C[NH2+]CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001663924141 1174371856 /nfs/dbraw/zinc/37/18/56/1174371856.db2.gz PGIAWJVDRQCAMK-ZYHUDNBSSA-N 1 1 310.354 0.759 20 5 DCBDMO O=C(NCC1([NH2+]Cc2cccnc2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001673163733 1175176642 /nfs/dbraw/zinc/17/66/42/1175176642.db2.gz CLSYNDNQVCRHCQ-CHWSQXEVSA-N 1 1 304.350 0.875 20 5 DCBDMO CCOCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001690205284 1177192856 /nfs/dbraw/zinc/19/28/56/1177192856.db2.gz HTOCBTXULGZQIO-XJFOESAGSA-N 1 1 311.382 0.753 20 5 DCBDMO CCOCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001690205284 1177192860 /nfs/dbraw/zinc/19/28/60/1177192860.db2.gz HTOCBTXULGZQIO-XJFOESAGSA-N 1 1 311.382 0.753 20 5 DCBDMO CCOCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001690205284 1177192867 /nfs/dbraw/zinc/19/28/67/1177192867.db2.gz HTOCBTXULGZQIO-XJFOESAGSA-N 1 1 311.382 0.753 20 5 DCBDMO CN(CC[NH2+]CC(=O)Nc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001714702710 1181490715 /nfs/dbraw/zinc/49/07/15/1181490715.db2.gz CJWCCQYYIKBJKQ-CHWSQXEVSA-N 1 1 320.349 0.338 20 5 DCBDMO Cc1ncc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001732850410 1186012562 /nfs/dbraw/zinc/01/25/62/1186012562.db2.gz IAKYXTQAQFZYOJ-XCUNLHGCSA-N 1 1 305.338 0.212 20 5 DCBDMO COc1ncc(C[NH2+]CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c(C)n1 ZINC001753188325 1188527876 /nfs/dbraw/zinc/52/78/76/1188527876.db2.gz QIVPBUMIJSBFPQ-VXGBXAGGSA-N 1 1 323.353 0.007 20 5 DCBDMO O=C(NCC1([NH2+]Cc2cncc(F)c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001754513763 1188872639 /nfs/dbraw/zinc/87/26/39/1188872639.db2.gz HMYPRGJBNNOEQA-VXGBXAGGSA-N 1 1 308.313 0.624 20 5 DCBDMO CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001754736708 1188913704 /nfs/dbraw/zinc/91/37/04/1188913704.db2.gz XSOBPHWWHMQQJG-CHWSQXEVSA-N 1 1 311.382 0.873 20 5 DCBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC001164671290 719378424 /nfs/dbraw/zinc/37/84/24/719378424.db2.gz VXOKXAYBLHTFGX-IUCAKERBSA-N 1 1 313.745 0.866 20 5 DCBDMO COc1nc(C)c([N+](=O)[O-])c(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC001164665046 719393885 /nfs/dbraw/zinc/39/38/85/719393885.db2.gz FKLBZXZUSYWPEQ-VHSXEESVSA-N 1 1 309.326 0.221 20 5 DCBDMO NC(=O)c1nc(NCC[NH+]2CCSCC2)ccc1[N+](=O)[O-] ZINC001167832789 748394605 /nfs/dbraw/zinc/39/46/05/748394605.db2.gz NAEVYBKMYFHXEF-UHFFFAOYSA-N 1 1 311.367 0.549 20 5 DCBDMO O=C(NCC[NH2+]Cc1ccc2c(c1)COC2)[C@@H]1CC1[N+](=O)[O-] ZINC001126932408 750143646 /nfs/dbraw/zinc/14/36/46/750143646.db2.gz WGEBGAQIYQOUFR-ZIAGYGMSSA-N 1 1 305.334 0.588 20 5 DCBDMO COCc1ccc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001126936653 750149424 /nfs/dbraw/zinc/14/94/24/750149424.db2.gz OZTHYEVMYJLECW-ZIAGYGMSSA-N 1 1 307.350 0.704 20 5 DCBDMO O=C(NCCNCc1nnc(C(F)F)s1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936798 750149472 /nfs/dbraw/zinc/14/94/72/750149472.db2.gz RPCDRILVIZQTKQ-PHDIDXHHSA-N 1 1 321.309 0.347 20 5 DCBDMO CC(C)N(C(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC001126936892 750149847 /nfs/dbraw/zinc/14/98/47/750149847.db2.gz WNJGBLWMLYRBEU-VXGBXAGGSA-N 1 1 314.386 0.003 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1ccns1 ZINC001128503895 753922614 /nfs/dbraw/zinc/92/26/14/753922614.db2.gz YXBSYJAXADTBDF-UHFFFAOYSA-N 1 1 310.339 0.304 20 5 DCBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001133923231 765233478 /nfs/dbraw/zinc/23/34/78/765233478.db2.gz DJCJCUCRYMXHIV-NSHDSACASA-N 1 1 316.321 0.609 20 5 DCBDMO C[N@H+]1CC[C@H]1CNC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001133923231 765233484 /nfs/dbraw/zinc/23/34/84/765233484.db2.gz DJCJCUCRYMXHIV-NSHDSACASA-N 1 1 316.321 0.609 20 5 DCBDMO CC(C)(C)[NH+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001116345389 765863118 /nfs/dbraw/zinc/86/31/18/765863118.db2.gz SKUVSPMLDRTUHG-UHFFFAOYSA-N 1 1 322.365 0.699 20 5 DCBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)CC[N@@H+](C)CCO ZINC001203068346 768547106 /nfs/dbraw/zinc/54/71/06/768547106.db2.gz ROQLMEJQPUMDOO-UHFFFAOYSA-N 1 1 311.342 0.108 20 5 DCBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@]23CC[NH2+][C@H]2CC(=O)N3)n1 ZINC001155569578 770546625 /nfs/dbraw/zinc/54/66/25/770546625.db2.gz HLXBXAKRZGGNPI-UPONEAKYSA-N 1 1 312.717 0.337 20 5 DCBDMO COc1nc(N2C[C@H]3[C@H](C2)CCC[N@H+]3C)nc(OC)c1[N+](=O)[O-] ZINC001157266827 771570830 /nfs/dbraw/zinc/57/08/30/771570830.db2.gz XUWFHFKABGSUJS-UWVGGRQHSA-N 1 1 323.353 0.932 20 5 DCBDMO Cc1[nH+]c2c(n1CCO)CC[C@H](Nc1ncc([N+](=O)[O-])cn1)C2 ZINC001186897121 772102808 /nfs/dbraw/zinc/10/28/08/772102808.db2.gz XPBWYIWKRHGXTH-JTQLQIEISA-N 1 1 318.337 0.851 20 5 DCBDMO CNC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(OC)n2)CC1 ZINC001161136882 772173449 /nfs/dbraw/zinc/17/34/49/772173449.db2.gz AXKLVRMJWKBCJO-UHFFFAOYSA-N 1 1 323.353 0.621 20 5 DCBDMO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cnn[nH]1 ZINC001161690537 772265928 /nfs/dbraw/zinc/26/59/28/772265928.db2.gz DNAPCCKONYJGCR-UHFFFAOYSA-N 1 1 304.310 0.623 20 5 DCBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001162249467 772347594 /nfs/dbraw/zinc/34/75/94/772347594.db2.gz QWAYCPITESEBIP-UWVGGRQHSA-N 1 1 323.353 0.099 20 5 DCBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001162249467 772347599 /nfs/dbraw/zinc/34/75/99/772347599.db2.gz QWAYCPITESEBIP-UWVGGRQHSA-N 1 1 323.353 0.099 20 5 DCBDMO O=[N+]([O-])c1c(N[C@H]2CN3CCC2CC3)ncnc1C1C[NH2+]C1 ZINC001163387918 772519125 /nfs/dbraw/zinc/51/91/25/772519125.db2.gz KVOAYISFXDWTDP-NSHDSACASA-N 1 1 304.354 0.578 20 5 DCBDMO COC(=O)c1ccnc(N2CCC(F)(F)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001164324529 772646583 /nfs/dbraw/zinc/64/65/83/772646583.db2.gz URNQTJACWAWSKQ-MRVPVSSYSA-N 1 1 316.264 0.949 20 5 DCBDMO COC(=O)C1([NH3+])CCN(c2c(C)c([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001166797046 772861509 /nfs/dbraw/zinc/86/15/09/772861509.db2.gz ICANWGMPQVPZCM-UHFFFAOYSA-N 1 1 310.310 0.007 20 5 DCBDMO CC(C)OCC[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001205229439 772984360 /nfs/dbraw/zinc/98/43/60/772984360.db2.gz BZQOJJJQMZFDII-ZIAGYGMSSA-N 1 1 313.398 0.905 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Nc3ccncc3[N+](=O)[O-])[C@@H]2C1 ZINC001215998195 774098305 /nfs/dbraw/zinc/09/83/05/774098305.db2.gz XVFIFBLLQAIJIC-HBNTYKKESA-N 1 1 305.338 0.873 20 5 DCBDMO C[C@@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)[C@@H]1C[N@H+](C)CCO1 ZINC001137379975 943283671 /nfs/dbraw/zinc/28/36/71/943283671.db2.gz WYDZBVFGZSTYEE-RQJHMYQMSA-N 1 1 317.733 0.420 20 5 DCBDMO C[C@@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)[C@@H]1C[N@@H+](C)CCO1 ZINC001137379975 943283676 /nfs/dbraw/zinc/28/36/76/943283676.db2.gz WYDZBVFGZSTYEE-RQJHMYQMSA-N 1 1 317.733 0.420 20 5 DCBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001320435645 945875803 /nfs/dbraw/zinc/87/58/03/945875803.db2.gz XDNXJGZOTNJXSG-UHFFFAOYSA-N 1 1 324.385 0.038 20 5 DCBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(CC(N)=O)CC1 ZINC001254560923 946409054 /nfs/dbraw/zinc/40/90/54/946409054.db2.gz ZSBZUYFGYGMDOA-LBPRGKRZSA-N 1 1 306.366 0.629 20 5 DCBDMO COC(=O)[C@@H]1C[N@H+](C)CCN1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254605405 946416037 /nfs/dbraw/zinc/41/60/37/946416037.db2.gz BVYTUAHQOBKBEJ-GJZGRUSLSA-N 1 1 319.361 0.851 20 5 DCBDMO COC(=O)[C@@H]1C[N@@H+](C)CCN1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254605405 946416047 /nfs/dbraw/zinc/41/60/47/946416047.db2.gz BVYTUAHQOBKBEJ-GJZGRUSLSA-N 1 1 319.361 0.851 20 5 DCBDMO COC(=O)N1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC001324542763 947452446 /nfs/dbraw/zinc/45/24/46/947452446.db2.gz NDCDEUHXRJMZSF-UHFFFAOYSA-N 1 1 324.337 0.531 20 5 DCBDMO COC(=O)N1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC001324542763 947452450 /nfs/dbraw/zinc/45/24/50/947452450.db2.gz NDCDEUHXRJMZSF-UHFFFAOYSA-N 1 1 324.337 0.531 20 5 DCBDMO C[N@H+]1CCC[C@H](NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC001325498838 947816628 /nfs/dbraw/zinc/81/66/28/947816628.db2.gz AFSSITWIDUPLSI-LBPRGKRZSA-N 1 1 320.349 0.421 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001328843454 949131859 /nfs/dbraw/zinc/13/18/59/949131859.db2.gz LLFHELAYLGWJCH-LLVKDONJSA-N 1 1 309.322 0.859 20 5 DCBDMO C[N@@H+](CCCNC(=O)c1nnc[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001490263394 950521431 /nfs/dbraw/zinc/52/14/31/950521431.db2.gz BPXLBBFWDJTQAC-UHFFFAOYSA-N 1 1 318.337 0.965 20 5 DCBDMO C[N@H+](CCCNC(=O)c1ncn[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001490263394 950521448 /nfs/dbraw/zinc/52/14/48/950521448.db2.gz BPXLBBFWDJTQAC-UHFFFAOYSA-N 1 1 318.337 0.965 20 5 DCBDMO C[N@@H+](CCCNC(=O)c1ncn[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001490263394 950521467 /nfs/dbraw/zinc/52/14/67/950521467.db2.gz BPXLBBFWDJTQAC-UHFFFAOYSA-N 1 1 318.337 0.965 20 5 DCBDMO C[N@H+](CCCNC(=O)c1nc[nH]n1)Cc1cccc([N+](=O)[O-])c1 ZINC001490263394 950521488 /nfs/dbraw/zinc/52/14/88/950521488.db2.gz BPXLBBFWDJTQAC-UHFFFAOYSA-N 1 1 318.337 0.965 20 5 DCBDMO C[N@@H+](CCCNC(=O)c1nc[nH]n1)Cc1cccc([N+](=O)[O-])c1 ZINC001490263394 950521507 /nfs/dbraw/zinc/52/15/07/950521507.db2.gz BPXLBBFWDJTQAC-UHFFFAOYSA-N 1 1 318.337 0.965 20 5 DCBDMO CN(CCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)CC(N)=O ZINC001280794742 951091372 /nfs/dbraw/zinc/09/13/72/951091372.db2.gz XDLLMYLWCYYLHD-UHFFFAOYSA-N 1 1 322.365 0.751 20 5 DCBDMO CCn1c(CCC[N+](=O)[O-])nnc1N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC001339233255 953082878 /nfs/dbraw/zinc/08/28/78/953082878.db2.gz JICGACBBVOMZMU-SWLSCSKDSA-N 1 1 322.413 0.895 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CC([NH+]2CCOCC2)C1 ZINC001348367350 954284090 /nfs/dbraw/zinc/28/40/90/954284090.db2.gz HIWBCNOAZMBRKC-UHFFFAOYSA-N 1 1 323.353 0.079 20 5 DCBDMO Nc1cc(N2CC[C@H](C[NH+]3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC001354120380 956291818 /nfs/dbraw/zinc/29/18/18/956291818.db2.gz QZTGIYZXOBGXKC-LLVKDONJSA-N 1 1 307.354 0.731 20 5 DCBDMO O=[N+]([O-])c1cccc2ncnc(NC[C@@]3(CO)COCC[NH2+]3)c21 ZINC001307201363 960144941 /nfs/dbraw/zinc/14/49/41/960144941.db2.gz WCMCURMRMXBGFS-CQSZACIVSA-N 1 1 319.321 0.301 20 5 DCBDMO Cn1cc([C@@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)nn1 ZINC001308149461 960168008 /nfs/dbraw/zinc/16/80/08/960168008.db2.gz DLHZTTDVKIPZGK-LLVKDONJSA-N 1 1 305.342 0.799 20 5 DCBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3C[C@H](CCO)[C@H](CO)C3)nc2c1 ZINC001308164741 960171608 /nfs/dbraw/zinc/17/16/08/960171608.db2.gz VIXSCMOVYCUMBZ-QWRGUYRKSA-N 1 1 320.349 0.894 20 5 DCBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@H](CCO)[C@H](CO)C3)nc2c1 ZINC001308164741 960171614 /nfs/dbraw/zinc/17/16/14/960171614.db2.gz VIXSCMOVYCUMBZ-QWRGUYRKSA-N 1 1 320.349 0.894 20 5 DCBDMO COc1ncccc1C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001316822969 960357034 /nfs/dbraw/zinc/35/70/34/960357034.db2.gz AGOBKKZCNNPAOV-CHWSQXEVSA-N 1 1 322.365 0.694 20 5 DCBDMO COC(=O)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[N@H+](C)C1 ZINC001451626525 1006320188 /nfs/dbraw/zinc/32/01/88/1006320188.db2.gz RATPEORVMKCDNU-SNVBAGLBSA-N 1 1 322.321 0.167 20 5 DCBDMO COC(=O)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[N@@H+](C)C1 ZINC001451626525 1006320202 /nfs/dbraw/zinc/32/02/02/1006320202.db2.gz RATPEORVMKCDNU-SNVBAGLBSA-N 1 1 322.321 0.167 20 5 DCBDMO CCCNC(=O)C[NH+]1CCC(Nc2nn(C)cc2[N+](=O)[O-])CC1 ZINC001458102054 1012078441 /nfs/dbraw/zinc/07/84/41/1012078441.db2.gz SSNDGTVFJZOLKA-UHFFFAOYSA-N 1 1 324.385 0.731 20 5 DCBDMO Nc1ncc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC001544953601 1012550358 /nfs/dbraw/zinc/55/03/58/1012550358.db2.gz WVGFTHYAVRDOQY-SECBINFHSA-N 1 1 305.338 0.786 20 5 DCBDMO Cn1nccc1[C@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001460848225 1012975737 /nfs/dbraw/zinc/97/57/37/1012975737.db2.gz WVYQCYBMTGUZJQ-TZMCWYRMSA-N 1 1 320.353 0.723 20 5 DCBDMO CCn1nncc1C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001501950823 1019585166 /nfs/dbraw/zinc/58/51/66/1019585166.db2.gz QEXHHWARJDYBTP-VXGBXAGGSA-N 1 1 322.369 0.092 20 5 DCBDMO CNC(=O)c1ccc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000278729782 214360482 /nfs/dbraw/zinc/36/04/82/214360482.db2.gz KWEKSEVLFDHBNO-TXEJJXNPSA-N 1 1 304.350 0.952 20 5 DCBDMO C[N@H+]1CC[C@H]2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000272634814 210036870 /nfs/dbraw/zinc/03/68/70/210036870.db2.gz XKLOWKJSLCQPST-WCQYABFASA-N 1 1 322.369 0.527 20 5 DCBDMO CN1CC[C@@H]([N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000072665169 191212206 /nfs/dbraw/zinc/21/22/06/191212206.db2.gz OITUEUSVWWAKKE-CMPLNLGQSA-N 1 1 305.338 0.707 20 5 DCBDMO CN1CC[C@@H]([N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000072665169 191212209 /nfs/dbraw/zinc/21/22/09/191212209.db2.gz OITUEUSVWWAKKE-CMPLNLGQSA-N 1 1 305.338 0.707 20 5 DCBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NCCC[NH+]1CCOCC1 ZINC000172922711 198167783 /nfs/dbraw/zinc/16/77/83/198167783.db2.gz CAIDLXMGPYQZAK-UHFFFAOYSA-N 1 1 307.350 0.976 20 5 DCBDMO CC(C)[C@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000489318452 241092316 /nfs/dbraw/zinc/09/23/16/241092316.db2.gz OMGNTKCIOVMLGL-GFCCVEGCSA-N 1 1 322.365 0.555 20 5 DCBDMO CC(C)[C@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000489318452 241092320 /nfs/dbraw/zinc/09/23/20/241092320.db2.gz OMGNTKCIOVMLGL-GFCCVEGCSA-N 1 1 322.365 0.555 20 5 DCBDMO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1nncn1C ZINC000275132988 212140907 /nfs/dbraw/zinc/14/09/07/212140907.db2.gz CCPDKVRAEJOTPX-ZYHUDNBSSA-N 1 1 321.337 0.814 20 5 DCBDMO COc1cc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000264758181 204133519 /nfs/dbraw/zinc/13/35/19/204133519.db2.gz NSZCIDKJGAPPKA-LBPRGKRZSA-N 1 1 322.365 0.579 20 5 DCBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000288512962 220192880 /nfs/dbraw/zinc/19/28/80/220192880.db2.gz XDMOGMSYQBVIOK-CQSZACIVSA-N 1 1 307.350 0.926 20 5 DCBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000288512962 220192884 /nfs/dbraw/zinc/19/28/84/220192884.db2.gz XDMOGMSYQBVIOK-CQSZACIVSA-N 1 1 307.350 0.926 20 5 DCBDMO O=C([C@@H]1COCC[NH2+]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000237959408 284508772 /nfs/dbraw/zinc/50/87/72/284508772.db2.gz IYLXESNPJZLGHS-LBPRGKRZSA-N 1 1 320.349 0.232 20 5 DCBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000350898166 254329360 /nfs/dbraw/zinc/32/93/60/254329360.db2.gz JJDFVJZDIAILJX-SNVBAGLBSA-N 1 1 323.353 0.413 20 5 DCBDMO COC(=O)CC[N@@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)[C@@H](C)C1 ZINC000271618346 209063777 /nfs/dbraw/zinc/06/37/77/209063777.db2.gz DLCUTSZFMYVVQS-VIFPVBQESA-N 1 1 324.341 0.041 20 5 DCBDMO COC(=O)CC[N@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)[C@@H](C)C1 ZINC000271618346 209063778 /nfs/dbraw/zinc/06/37/78/209063778.db2.gz DLCUTSZFMYVVQS-VIFPVBQESA-N 1 1 324.341 0.041 20 5 DCBDMO C[C@@]1(C(N)=O)CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000280874577 130822782 /nfs/dbraw/zinc/82/27/82/130822782.db2.gz ZTOGKQMDXZFWHR-XHDPSFHLSA-N 1 1 323.349 0.532 20 5 DCBDMO O=C(C[N@@H+](CCO)CCCO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000111245310 395804706 /nfs/dbraw/zinc/80/47/06/395804706.db2.gz BSQFJFLGNBONOO-UHFFFAOYSA-N 1 1 323.349 0.161 20 5 DCBDMO O=C(C[N@H+](CCO)CCCO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000111245310 395804709 /nfs/dbraw/zinc/80/47/09/395804709.db2.gz BSQFJFLGNBONOO-UHFFFAOYSA-N 1 1 323.349 0.161 20 5 DCBDMO C[N@@H+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000270955288 395826259 /nfs/dbraw/zinc/82/62/59/395826259.db2.gz MLIKIULYRHMVBZ-UHFFFAOYSA-N 1 1 308.338 0.309 20 5 DCBDMO C[N@H+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000270955288 395826263 /nfs/dbraw/zinc/82/62/63/395826263.db2.gz MLIKIULYRHMVBZ-UHFFFAOYSA-N 1 1 308.338 0.309 20 5 DCBDMO COc1cc(S(=O)(=O)N2CC[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000237228468 395907987 /nfs/dbraw/zinc/90/79/87/395907987.db2.gz KGVNSSARRVTETB-VIFPVBQESA-N 1 1 315.351 0.586 20 5 DCBDMO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000119149684 395867724 /nfs/dbraw/zinc/86/77/24/395867724.db2.gz YKNLOGFHUIUIFU-RISCZKNCSA-N 1 1 307.350 0.973 20 5 DCBDMO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000119149684 395867728 /nfs/dbraw/zinc/86/77/28/395867728.db2.gz YKNLOGFHUIUIFU-RISCZKNCSA-N 1 1 307.350 0.973 20 5 DCBDMO CNC(=O)c1ccc(N2CC[NH+](CCOC)CC2)c([N+](=O)[O-])c1 ZINC000053554594 395885374 /nfs/dbraw/zinc/88/53/74/395885374.db2.gz KOXVXQQIRHTJSP-UHFFFAOYSA-N 1 1 322.365 0.723 20 5 DCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1C[N@H+](C)CCO1 ZINC000134989689 395936388 /nfs/dbraw/zinc/93/63/88/395936388.db2.gz OAASGDGIWIAZPE-JOYOIKCWSA-N 1 1 308.338 0.626 20 5 DCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1C[N@@H+](C)CCO1 ZINC000134989689 395936390 /nfs/dbraw/zinc/93/63/90/395936390.db2.gz OAASGDGIWIAZPE-JOYOIKCWSA-N 1 1 308.338 0.626 20 5 DCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1C[N@H+](C)CCO1 ZINC000134989669 395936408 /nfs/dbraw/zinc/93/64/08/395936408.db2.gz OAASGDGIWIAZPE-SKDRFNHKSA-N 1 1 308.338 0.626 20 5 DCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1C[N@@H+](C)CCO1 ZINC000134989669 395936410 /nfs/dbraw/zinc/93/64/10/395936410.db2.gz OAASGDGIWIAZPE-SKDRFNHKSA-N 1 1 308.338 0.626 20 5 DCBDMO CC[N@@H+](CCO)CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000274625892 395963138 /nfs/dbraw/zinc/96/31/38/395963138.db2.gz HABOEKALZUXVSI-UHFFFAOYSA-N 1 1 324.381 0.751 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000154030080 396029556 /nfs/dbraw/zinc/02/95/56/396029556.db2.gz DBXSIEFGNMESNX-GFCCVEGCSA-N 1 1 309.370 0.898 20 5 DCBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000068602026 396060659 /nfs/dbraw/zinc/06/06/59/396060659.db2.gz DYXPUHSAUCIRBC-UHFFFAOYSA-N 1 1 324.337 0.470 20 5 DCBDMO C[NH2+][C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000262272210 396116584 /nfs/dbraw/zinc/11/65/84/396116584.db2.gz VYBPZNQZNPKLJC-ZDUSSCGKSA-N 1 1 303.322 0.905 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC(F)(F)C[NH3+] ZINC000162643663 396083216 /nfs/dbraw/zinc/08/32/16/396083216.db2.gz PIJVSAJAWSEYLQ-UHFFFAOYSA-N 1 1 309.294 0.776 20 5 DCBDMO C[NH+]1CCN(C(=O)CCNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000074137378 396158316 /nfs/dbraw/zinc/15/83/16/396158316.db2.gz UGDNEJMZDSIAID-UHFFFAOYSA-N 1 1 320.349 0.489 20 5 DCBDMO COCC[N@@H+](C)CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000263817272 396234116 /nfs/dbraw/zinc/23/41/16/396234116.db2.gz YPKSBOPSOVENRB-UHFFFAOYSA-N 1 1 321.337 0.779 20 5 DCBDMO COCC[N@H+](C)CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000263817272 396234119 /nfs/dbraw/zinc/23/41/19/396234119.db2.gz YPKSBOPSOVENRB-UHFFFAOYSA-N 1 1 321.337 0.779 20 5 DCBDMO COCC[N@@H+](C)CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000263817272 396234122 /nfs/dbraw/zinc/23/41/22/396234122.db2.gz YPKSBOPSOVENRB-UHFFFAOYSA-N 1 1 321.337 0.779 20 5 DCBDMO Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000077817095 396233961 /nfs/dbraw/zinc/23/39/61/396233961.db2.gz AVJAAEAUANFKPB-LLVKDONJSA-N 1 1 320.349 0.910 20 5 DCBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CN1CCOCC1 ZINC000083245408 396313854 /nfs/dbraw/zinc/31/38/54/396313854.db2.gz OQYSPRRDKRMNIM-OAHLLOKOSA-N 1 1 309.366 0.720 20 5 DCBDMO CC1(C)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000083418713 396313877 /nfs/dbraw/zinc/31/38/77/396313877.db2.gz OGBJYJMZIXXPIS-NSHDSACASA-N 1 1 300.384 0.980 20 5 DCBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000264536774 396288285 /nfs/dbraw/zinc/28/82/85/396288285.db2.gz NBCRPMXQXLOSIY-ZDUSSCGKSA-N 1 1 320.349 0.664 20 5 DCBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290850016 396474081 /nfs/dbraw/zinc/47/40/81/396474081.db2.gz XGAVCUAJHIZCFB-KCJUWKMLSA-N 1 1 305.338 0.983 20 5 DCBDMO CC(C)([NH2+]CC(=O)N1CCNC1=O)c1ccccc1[N+](=O)[O-] ZINC000292247381 396539524 /nfs/dbraw/zinc/53/95/24/396539524.db2.gz XGJOBPSYIKOYPY-UHFFFAOYSA-N 1 1 306.322 0.971 20 5 DCBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000595506438 396618996 /nfs/dbraw/zinc/61/89/96/396618996.db2.gz CHEYJHDBYCGYDQ-HUUCEWRRSA-N 1 1 323.397 0.570 20 5 DCBDMO Cc1n[nH]c(C(=O)N2CC[C@@H]([N@@H+](C)CCO)[C@H]2C)c1[N+](=O)[O-] ZINC000293656252 396623691 /nfs/dbraw/zinc/62/36/91/396623691.db2.gz KXUCADDCOJRISA-NXEZZACHSA-N 1 1 311.342 0.153 20 5 DCBDMO Cc1[nH]nc(C(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)c1[N+](=O)[O-] ZINC000293656252 396623693 /nfs/dbraw/zinc/62/36/93/396623693.db2.gz KXUCADDCOJRISA-NXEZZACHSA-N 1 1 311.342 0.153 20 5 DCBDMO Cc1[nH]nc(C(=O)N2CC[C@@H]([N@@H+](C)CCO)[C@H]2C)c1[N+](=O)[O-] ZINC000293656252 396623697 /nfs/dbraw/zinc/62/36/97/396623697.db2.gz KXUCADDCOJRISA-NXEZZACHSA-N 1 1 311.342 0.153 20 5 DCBDMO COCC[N@@H+](C)C[C@H](O)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000562945909 396686875 /nfs/dbraw/zinc/68/68/75/396686875.db2.gz CYXBVMCZQABLHY-AWEZNQCLSA-N 1 1 311.382 0.966 20 5 DCBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596104254 396717789 /nfs/dbraw/zinc/71/77/89/396717789.db2.gz IQPCRDGQQGGCPJ-SNVBAGLBSA-N 1 1 323.353 0.695 20 5 DCBDMO CCN1CCC([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304386612 396731240 /nfs/dbraw/zinc/73/12/40/396731240.db2.gz ZUXXMIKHZRSWDK-CQSZACIVSA-N 1 1 311.386 0.568 20 5 DCBDMO CCN1CCC([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304386611 396731524 /nfs/dbraw/zinc/73/15/24/396731524.db2.gz ZUXXMIKHZRSWDK-AWEZNQCLSA-N 1 1 311.386 0.568 20 5 DCBDMO CC1(C)CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@H+]1CCO ZINC000596224279 396735915 /nfs/dbraw/zinc/73/59/15/396735915.db2.gz YPXMBWOIQAKZHW-UHFFFAOYSA-N 1 1 322.365 0.587 20 5 DCBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CCCC[C@H]1O ZINC000305804320 396753351 /nfs/dbraw/zinc/75/33/51/396753351.db2.gz JAJLLMJNZXAFGO-FPMFFAJLSA-N 1 1 312.370 0.635 20 5 DCBDMO C[N@@H+](CCOC(C)(C)C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610859706 396771970 /nfs/dbraw/zinc/77/19/70/396771970.db2.gz IZQCXPDTDKFLOX-GFCCVEGCSA-N 1 1 300.359 0.899 20 5 DCBDMO CNc1ccc(C(=O)NCC[N@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000600808199 396947872 /nfs/dbraw/zinc/94/78/72/396947872.db2.gz MENDGKQDEIERHZ-NSHDSACASA-N 1 1 308.338 0.433 20 5 DCBDMO C[C@@H]1[C@@H](C)[N@H+](C)C[C@H](C)N1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000593188437 397336525 /nfs/dbraw/zinc/33/65/25/397336525.db2.gz HFSFOCBOWUOVDK-QJPTWQEYSA-N 1 1 322.365 0.696 20 5 DCBDMO CCc1nn(C)c(N2CC(CN3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000599107312 397338821 /nfs/dbraw/zinc/33/88/21/397338821.db2.gz LDEHHNNDYZYJFJ-UHFFFAOYSA-N 1 1 322.413 0.574 20 5 DCBDMO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593853149 397456030 /nfs/dbraw/zinc/45/60/30/397456030.db2.gz CTRQELFRRCTLGF-LLVKDONJSA-N 1 1 309.297 0.625 20 5 DCBDMO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593853149 397456034 /nfs/dbraw/zinc/45/60/34/397456034.db2.gz CTRQELFRRCTLGF-LLVKDONJSA-N 1 1 309.297 0.625 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000599694282 397507247 /nfs/dbraw/zinc/50/72/47/397507247.db2.gz PPHBFLCVDGHBBR-LLVKDONJSA-N 1 1 324.337 0.792 20 5 DCBDMO CCc1n[nH]c(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599936776 397544238 /nfs/dbraw/zinc/54/42/38/397544238.db2.gz BWJIKYCASUUSRR-UWVGGRQHSA-N 1 1 323.353 0.161 20 5 DCBDMO CCc1n[nH]c(C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599936776 397544241 /nfs/dbraw/zinc/54/42/41/397544241.db2.gz BWJIKYCASUUSRR-UWVGGRQHSA-N 1 1 323.353 0.161 20 5 DCBDMO C[N@H+]1CCC[C@@H](N2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000610453337 397823192 /nfs/dbraw/zinc/82/31/92/397823192.db2.gz NRBHQMHEHSTKSX-CQSZACIVSA-N 1 1 322.413 0.503 20 5 DCBDMO CC[C@@]1(CO)CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000249577637 287114718 /nfs/dbraw/zinc/11/47/18/287114718.db2.gz PYIFDUICIIXYCZ-ZIAGYGMSSA-N 1 1 312.370 0.637 20 5 DCBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000121182515 415797439 /nfs/dbraw/zinc/79/74/39/415797439.db2.gz FPJBDNORXHCRKP-AAEUAGOBSA-N 1 1 309.370 0.980 20 5 DCBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290822607 415826133 /nfs/dbraw/zinc/82/61/33/415826133.db2.gz STUATXDBNKFUDL-MWLCHTKSSA-N 1 1 307.354 0.865 20 5 DCBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCOCCO ZINC000337494720 415968747 /nfs/dbraw/zinc/96/87/47/415968747.db2.gz QMKPWKAESWOXSD-NSHDSACASA-N 1 1 311.338 0.863 20 5 DCBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCOCCO ZINC000337494720 415968750 /nfs/dbraw/zinc/96/87/50/415968750.db2.gz QMKPWKAESWOXSD-NSHDSACASA-N 1 1 311.338 0.863 20 5 DCBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000153037425 415975220 /nfs/dbraw/zinc/97/52/20/415975220.db2.gz UUBSYFPBWQZHHV-LLVKDONJSA-N 1 1 310.358 0.575 20 5 DCBDMO CNC(=O)CC[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000170782493 416032638 /nfs/dbraw/zinc/03/26/38/416032638.db2.gz PKAILBKWBOVFTQ-UHFFFAOYSA-N 1 1 320.349 0.552 20 5 DCBDMO CNC(=O)CC[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000170782493 416032643 /nfs/dbraw/zinc/03/26/43/416032643.db2.gz PKAILBKWBOVFTQ-UHFFFAOYSA-N 1 1 320.349 0.552 20 5 DCBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](CCOC)CC1 ZINC000301358958 416081766 /nfs/dbraw/zinc/08/17/66/416081766.db2.gz NGJHHTOYTNUTOF-UHFFFAOYSA-N 1 1 322.365 0.723 20 5 DCBDMO CCNC(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000301669990 416087790 /nfs/dbraw/zinc/08/77/90/416087790.db2.gz YKZBHZWANIKCHY-UHFFFAOYSA-N 1 1 321.381 0.946 20 5 DCBDMO CCNC(=O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000301669990 416087795 /nfs/dbraw/zinc/08/77/95/416087795.db2.gz YKZBHZWANIKCHY-UHFFFAOYSA-N 1 1 321.381 0.946 20 5 DCBDMO COC(=O)c1cnc(NC[C@@]2(O)CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000357687369 416116821 /nfs/dbraw/zinc/11/68/21/416116821.db2.gz VWEZQBKISXGPKT-ZDUSSCGKSA-N 1 1 310.310 0.255 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000358052867 416178329 /nfs/dbraw/zinc/17/83/29/416178329.db2.gz GSLRMOTUANUTSE-AWEZNQCLSA-N 1 1 311.313 0.459 20 5 DCBDMO CC(C)c1n[nH]c(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000358066875 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CC(C)[N@H+]1CC[C@H](N(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000452111959 417453771 /nfs/dbraw/zinc/45/37/71/417453771.db2.gz DKNGGVZXLDPMRN-GXTWGEPZSA-N 1 1 311.386 0.567 20 5 DCBDMO CC(C)N1CC[C@H]([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000452111959 417453778 /nfs/dbraw/zinc/45/37/78/417453778.db2.gz DKNGGVZXLDPMRN-GXTWGEPZSA-N 1 1 311.386 0.567 20 5 DCBDMO CC(C)N1CC[C@H]([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000452111959 417453781 /nfs/dbraw/zinc/45/37/81/417453781.db2.gz DKNGGVZXLDPMRN-GXTWGEPZSA-N 1 1 311.386 0.567 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000453927482 417537962 /nfs/dbraw/zinc/53/79/62/417537962.db2.gz KRTXBICYZORRIN-MFKMUULPSA-N 1 1 318.333 0.696 20 5 DCBDMO CC(C)Oc1nc(NC[C@@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000575071658 417508947 /nfs/dbraw/zinc/50/89/47/417508947.db2.gz BSPFAKCLYCPEBF-GFCCVEGCSA-N 1 1 323.397 1.435 20 5 DCBDMO CNc1nc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] 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WPKLXYAEQMLUHR-UHFFFAOYSA-N 1 1 309.294 0.776 20 5 DCBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1C ZINC000054371753 274099815 /nfs/dbraw/zinc/09/98/15/274099815.db2.gz UQHIJMPSXVGVKH-VIFPVBQESA-N 1 1 315.351 0.586 20 5 DCBDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000088349752 277118471 /nfs/dbraw/zinc/11/84/71/277118471.db2.gz CVJLICPISWWLEU-CQSZACIVSA-N 1 1 305.334 0.810 20 5 DCBDMO C[N@H+]1CCO[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000088349752 277118473 /nfs/dbraw/zinc/11/84/73/277118473.db2.gz CVJLICPISWWLEU-CQSZACIVSA-N 1 1 305.334 0.810 20 5 DCBDMO Cc1cc[nH+]c(N2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)c1 ZINC000549224132 288195158 /nfs/dbraw/zinc/19/51/58/288195158.db2.gz TUFUZDBYHOABAW-UHFFFAOYSA-N 1 1 316.321 0.984 20 5 DCBDMO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000584230328 331872601 /nfs/dbraw/zinc/87/26/01/331872601.db2.gz YECMYWVUNITUOM-UFGOTCBOSA-N 1 1 309.322 0.925 20 5 DCBDMO CC[C@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000247190304 523283487 /nfs/dbraw/zinc/28/34/87/523283487.db2.gz BQLXNCPMAFANHN-NEPJUHHUSA-N 1 1 300.384 0.980 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266214223 526713522 /nfs/dbraw/zinc/71/35/22/526713522.db2.gz KJQDLLALRQWZDP-LLVKDONJSA-N 1 1 308.338 0.717 20 5 DCBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1COC[C@H]1O ZINC000285480210 536307562 /nfs/dbraw/zinc/30/75/62/536307562.db2.gz IBPRVJPRGBAGRX-CHWSQXEVSA-N 1 1 309.322 0.615 20 5 DCBDMO CC[N@@H+](CCO)CCNC(=O)Nc1c(C)cncc1[N+](=O)[O-] ZINC001670000939 1174969879 /nfs/dbraw/zinc/96/98/79/1174969879.db2.gz GWMGMTNTAFHVMM-UHFFFAOYSA-N 1 1 311.342 0.156 20 5 DCBDMO CCOC(=O)[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000932644318 658696052 /nfs/dbraw/zinc/69/60/52/658696052.db2.gz IZABLRKKAHFHNT-LLVKDONJSA-N 1 1 309.322 0.642 20 5 DCBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000893754075 661404536 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0.593 20 5 DCBDMO CN(CC[N@@H+](C)CCO)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000912606408 664193058 /nfs/dbraw/zinc/19/30/58/664193058.db2.gz CIAGTHGMHLKONX-UHFFFAOYSA-N 1 1 309.366 0.910 20 5 DCBDMO Cc1ccc(CNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)cc1[N+](=O)[O-] ZINC000913754355 664719464 /nfs/dbraw/zinc/71/94/64/664719464.db2.gz MXHRRZDSXMHFKX-IUODEOHRSA-N 1 1 307.350 0.975 20 5 DCBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000841456766 667178970 /nfs/dbraw/zinc/17/89/70/667178970.db2.gz LWQLALUBEQRCOH-VXGBXAGGSA-N 1 1 301.387 0.735 20 5 DCBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000863829460 667186767 /nfs/dbraw/zinc/18/67/67/667186767.db2.gz HJJIKZBJQNORKB-ZRFDWSJLSA-N 1 1 305.334 0.791 20 5 DCBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000863829459 667186859 /nfs/dbraw/zinc/18/68/59/667186859.db2.gz HJJIKZBJQNORKB-XSHSDMCLSA-N 1 1 305.334 0.791 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 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321.381 0.946 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@H]2CN(C(=O)C3CC3)C[C@H]2C1 ZINC001048635885 754829194 /nfs/dbraw/zinc/82/91/94/754829194.db2.gz KVRPNDQZVRVVAH-TXEJJXNPSA-N 1 1 319.365 0.629 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H]2CN(C(=O)C3CC3)C[C@H]2C1 ZINC001048635885 754829197 /nfs/dbraw/zinc/82/91/97/754829197.db2.gz KVRPNDQZVRVVAH-TXEJJXNPSA-N 1 1 319.365 0.629 20 5 DCBDMO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccns2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086084074 759693163 /nfs/dbraw/zinc/69/31/63/759693163.db2.gz BMGXXOKMYHXHNU-RBLKWDMZSA-N 1 1 310.379 0.793 20 5 DCBDMO Cc1cnc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC001086084363 759695020 /nfs/dbraw/zinc/69/50/20/759695020.db2.gz OHCYKELQEVRNLW-ZMJPVWNMSA-N 1 1 319.365 0.435 20 5 DCBDMO Cn1nccc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086363229 760101599 /nfs/dbraw/zinc/10/15/99/760101599.db2.gz IQPBNPHBFQLBSU-FPQZTECRSA-N 1 1 307.354 0.070 20 5 DCBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC001116342072 765862148 /nfs/dbraw/zinc/86/21/48/765862148.db2.gz MBCSFDJXTUNNLV-SNVBAGLBSA-N 1 1 306.322 0.109 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CCn1cccc1 ZINC001135736843 766075520 /nfs/dbraw/zinc/07/55/20/766075520.db2.gz PAIGODDSNTWMDV-UHFFFAOYSA-N 1 1 320.353 0.426 20 5 DCBDMO CN1CCN(CCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001120558896 767078612 /nfs/dbraw/zinc/07/86/12/767078612.db2.gz KWSUDDCCLQJYPA-MRXNPFEDSA-N 1 1 322.409 0.855 20 5 DCBDMO CC[N@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC001233623969 769414309 /nfs/dbraw/zinc/41/43/09/769414309.db2.gz MLKIORJAODENNA-SNVBAGLBSA-N 1 1 315.351 0.715 20 5 DCBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)n2nnc(C[NH3+])n2)c1F ZINC001173180581 769556297 /nfs/dbraw/zinc/55/62/97/769556297.db2.gz WWNYTQCBOOVEQJ-ZETCQYMHSA-N 1 1 310.289 0.991 20 5 DCBDMO COc1ccc(CC(=O)N2CC([NH2+]C3COC3)C2)cc1[N+](=O)[O-] ZINC001179459088 771008511 /nfs/dbraw/zinc/00/85/11/771008511.db2.gz ZFFHTUQSXQDBNT-UHFFFAOYSA-N 1 1 321.333 0.345 20 5 DCBDMO Cc1ncsc1CC[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157767168 771666075 /nfs/dbraw/zinc/66/60/75/771666075.db2.gz IOXAEJTVNDBWID-GHMZBOCLSA-N 1 1 312.395 0.755 20 5 DCBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)n1 ZINC001164380354 772652688 /nfs/dbraw/zinc/65/26/88/772652688.db2.gz VHCVGENLJGYQIM-SWLSCSKDSA-N 1 1 322.365 0.936 20 5 DCBDMO Cc1ccc([N+](=O)[O-])c(NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)n1 ZINC001164380354 772652692 /nfs/dbraw/zinc/65/26/92/772652692.db2.gz VHCVGENLJGYQIM-SWLSCSKDSA-N 1 1 322.365 0.936 20 5 DCBDMO C[NH+](C)/C=C/c1cc(N2CCOC[C@@H](O)C2)ncc1[N+](=O)[O-] ZINC001164512378 772671337 /nfs/dbraw/zinc/67/13/37/772671337.db2.gz YVTSGCSDYJZVJB-PCAWENJQSA-N 1 1 308.338 0.720 20 5 DCBDMO COc1nc(N2CC([N@@H+](C)[C@@H]3CCOC3)C2)ncc1[N+](=O)[O-] ZINC001165203782 772703987 /nfs/dbraw/zinc/70/39/87/772703987.db2.gz GFQDLFNKSGGFRO-SECBINFHSA-N 1 1 309.326 0.303 20 5 DCBDMO C[NH+]1CCN(C(=O)CO[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001222537202 775379940 /nfs/dbraw/zinc/37/99/40/775379940.db2.gz SKGVNRIOLFSTQY-HNNXBMFYSA-N 1 1 319.361 0.853 20 5 DCBDMO C[N+](C)(C)C[C@H](O)CC(=O)Oc1[nH]c(=O)nc2cnccc21 ZINC001226975453 775904303 /nfs/dbraw/zinc/90/43/03/775904303.db2.gz YJCSDHOEKKSVRZ-SECBINFHSA-O 1 1 307.330 0.093 20 5 DCBDMO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2C[C@@H](O)CC[NH2+]2)n1 ZINC001247513302 945557921 /nfs/dbraw/zinc/55/79/21/945557921.db2.gz NKPYRTSVXFUXOY-YUMQZZPRSA-N 1 1 309.257 0.964 20 5 DCBDMO C[C@@H]1C[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC001319591298 945626910 /nfs/dbraw/zinc/62/69/10/945626910.db2.gz HOTFMMZKZXXTSC-MNOVXSKESA-N 1 1 320.349 0.498 20 5 DCBDMO O=C1COC[C@@H]2C[N@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CCN12 ZINC001254609865 946414479 /nfs/dbraw/zinc/41/44/79/946414479.db2.gz ZTCRXMJGNCLYPE-GJZGRUSLSA-N 1 1 317.345 0.605 20 5 DCBDMO O=C1COC[C@@H]2C[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CCN12 ZINC001254609865 946414487 /nfs/dbraw/zinc/41/44/87/946414487.db2.gz ZTCRXMJGNCLYPE-GJZGRUSLSA-N 1 1 317.345 0.605 20 5 DCBDMO COC(=O)CN1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254599014 946415362 /nfs/dbraw/zinc/41/53/62/946415362.db2.gz JNEBLKRWXDWVEL-OAHLLOKOSA-N 1 1 319.361 0.853 20 5 DCBDMO NC(=O)CN1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254603880 946415518 /nfs/dbraw/zinc/41/55/18/946415518.db2.gz RDRIHYXMMIJBRD-CQSZACIVSA-N 1 1 304.350 0.165 20 5 DCBDMO CCN(CC[NH2+]Cc1cnc(C)nc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001273373371 946901751 /nfs/dbraw/zinc/90/17/51/946901751.db2.gz AEECGSGTXPMETC-CHWSQXEVSA-N 1 1 307.354 0.388 20 5 DCBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001324265819 947372885 /nfs/dbraw/zinc/37/28/85/947372885.db2.gz IKPOELLJKACURB-LBPRGKRZSA-N 1 1 322.365 0.603 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c1 ZINC001324277305 947375588 /nfs/dbraw/zinc/37/55/88/947375588.db2.gz GBCOWXJGPXRKEG-MWLCHTKSSA-N 1 1 320.296 0.102 20 5 DCBDMO C[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1O ZINC001576214235 950660975 /nfs/dbraw/zinc/66/09/75/950660975.db2.gz NOWQFGSMGQEUNL-ZANVPECISA-N 1 1 318.337 0.978 20 5 DCBDMO NC(=O)C1([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001333615561 952115810 /nfs/dbraw/zinc/11/58/10/952115810.db2.gz LBVHDSYDCRMWBF-UHFFFAOYSA-N 1 1 322.321 0.157 20 5 DCBDMO Cc1nc(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)ncc1[N+](=O)[O-] ZINC001333872449 952183312 /nfs/dbraw/zinc/18/33/12/952183312.db2.gz KTALDXQEEZRTEI-VXGBXAGGSA-N 1 1 307.354 0.729 20 5 DCBDMO C[C@H](c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1C)[N+](=O)[O-] ZINC001350589507 955139177 /nfs/dbraw/zinc/13/91/77/955139177.db2.gz VPYFNRAYDFVSQO-NEPJUHHUSA-N 1 1 324.385 0.454 20 5 DCBDMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001350863263 955207902 /nfs/dbraw/zinc/20/79/02/955207902.db2.gz ZJLBUZRBONTTMV-IAQYHMDHSA-N 1 1 316.361 0.872 20 5 DCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1C[N@@H+](C)CCN1C ZINC001293745159 957422843 /nfs/dbraw/zinc/42/28/43/957422843.db2.gz OOIPAQFDJVBBHJ-GXFFZTMASA-N 1 1 321.381 0.541 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)n1 ZINC001296814560 958051199 /nfs/dbraw/zinc/05/11/99/958051199.db2.gz QHPIFQMDZIATRP-RYUDHWBXSA-N 1 1 322.365 0.825 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)n1 ZINC001296814560 958051212 /nfs/dbraw/zinc/05/12/12/958051212.db2.gz QHPIFQMDZIATRP-RYUDHWBXSA-N 1 1 322.365 0.825 20 5 DCBDMO C[C@@H]1[C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC001303798409 960065875 /nfs/dbraw/zinc/06/58/75/960065875.db2.gz AUFDGDCFCQMSSQ-ZWNOBZJWSA-N 1 1 320.349 0.533 20 5 DCBDMO C[N@@H+](CCO)CCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC001307208643 960145019 /nfs/dbraw/zinc/14/50/19/960145019.db2.gz MZGSMZNQGLXHIX-UHFFFAOYSA-N 1 1 322.365 0.823 20 5 DCBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001464229802 1015890317 /nfs/dbraw/zinc/89/03/17/1015890317.db2.gz CWERPHCXZQQJGC-RYUDHWBXSA-N 1 1 320.349 0.500 20 5 DCBDMO CC1(C)[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC001469717017 1016358184 /nfs/dbraw/zinc/35/81/84/1016358184.db2.gz PZISCVGHTOXNKN-MNOVXSKESA-N 1 1 323.353 0.547 20 5 DCBDMO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1c[nH]nc1[N+](=O)[O-] ZINC001455783719 1009969644 /nfs/dbraw/zinc/96/96/44/1009969644.db2.gz AWOLOAPGBYYBNB-VHSXEESVSA-N 1 1 311.367 0.628 20 5 DCBDMO O=C(N[C@H]1CCC[N@H+]2CCSC[C@H]12)c1c[nH]nc1[N+](=O)[O-] ZINC001455783719 1009969650 /nfs/dbraw/zinc/96/96/50/1009969650.db2.gz AWOLOAPGBYYBNB-VHSXEESVSA-N 1 1 311.367 0.628 20 5 DCBDMO C[N@H+]1C[C@@]2(C)CN(C(=O)c3ccnc(N)c3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001557740867 1012299230 /nfs/dbraw/zinc/29/92/30/1012299230.db2.gz QYBVQZHSGOYOSE-GASCZTMLSA-N 1 1 319.365 0.986 20 5 DCBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC([NH2+]C2COC2)C1 ZINC001558610948 1012372155 /nfs/dbraw/zinc/37/21/55/1012372155.db2.gz DFOGTMWMOWPTSO-ZZXKWVIFSA-N 1 1 303.318 0.807 20 5 DCBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2C[C@H](CO)[C@H](CCO)C2)cc1 ZINC001560230872 1012444432 /nfs/dbraw/zinc/44/44/32/1012444432.db2.gz ISJAAYASRHKUJM-CHWSQXEVSA-N 1 1 310.350 0.896 20 5 DCBDMO NC(=O)c1ccc(CN2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001460902377 1012990157 /nfs/dbraw/zinc/99/01/57/1012990157.db2.gz SANRKEANHIJTET-STQMWFEESA-N 1 1 322.340 0.922 20 5 DCBDMO NC(=O)c1ccc(CN2CC[N@H+]3C[C@@H](F)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001460902377 1012990171 /nfs/dbraw/zinc/99/01/71/1012990171.db2.gz SANRKEANHIJTET-STQMWFEESA-N 1 1 322.340 0.922 20 5 DCBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000330892571 529929411 /nfs/dbraw/zinc/92/94/11/529929411.db2.gz JBLNNEDFQLGZMH-NSHDSACASA-N 1 1 310.358 0.519 20 5 DCBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184602248 529948611 /nfs/dbraw/zinc/94/86/11/529948611.db2.gz FMYCVCROGBNMAX-SNVBAGLBSA-N 1 1 307.354 0.986 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174176143 198301805 /nfs/dbraw/zinc/30/18/05/198301805.db2.gz GJOHIUKPTANLCF-LLVKDONJSA-N 1 1 309.322 0.982 20 5 DCBDMO CNC(=O)[C@H](C)C[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000081526480 192283811 /nfs/dbraw/zinc/28/38/11/192283811.db2.gz IYRIFLLQGLVCBW-LLVKDONJSA-N 1 1 322.365 0.872 20 5 DCBDMO NC(=O)c1cccc([N+](=O)[O-])c1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000420609910 283386756 /nfs/dbraw/zinc/38/67/56/283386756.db2.gz IYESVHOTYSEVTK-SNVBAGLBSA-N 1 1 306.322 0.215 20 5 DCBDMO NC(=O)c1cccc([N+](=O)[O-])c1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000420609910 283386759 /nfs/dbraw/zinc/38/67/59/283386759.db2.gz IYESVHOTYSEVTK-SNVBAGLBSA-N 1 1 306.322 0.215 20 5 DCBDMO CC[C@@H](C)[N@H+](CC(=O)OC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000281527731 216362602 /nfs/dbraw/zinc/36/26/02/216362602.db2.gz ZUJFIQGISVKLRE-PWSUYJOCSA-N 1 1 314.342 0.426 20 5 DCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000264724096 204104577 /nfs/dbraw/zinc/10/45/77/204104577.db2.gz LTLYAKITMCLJLQ-CYBMUJFWSA-N 1 1 307.354 0.962 20 5 DCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000266183121 205166279 /nfs/dbraw/zinc/16/62/79/205166279.db2.gz YZXBVFWTJKCHKP-AWEZNQCLSA-N 1 1 306.366 0.499 20 5 DCBDMO CC[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000351916874 254380588 /nfs/dbraw/zinc/38/05/88/254380588.db2.gz IPLMXUBITCUNPJ-CQSZACIVSA-N 1 1 323.349 0.940 20 5 DCBDMO CC[N@H+]1CCO[C@@H](C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000351916874 254380589 /nfs/dbraw/zinc/38/05/89/254380589.db2.gz IPLMXUBITCUNPJ-CQSZACIVSA-N 1 1 323.349 0.940 20 5 DCBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000275758403 130380570 /nfs/dbraw/zinc/38/05/70/130380570.db2.gz FAICJRWIAOEEIK-SECBINFHSA-N 1 1 310.358 0.248 20 5 DCBDMO CC[N@@H+](CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000102479274 395770516 /nfs/dbraw/zinc/77/05/16/395770516.db2.gz NVYDXGMQULJSPT-UHFFFAOYSA-N 1 1 310.354 0.603 20 5 DCBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000046448262 395776903 /nfs/dbraw/zinc/77/69/03/395776903.db2.gz WBSLEFVENPZUKH-UHFFFAOYSA-N 1 1 310.310 0.128 20 5 DCBDMO C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1C[N@H+](C)CCO1 ZINC000119176484 395868129 /nfs/dbraw/zinc/86/81/29/395868129.db2.gz KDXBNSJZWGBXHT-PWSUYJOCSA-N 1 1 311.342 0.017 20 5 DCBDMO C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1C[N@@H+](C)CCO1 ZINC000119176484 395868134 /nfs/dbraw/zinc/86/81/34/395868134.db2.gz KDXBNSJZWGBXHT-PWSUYJOCSA-N 1 1 311.342 0.017 20 5 DCBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC([NH+](C)C)C1 ZINC000273614847 395933911 /nfs/dbraw/zinc/93/39/11/395933911.db2.gz UTFZXSDFWQVRNK-UHFFFAOYSA-N 1 1 317.342 0.977 20 5 DCBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000064737304 395989071 /nfs/dbraw/zinc/98/90/71/395989071.db2.gz KJCHXPXYRXDRDQ-JTQLQIEISA-N 1 1 306.326 0.749 20 5 DCBDMO C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000157424503 396063209 /nfs/dbraw/zinc/06/32/09/396063209.db2.gz MZJXBKOSUZAQQR-SMDDNHRTSA-N 1 1 307.350 0.973 20 5 DCBDMO C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000157424503 396063211 /nfs/dbraw/zinc/06/32/11/396063211.db2.gz MZJXBKOSUZAQQR-SMDDNHRTSA-N 1 1 307.350 0.973 20 5 DCBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000278083366 396104706 /nfs/dbraw/zinc/10/47/06/396104706.db2.gz HMTUGVOFYDUNCQ-LDYMZIIASA-N 1 1 306.322 0.908 20 5 DCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCO)C1CC1 ZINC000071955965 396126202 /nfs/dbraw/zinc/12/62/02/396126202.db2.gz JJWHCMXSWDCRDU-UHFFFAOYSA-N 1 1 309.322 0.999 20 5 DCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCO)C1CC1 ZINC000071955965 396126205 /nfs/dbraw/zinc/12/62/05/396126205.db2.gz JJWHCMXSWDCRDU-UHFFFAOYSA-N 1 1 309.322 0.999 20 5 DCBDMO Cc1nn(C)c(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000177169552 396167935 /nfs/dbraw/zinc/16/79/35/396167935.db2.gz XNPVEWNWEJCHAL-WPRPVWTQSA-N 1 1 307.354 0.992 20 5 DCBDMO CC(C)OCC[NH+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000074773411 396171932 /nfs/dbraw/zinc/17/19/32/396171932.db2.gz PFZKMMCHDYXRHZ-UHFFFAOYSA-N 1 1 310.358 0.514 20 5 DCBDMO CCOC(=O)C[C@@H](C)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000182653495 396252474 /nfs/dbraw/zinc/25/24/74/396252474.db2.gz CEHMNFUVSGWBCT-PWSUYJOCSA-N 1 1 314.342 0.426 20 5 DCBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N1CCOCC1 ZINC000282398430 396287234 /nfs/dbraw/zinc/28/72/34/396287234.db2.gz HOMZPOYKGIHQCN-UHFFFAOYSA-N 1 1 307.350 0.928 20 5 DCBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N1CCOCC1 ZINC000282398430 396287236 /nfs/dbraw/zinc/28/72/36/396287236.db2.gz HOMZPOYKGIHQCN-UHFFFAOYSA-N 1 1 307.350 0.928 20 5 DCBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000081290834 396296022 /nfs/dbraw/zinc/29/60/22/396296022.db2.gz WPHOBSLJNXSEAU-LBPRGKRZSA-N 1 1 322.369 0.567 20 5 DCBDMO Cc1cccc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000264614475 396296192 /nfs/dbraw/zinc/29/61/92/396296192.db2.gz AKWQBJHPIHFFJW-GFCCVEGCSA-N 1 1 306.366 0.879 20 5 DCBDMO Cc1cccc(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000264614475 396296194 /nfs/dbraw/zinc/29/61/94/396296194.db2.gz AKWQBJHPIHFFJW-GFCCVEGCSA-N 1 1 306.366 0.879 20 5 DCBDMO COCC[N@H+]1CC[C@H](Nc2nc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000286427406 396394394 /nfs/dbraw/zinc/39/43/94/396394394.db2.gz BMUZQMFTJGUIMZ-JTQLQIEISA-N 1 1 324.337 0.909 20 5 DCBDMO CCOCC[NH+]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290676685 396469447 /nfs/dbraw/zinc/46/94/47/396469447.db2.gz RVJASQKRPPRYCC-UHFFFAOYSA-N 1 1 323.353 0.247 20 5 DCBDMO O=[N+]([O-])c1ccc(-n2cc(C[N@H+]3CCC[C@@H]3CO)nn2)nc1 ZINC000594649179 396493878 /nfs/dbraw/zinc/49/38/78/396493878.db2.gz JGLWSXHYWVWALW-GFCCVEGCSA-N 1 1 304.310 0.527 20 5 DCBDMO O=[N+]([O-])c1ccc(-n2cc(C[N@@H+]3CCC[C@@H]3CO)nn2)nc1 ZINC000594649179 396493880 /nfs/dbraw/zinc/49/38/80/396493880.db2.gz JGLWSXHYWVWALW-GFCCVEGCSA-N 1 1 304.310 0.527 20 5 DCBDMO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000594964882 396541604 /nfs/dbraw/zinc/54/16/04/396541604.db2.gz BVZITNAAQZLLQC-VXGBXAGGSA-N 1 1 300.336 0.496 20 5 DCBDMO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000560418204 396614033 /nfs/dbraw/zinc/61/40/33/396614033.db2.gz NMDJAWJFBMSNHT-UHFFFAOYSA-N 1 1 318.293 0.381 20 5 DCBDMO CC(C)[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000562398396 396661454 /nfs/dbraw/zinc/66/14/54/396661454.db2.gz JJVVEPLGNHNPHS-LBPRGKRZSA-N 1 1 324.385 0.320 20 5 DCBDMO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588860177 396695905 /nfs/dbraw/zinc/69/59/05/396695905.db2.gz FDVOMOHTGUMBOO-WDEREUQCSA-N 1 1 311.363 0.937 20 5 DCBDMO CNc1ccc(C(=O)NCC[N@@H+](C)CCOC)cc1[N+](=O)[O-] ZINC000315530319 396790746 /nfs/dbraw/zinc/79/07/46/396790746.db2.gz GYVAMAAABCNDCN-UHFFFAOYSA-N 1 1 310.354 0.945 20 5 DCBDMO NC(=O)c1cc(N2CCN(c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000596211820 396733130 /nfs/dbraw/zinc/73/31/30/396733130.db2.gz WYFBYEYPAYNRRU-UHFFFAOYSA-N 1 1 316.321 0.743 20 5 DCBDMO NC(=O)c1ccc(C[NH+]2CCC(O)(CO)CC2)c([N+](=O)[O-])c1 ZINC000313634730 396770945 /nfs/dbraw/zinc/77/09/45/396770945.db2.gz KDLGMJOREARQRE-UHFFFAOYSA-N 1 1 309.322 0.013 20 5 DCBDMO CC1(C)CN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000591461721 396924357 /nfs/dbraw/zinc/92/43/57/396924357.db2.gz UHWUJZYDEDDCCM-UHFFFAOYSA-N 1 1 322.365 0.587 20 5 DCBDMO CC1(C)CN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000591461721 396924361 /nfs/dbraw/zinc/92/43/61/396924361.db2.gz UHWUJZYDEDDCCM-UHFFFAOYSA-N 1 1 322.365 0.587 20 5 DCBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000600808054 396946479 /nfs/dbraw/zinc/94/64/79/396946479.db2.gz GVPHCCKQQXTSNP-JTQLQIEISA-N 1 1 318.333 0.873 20 5 DCBDMO COC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[N@H+](C)C1 ZINC000572343366 397047397 /nfs/dbraw/zinc/04/73/97/397047397.db2.gz WJYITMYXNVQSHW-SNVBAGLBSA-N 1 1 324.337 0.110 20 5 DCBDMO COC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[N@@H+](C)C1 ZINC000572343366 397047400 /nfs/dbraw/zinc/04/74/00/397047400.db2.gz WJYITMYXNVQSHW-SNVBAGLBSA-N 1 1 324.337 0.110 20 5 DCBDMO COC(=O)[C@H]1C[C@H](O)C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000592205217 397127022 /nfs/dbraw/zinc/12/70/22/397127022.db2.gz VTOJCYWOBUSAPY-AAEUAGOBSA-N 1 1 324.333 0.829 20 5 DCBDMO C[N@@H+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@H](CO)C1 ZINC000601979508 397279809 /nfs/dbraw/zinc/27/98/09/397279809.db2.gz IJCNTQQKHKPQLS-NSHDSACASA-N 1 1 303.322 0.651 20 5 DCBDMO C[N@H+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@H](CO)C1 ZINC000601979508 397279816 /nfs/dbraw/zinc/27/98/16/397279816.db2.gz IJCNTQQKHKPQLS-NSHDSACASA-N 1 1 303.322 0.651 20 5 DCBDMO COCC[N@H+]1CC[C@H](Nc2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000598594788 397253118 /nfs/dbraw/zinc/25/31/18/397253118.db2.gz CPPIUDLZFQAAPW-JTQLQIEISA-N 1 1 324.337 0.909 20 5 DCBDMO CCOC(=O)c1ccnc(NCC[N@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000599199786 397361284 /nfs/dbraw/zinc/36/12/84/397361284.db2.gz PZCVTNAYHFMIGT-JTQLQIEISA-N 1 1 324.337 0.645 20 5 DCBDMO O=[N+]([O-])c1ccc2c(c1N1CC([N@@H+]3CC[C@@H](O)C3)C1)CCN2 ZINC000593503983 397377172 /nfs/dbraw/zinc/37/71/72/397377172.db2.gz NUBGXKQKFXSDPW-LLVKDONJSA-N 1 1 304.350 0.818 20 5 DCBDMO O=[N+]([O-])c1ccc2c(c1N1CC([N@H+]3CC[C@@H](O)C3)C1)CCN2 ZINC000593503983 397377176 /nfs/dbraw/zinc/37/71/76/397377176.db2.gz NUBGXKQKFXSDPW-LLVKDONJSA-N 1 1 304.350 0.818 20 5 DCBDMO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000593067586 397319126 /nfs/dbraw/zinc/31/91/26/397319126.db2.gz WVMZRZGTICHHSV-VXGBXAGGSA-N 1 1 309.322 0.275 20 5 DCBDMO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000593067586 397319130 /nfs/dbraw/zinc/31/91/30/397319130.db2.gz WVMZRZGTICHHSV-VXGBXAGGSA-N 1 1 309.322 0.275 20 5 DCBDMO COc1ccc(CN2CC([N@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000593679744 397425564 /nfs/dbraw/zinc/42/55/64/397425564.db2.gz JOTJKXIEWUHCPK-CYBMUJFWSA-N 1 1 307.350 0.854 20 5 DCBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594204685 397513496 /nfs/dbraw/zinc/51/34/96/397513496.db2.gz WRAPIXARHQSROI-OLZOCXBDSA-N 1 1 307.354 0.924 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000602890191 397513623 /nfs/dbraw/zinc/51/36/23/397513623.db2.gz XJHLJHLQMAMCGV-NWDGAFQWSA-N 1 1 307.354 0.700 20 5 DCBDMO COc1ccc(NC(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000599770599 397524471 /nfs/dbraw/zinc/52/44/71/397524471.db2.gz OSYPSASZGVCLCO-LLVKDONJSA-N 1 1 324.337 0.792 20 5 DCBDMO CN(CC(=O)N1CC[NH+](C)CC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000602989001 397543405 /nfs/dbraw/zinc/54/34/05/397543405.db2.gz AJMJNSSHILRKCU-UHFFFAOYSA-N 1 1 324.356 0.940 20 5 DCBDMO C[C@H]1COCCN1C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000579850246 397595784 /nfs/dbraw/zinc/59/57/84/397595784.db2.gz RPWNWRHKNVOVBE-ZDUSSCGKSA-N 1 1 323.397 0.976 20 5 DCBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000609268804 397768352 /nfs/dbraw/zinc/76/83/52/397768352.db2.gz CGDOQSSDLRHOQM-NSHDSACASA-N 1 1 310.354 0.774 20 5 DCBDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000609881550 397795484 /nfs/dbraw/zinc/79/54/84/397795484.db2.gz WMFOESSASPDKOY-VXGBXAGGSA-N 1 1 319.365 0.954 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](N3CCCC3)C2)c1 ZINC000075685407 158062466 /nfs/dbraw/zinc/06/24/66/158062466.db2.gz NQMXFXIBJLVZKU-JSGCOSHPSA-N 1 1 309.370 0.322 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H](N3CCCC3)C2)c1 ZINC000075685407 158062467 /nfs/dbraw/zinc/06/24/67/158062467.db2.gz NQMXFXIBJLVZKU-JSGCOSHPSA-N 1 1 309.370 0.322 20 5 DCBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000320777061 159010963 /nfs/dbraw/zinc/01/09/63/159010963.db2.gz LUKUSPFPLLUDBY-NWDGAFQWSA-N 1 1 320.349 0.770 20 5 DCBDMO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000367578968 159345212 /nfs/dbraw/zinc/34/52/12/159345212.db2.gz XKYMFNTXRYSEDF-STQMWFEESA-N 1 1 309.370 0.586 20 5 DCBDMO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000368050086 159372065 /nfs/dbraw/zinc/37/20/65/159372065.db2.gz YPOHUGKVNFLIHK-WDEREUQCSA-N 1 1 320.349 0.770 20 5 DCBDMO CN(c1ncc([N+](=O)[O-])cn1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000368176867 159379326 /nfs/dbraw/zinc/37/93/26/159379326.db2.gz CPVZRCYHZYSVFG-ZDUSSCGKSA-N 1 1 320.397 0.990 20 5 DCBDMO CN(c1ncc([N+](=O)[O-])cn1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368176867 159379328 /nfs/dbraw/zinc/37/93/28/159379328.db2.gz CPVZRCYHZYSVFG-ZDUSSCGKSA-N 1 1 320.397 0.990 20 5 DCBDMO O=C1[C@@H]([N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000368333705 159388184 /nfs/dbraw/zinc/38/81/84/159388184.db2.gz URGGPPFAKNAEKD-YJNKXOJESA-N 1 1 317.345 0.870 20 5 DCBDMO COC[C@H]1CCCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000342741280 415275960 /nfs/dbraw/zinc/27/59/60/415275960.db2.gz NABYZXZTGSMLSP-JSGCOSHPSA-N 1 1 312.370 0.901 20 5 DCBDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000332164719 415276103 /nfs/dbraw/zinc/27/61/03/415276103.db2.gz WPCJYGVEHOGCHY-IPYPFGDCSA-N 1 1 323.397 0.711 20 5 DCBDMO C[C@@H]1CN2CCCC[C@H]2C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000332164719 415276110 /nfs/dbraw/zinc/27/61/10/415276110.db2.gz WPCJYGVEHOGCHY-IPYPFGDCSA-N 1 1 323.397 0.711 20 5 DCBDMO C[C@@H]1CN2CCCC[C@H]2C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000332164719 415276116 /nfs/dbraw/zinc/27/61/16/415276116.db2.gz WPCJYGVEHOGCHY-IPYPFGDCSA-N 1 1 323.397 0.711 20 5 DCBDMO COc1ccc(OCC[N@@H+](C)[C@H]2COC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000352792130 415320054 /nfs/dbraw/zinc/32/00/54/415320054.db2.gz KRNSERRIQRRCBP-STQMWFEESA-N 1 1 312.322 0.674 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H](COC(F)F)C2)c1 ZINC000353021378 415410618 /nfs/dbraw/zinc/41/06/18/415410618.db2.gz JTDVFVVYBUUGCW-ONGXEEELSA-N 1 1 320.296 0.713 20 5 DCBDMO C[N@@H+]1CCO[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000088349751 415514767 /nfs/dbraw/zinc/51/47/67/415514767.db2.gz CVJLICPISWWLEU-AWEZNQCLSA-N 1 1 305.334 0.810 20 5 DCBDMO C[N@H+]1CCO[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000088349751 415514771 /nfs/dbraw/zinc/51/47/71/415514771.db2.gz CVJLICPISWWLEU-AWEZNQCLSA-N 1 1 305.334 0.810 20 5 DCBDMO CCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC(C)(C)O ZINC000353485809 415562385 /nfs/dbraw/zinc/56/23/85/415562385.db2.gz DNZFRQINOOVVLP-LBPRGKRZSA-N 1 1 300.359 0.635 20 5 DCBDMO CCCC[N@@H+](C)CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000343496786 415618841 /nfs/dbraw/zinc/61/88/41/415618841.db2.gz WRUZJPOQBDJRKL-UHFFFAOYSA-N 1 1 310.354 0.605 20 5 DCBDMO C[C@H]1[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCC[N@H+]1C ZINC000343433705 415597898 /nfs/dbraw/zinc/59/78/98/415597898.db2.gz GSXWOAWNPUGBIT-JQWIXIFHSA-N 1 1 308.338 0.355 20 5 DCBDMO CCC[C@@]1(CO)CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000344127286 415844841 /nfs/dbraw/zinc/84/48/41/415844841.db2.gz JMKGCHUECBDCEW-UONOGXRCSA-N 1 1 312.370 0.637 20 5 DCBDMO COC(=O)c1cc(C(=O)NCC[NH+]2CCC2)cc([N+](=O)[O-])c1 ZINC000337581474 415980093 /nfs/dbraw/zinc/98/00/93/415980093.db2.gz JALQTDUQSFGPEO-UHFFFAOYSA-N 1 1 307.306 0.817 20 5 DCBDMO CCc1ccc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000358059763 416182746 /nfs/dbraw/zinc/18/27/46/416182746.db2.gz DMSGRWGEUKIHGO-HNNXBMFYSA-N 1 1 307.350 0.954 20 5 DCBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000347704578 416221331 /nfs/dbraw/zinc/22/13/31/416221331.db2.gz WWJOBPOWQOOHTF-UHFFFAOYSA-N 1 1 323.397 0.643 20 5 DCBDMO O=C1[C@H]([N@H+]2C[C@@H](O)C[C@H]2CO)CCN1c1cccc([N+](=O)[O-])c1 ZINC000186528557 416255891 /nfs/dbraw/zinc/25/58/91/416255891.db2.gz FOJXZIVPHOUHME-MELADBBJSA-N 1 1 321.333 0.128 20 5 DCBDMO O=C1[C@H]([N@@H+]2C[C@@H](O)C[C@H]2CO)CCN1c1cccc([N+](=O)[O-])c1 ZINC000186528557 416255893 /nfs/dbraw/zinc/25/58/93/416255893.db2.gz FOJXZIVPHOUHME-MELADBBJSA-N 1 1 321.333 0.128 20 5 DCBDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000416493255 416372589 /nfs/dbraw/zinc/37/25/89/416372589.db2.gz DHTFUCMXKIJUBN-LBPRGKRZSA-N 1 1 313.379 0.966 20 5 DCBDMO Cc1c(CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)cccc1[N+](=O)[O-] ZINC000360525422 416394284 /nfs/dbraw/zinc/39/42/84/416394284.db2.gz AUOCEQFVZAGXAS-HNNXBMFYSA-N 1 1 318.377 0.909 20 5 DCBDMO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000367602254 416650782 /nfs/dbraw/zinc/65/07/82/416650782.db2.gz SCYXXLCLWYHLDK-RYUDHWBXSA-N 1 1 309.370 0.623 20 5 DCBDMO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000367602254 416650785 /nfs/dbraw/zinc/65/07/85/416650785.db2.gz SCYXXLCLWYHLDK-RYUDHWBXSA-N 1 1 309.370 0.623 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H]2CN2CCCC2)c1 ZINC000369825862 416833130 /nfs/dbraw/zinc/83/31/30/416833130.db2.gz LSYPDWQZSSNVKJ-ZFWWWQNUSA-N 1 1 323.397 0.712 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H]2CN2CCCC2)c1 ZINC000369825862 416833134 /nfs/dbraw/zinc/83/31/34/416833134.db2.gz LSYPDWQZSSNVKJ-ZFWWWQNUSA-N 1 1 323.397 0.712 20 5 DCBDMO [NH3+]Cc1cn([C@@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)C2)nn1 ZINC000521252233 417000103 /nfs/dbraw/zinc/00/01/03/417000103.db2.gz DDIXRUJZBQODDI-GFCCVEGCSA-N 1 1 320.357 0.179 20 5 DCBDMO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525184357 417128359 /nfs/dbraw/zinc/12/83/59/417128359.db2.gz ZVDQDLBJTRHYFW-SNVBAGLBSA-N 1 1 314.367 0.705 20 5 DCBDMO CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525184357 417128367 /nfs/dbraw/zinc/12/83/67/417128367.db2.gz ZVDQDLBJTRHYFW-SNVBAGLBSA-N 1 1 314.367 0.705 20 5 DCBDMO Cc1nn(C)c(N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1[N+](=O)[O-] ZINC000568739132 417170312 /nfs/dbraw/zinc/17/03/12/417170312.db2.gz NYRCBTVUOWRUJY-LLVKDONJSA-N 1 1 322.369 0.037 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)c1 ZINC000453010498 417517064 /nfs/dbraw/zinc/51/70/64/417517064.db2.gz GLZVRKZIRBDFMX-QLFBSQMISA-N 1 1 322.365 0.796 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)c1 ZINC000453010498 417517072 /nfs/dbraw/zinc/51/70/72/417517072.db2.gz GLZVRKZIRBDFMX-QLFBSQMISA-N 1 1 322.365 0.796 20 5 DCBDMO CC1=CC[N@@H+](CCNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000355308155 261329601 /nfs/dbraw/zinc/32/96/01/261329601.db2.gz ACKYGZGTJKALJW-UHFFFAOYSA-N 1 1 307.354 0.950 20 5 DCBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNc1ncc([N+](=O)[O-])cc1F ZINC000413139571 262202382 /nfs/dbraw/zinc/20/23/82/262202382.db2.gz QUVXAGWQLYLKDD-LLVKDONJSA-N 1 1 311.317 0.881 20 5 DCBDMO C[C@H](O)C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420977057 262387547 /nfs/dbraw/zinc/38/75/47/262387547.db2.gz UPISVILYBSSJHG-JTQLQIEISA-N 1 1 317.367 0.186 20 5 DCBDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445024779 271744664 /nfs/dbraw/zinc/74/46/64/271744664.db2.gz XTPQOXLVUJUKEF-JTQLQIEISA-N 1 1 324.337 0.536 20 5 DCBDMO C[NH+](C)C1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000272163865 276775259 /nfs/dbraw/zinc/77/52/59/276775259.db2.gz ZPALWKSLCCARBF-UHFFFAOYSA-N 1 1 303.315 0.668 20 5 DCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000548387708 288138613 /nfs/dbraw/zinc/13/86/13/288138613.db2.gz LRWXNZQKTGRACP-UHFFFAOYSA-N 1 1 305.298 0.014 20 5 DCBDMO C[C@@H]1CSCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000190422428 525166637 /nfs/dbraw/zinc/16/66/37/525166637.db2.gz LBCVBQURENLKFH-JQWIXIFHSA-N 1 1 300.384 0.837 20 5 DCBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@@H](C)C1 ZINC000186986755 525794323 /nfs/dbraw/zinc/79/43/23/525794323.db2.gz NFKHQAAHEDSYCD-WDEREUQCSA-N 1 1 322.365 0.704 20 5 DCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@@H](C)C1 ZINC000186986755 525794335 /nfs/dbraw/zinc/79/43/35/525794335.db2.gz NFKHQAAHEDSYCD-WDEREUQCSA-N 1 1 322.365 0.704 20 5 DCBDMO CC(C)(C)[C@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000331329775 526737933 /nfs/dbraw/zinc/73/79/33/526737933.db2.gz QPQSHVFNZDHVML-CHWSQXEVSA-N 1 1 312.370 0.899 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCOC[C@H]2CC2CC2)c1 ZINC000933211073 658561218 /nfs/dbraw/zinc/56/12/18/658561218.db2.gz YTJJMRXCROQEEN-OCCSQVGLSA-N 1 1 310.354 0.653 20 5 DCBDMO CN1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+](C)CC1 ZINC000888998972 658619622 /nfs/dbraw/zinc/61/96/22/658619622.db2.gz SYAWPWKPEBPNFQ-UHFFFAOYSA-N 1 1 321.381 0.496 20 5 DCBDMO Cc1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC001022061475 658807310 /nfs/dbraw/zinc/80/73/10/658807310.db2.gz JTXAYXWSDFXOPF-RBLKWDMZSA-N 1 1 310.379 0.854 20 5 DCBDMO CCc1noc(C)c1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001022064154 658821509 /nfs/dbraw/zinc/82/15/09/658821509.db2.gz YPHRKNVSTHRVOT-FBKDDSFISA-N 1 1 322.365 0.947 20 5 DCBDMO Cc1nc(C)c(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001025776082 659556835 /nfs/dbraw/zinc/55/68/35/659556835.db2.gz WVGYSJVFVJGBRP-DIACKHNESA-N 1 1 320.349 0.503 20 5 DCBDMO Cc1nc(C)c(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001025776082 659556838 /nfs/dbraw/zinc/55/68/38/659556838.db2.gz WVGYSJVFVJGBRP-DIACKHNESA-N 1 1 320.349 0.503 20 5 DCBDMO Cc1nc(C)c(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001025776082 659556841 /nfs/dbraw/zinc/55/68/41/659556841.db2.gz WVGYSJVFVJGBRP-DIACKHNESA-N 1 1 320.349 0.503 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775229 659557420 /nfs/dbraw/zinc/55/74/20/659557420.db2.gz GBVKJIGGGKZSSX-RGDJUOJXSA-N 1 1 302.334 0.293 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cccnc3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775229 659557423 /nfs/dbraw/zinc/55/74/23/659557423.db2.gz GBVKJIGGGKZSSX-RGDJUOJXSA-N 1 1 302.334 0.293 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775229 659557425 /nfs/dbraw/zinc/55/74/25/659557425.db2.gz GBVKJIGGGKZSSX-RGDJUOJXSA-N 1 1 302.334 0.293 20 5 DCBDMO Cn1ccnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000983647785 661996485 /nfs/dbraw/zinc/99/64/85/661996485.db2.gz COCDTEVOZLCZGN-DDHJBXDOSA-N 1 1 307.354 0.070 20 5 DCBDMO COc1c(O)ccc(CN2CC[N@H+](C)C[C@H]2CO)c1[N+](=O)[O-] ZINC000895479302 662188311 /nfs/dbraw/zinc/18/83/11/662188311.db2.gz FSZWAZZBDHTLIS-NSHDSACASA-N 1 1 311.338 0.417 20 5 DCBDMO COc1c(O)ccc(CN2CC[N@@H+](C)C[C@H]2CO)c1[N+](=O)[O-] ZINC000895479302 662188313 /nfs/dbraw/zinc/18/83/13/662188313.db2.gz FSZWAZZBDHTLIS-NSHDSACASA-N 1 1 311.338 0.417 20 5 DCBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCN(C)CC[N@@H+](C)CC1 ZINC000897095746 662390331 /nfs/dbraw/zinc/39/03/31/662390331.db2.gz VVCGTVDWHRAOEU-UHFFFAOYSA-N 1 1 310.402 0.803 20 5 DCBDMO CCn1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000996430018 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0.332 20 5 DCBDMO Cc1nc(Cl)nc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC001164666391 719371328 /nfs/dbraw/zinc/37/13/28/719371328.db2.gz FXAFLQZKOLBKCO-IUCAKERBSA-N 1 1 313.745 0.866 20 5 DCBDMO C[N@H+]1CCO[C@H]2CN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H]21 ZINC001164669332 719383085 /nfs/dbraw/zinc/38/30/85/719383085.db2.gz UTVULMKKVPUGNZ-MNOVXSKESA-N 1 1 309.282 0.417 20 5 DCBDMO COc1cc(C)nc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001164666512 719389806 /nfs/dbraw/zinc/38/98/06/719389806.db2.gz KSJYYYDXNSITLM-ZYHUDNBSSA-N 1 1 308.338 0.826 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)C(=O)C(C)(C)C ZINC001124976496 751768842 /nfs/dbraw/zinc/76/88/42/751768842.db2.gz BOMKUZGFHQMSFS-UHFFFAOYSA-N 1 1 311.342 0.149 20 5 DCBDMO CC(=O)N1CCc2cc(-n3cnc(C[NH3+])n3)cc([N+](=O)[O-])c21 ZINC001168757513 754470904 /nfs/dbraw/zinc/47/09/04/754470904.db2.gz YCFQHGJANFFZOP-UHFFFAOYSA-N 1 1 302.294 0.543 20 5 DCBDMO CCn1ccnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086083299 759693345 /nfs/dbraw/zinc/69/33/45/759693345.db2.gz UFMJMEZNFMBYPV-YVECIDJPSA-N 1 1 321.381 0.553 20 5 DCBDMO Cc1noc(C)c1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001123363755 767971013 /nfs/dbraw/zinc/97/10/13/767971013.db2.gz QNRLDVYBHSXOOQ-UHFFFAOYSA-N 1 1 322.325 0.453 20 5 DCBDMO C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@H+]1C1CCCC1 ZINC001123943574 768084067 /nfs/dbraw/zinc/08/40/67/768084067.db2.gz OSKNATYGVSFMOY-NSHDSACASA-N 1 1 322.369 0.662 20 5 DCBDMO CC(C)(C[NH2+]CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001101541501 764143612 /nfs/dbraw/zinc/14/36/12/764143612.db2.gz IVDAEKYYTXYAQY-CHWSQXEVSA-N 1 1 313.398 0.498 20 5 DCBDMO CN1CC(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)=NC1=O ZINC001133332385 764928550 /nfs/dbraw/zinc/92/85/50/764928550.db2.gz LHHHYZZBMDBFQO-UHFFFAOYSA-N 1 1 319.321 0.554 20 5 DCBDMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001136668798 766420290 /nfs/dbraw/zinc/42/02/90/766420290.db2.gz CAJYIVKOQXGBAD-WFASDCNBSA-N 1 1 323.349 0.545 20 5 DCBDMO COCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001121087857 767396391 /nfs/dbraw/zinc/39/63/91/767396391.db2.gz XPLBVUBMDJTPCK-UBDGZGRMSA-N 1 1 311.382 0.705 20 5 DCBDMO Cc1c[nH+]cn1CC(=O)NCCNc1ncccc1[N+](=O)[O-] ZINC001094008448 768807691 /nfs/dbraw/zinc/80/76/91/768807691.db2.gz NUDNCNMKKYQKJD-UHFFFAOYSA-N 1 1 304.310 0.723 20 5 DCBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)NC[C@H](O)C[NH3+])c1F ZINC001173177968 769556500 /nfs/dbraw/zinc/55/65/00/769556500.db2.gz YXGVMOXDDXGLTH-RKDXNWHRSA-N 1 1 301.318 0.583 20 5 DCBDMO CC(C)Oc1nc(-n2cnc(C[NH3+])cc2=N)ccc1[N+](=O)[O-] ZINC001156628404 770881665 /nfs/dbraw/zinc/88/16/65/770881665.db2.gz RALKFBNBVRFOMK-UHFFFAOYSA-N 1 1 304.310 0.901 20 5 DCBDMO COC(=O)c1cc([N+](=O)[O-])cnc1NC(=N)NCCCC[NH3+] ZINC001157093437 771532443 /nfs/dbraw/zinc/53/24/43/771532443.db2.gz AQGMUIAAXFXBCF-UHFFFAOYSA-N 1 1 310.314 0.452 20 5 DCBDMO CC(C)c1nnc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1C ZINC001157761724 771665275 /nfs/dbraw/zinc/66/52/75/771665275.db2.gz ZGXURXNIEBDJTH-GHMZBOCLSA-N 1 1 324.385 0.200 20 5 DCBDMO CCc1nc(C)c(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001157767491 771665945 /nfs/dbraw/zinc/66/59/45/771665945.db2.gz ONSRNMHVXMSYFK-GHMZBOCLSA-N 1 1 310.354 0.807 20 5 DCBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC([N@H+](C)[C@H]2CCOC2)C1 ZINC001158736429 771816711 /nfs/dbraw/zinc/81/67/11/771816711.db2.gz MAPFMTOSWXZODM-NSHDSACASA-N 1 1 308.338 0.446 20 5 DCBDMO CNC(=O)C[NH+]1CCC(Nc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC001161144809 772175007 /nfs/dbraw/zinc/17/50/07/772175007.db2.gz TWZGVQSUAITKLF-UHFFFAOYSA-N 1 1 308.342 0.316 20 5 DCBDMO C[N@@H+](CCNc1ncc([N+](=O)[O-])cc1F)CCOCCO ZINC001187422995 772183970 /nfs/dbraw/zinc/18/39/70/772183970.db2.gz ODHBHQDEYWILDF-UHFFFAOYSA-N 1 1 302.306 0.482 20 5 DCBDMO O=c1cc(CNc2cccnc2[N+](=O)[O-])nc2n1CCC[NH2+]C2 ZINC001163118454 772466709 /nfs/dbraw/zinc/46/67/09/772466709.db2.gz ULKDUYZJZQRGDF-UHFFFAOYSA-N 1 1 316.321 0.652 20 5 DCBDMO CC(C)(C)OC(=O)[C@H]([NH3+])C1CN(c2ccc([N+](=O)[O-])c(N)n2)C1 ZINC001163120394 772467213 /nfs/dbraw/zinc/46/72/13/772467213.db2.gz ZXFVQWWDJGVAGU-LLVKDONJSA-N 1 1 323.353 0.677 20 5 DCBDMO CC(C)(C)OC(=O)[C@H]([NH3+])C1CN(c2ncc([N+](=O)[O-])cc2N)C1 ZINC001163123486 772468334 /nfs/dbraw/zinc/46/83/34/772468334.db2.gz HEPLGFMLDIJLSX-LLVKDONJSA-N 1 1 323.353 0.677 20 5 DCBDMO C[C@H]1C(=O)NCCN1c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001166559250 772823330 /nfs/dbraw/zinc/82/33/30/772823330.db2.gz DMBNGWSKWUXNFW-RWCYGVJQSA-N 1 1 305.338 0.847 20 5 DCBDMO CC[N@@H+](C)[C@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC001196220227 773559832 /nfs/dbraw/zinc/55/98/32/773559832.db2.gz VNWNUQYQUYFYJS-VIFPVBQESA-N 1 1 317.371 0.043 20 5 DCBDMO CO[C@@H]1CC[N@@H+](CCOc2nc3c[nH]cc([N+](=O)[O-])c-3n2)C1 ZINC001230231746 776268207 /nfs/dbraw/zinc/26/82/07/776268207.db2.gz RAFGXPUCKCIOIN-SECBINFHSA-N 1 1 307.310 0.966 20 5 DCBDMO Cc1cc(C)n(CC[NH2+]CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001266696750 939213227 /nfs/dbraw/zinc/21/32/27/939213227.db2.gz QPCVVJAMEAJTHL-CHWSQXEVSA-N 1 1 309.370 0.213 20 5 DCBDMO C[N@H+](CCNC(=O)Cn1cncn1)Cc1ccccc1[N+](=O)[O-] ZINC001480943797 939465129 /nfs/dbraw/zinc/46/51/29/939465129.db2.gz HFFZGVKAQTVHSY-UHFFFAOYSA-N 1 1 318.337 0.435 20 5 DCBDMO C[N@@H+](CCNC(=O)Cn1cncn1)Cc1ccccc1[N+](=O)[O-] ZINC001480943797 939465131 /nfs/dbraw/zinc/46/51/31/939465131.db2.gz HFFZGVKAQTVHSY-UHFFFAOYSA-N 1 1 318.337 0.435 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C/C=C\CNC(=O)c1cn[nH]c1 ZINC001268515188 940210055 /nfs/dbraw/zinc/21/00/55/940210055.db2.gz SGJFJSYMMCWFBT-IHWYPQMZSA-N 1 1 319.325 0.127 20 5 DCBDMO CC[N@H+]1CC[C@@H](CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001319592727 945626403 /nfs/dbraw/zinc/62/64/03/945626403.db2.gz ZTKPHEFZCKZLLM-NSHDSACASA-N 1 1 308.338 0.215 20 5 DCBDMO C[C@H]1C[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC001319591300 945626669 /nfs/dbraw/zinc/62/66/69/945626669.db2.gz HOTFMMZKZXXTSC-WDEREUQCSA-N 1 1 320.349 0.498 20 5 DCBDMO O=C1C[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCN1 ZINC001254477023 946399060 /nfs/dbraw/zinc/39/90/60/946399060.db2.gz ZXJFMEVOFUYFNO-UHFFFAOYSA-N 1 1 304.350 0.995 20 5 DCBDMO O=C1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCN1 ZINC001254477023 946399067 /nfs/dbraw/zinc/39/90/67/946399067.db2.gz ZXJFMEVOFUYFNO-UHFFFAOYSA-N 1 1 304.350 0.995 20 5 DCBDMO CN1CCN(CC[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254567414 946409288 /nfs/dbraw/zinc/40/92/88/946409288.db2.gz NPDCJNAVQMCTPS-OAHLLOKOSA-N 1 1 304.394 0.899 20 5 DCBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC001261208942 947220590 /nfs/dbraw/zinc/22/05/90/947220590.db2.gz MGMHVWBZNDJMLJ-SECBINFHSA-N 1 1 316.321 0.816 20 5 DCBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001331865640 951367076 /nfs/dbraw/zinc/36/70/76/951367076.db2.gz TWSRTEXTUIXUCI-NSHDSACASA-N 1 1 308.338 0.433 20 5 DCBDMO CN(CC[N@@H+](C)CCO)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC001333777166 952152436 /nfs/dbraw/zinc/15/24/36/952152436.db2.gz PLUZQLCLQNRNDG-UHFFFAOYSA-N 1 1 322.365 0.840 20 5 DCBDMO Cc1nc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)ncc1[N+](=O)[O-] ZINC001333872446 952182937 /nfs/dbraw/zinc/18/29/37/952182937.db2.gz KTALDXQEEZRTEI-NEPJUHHUSA-N 1 1 307.354 0.729 20 5 DCBDMO COC(=O)[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C(=O)OC ZINC001334737707 952387376 /nfs/dbraw/zinc/38/73/76/952387376.db2.gz MEWULQXVPNBHDJ-TXEJJXNPSA-N 1 1 322.317 0.989 20 5 DCBDMO COC(=O)[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C(=O)OC ZINC001334737707 952387383 /nfs/dbraw/zinc/38/73/83/952387383.db2.gz MEWULQXVPNBHDJ-TXEJJXNPSA-N 1 1 322.317 0.989 20 5 DCBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001334938026 952415733 /nfs/dbraw/zinc/41/57/33/952415733.db2.gz XYEPREWLDZZVIJ-CMPLNLGQSA-N 1 1 320.349 0.355 20 5 DCBDMO Cc1nn(C)c(N2CC(CN3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC001334938657 952416009 /nfs/dbraw/zinc/41/60/09/952416009.db2.gz ZKYYKCPVCDQKKV-UHFFFAOYSA-N 1 1 308.386 0.320 20 5 DCBDMO O=C(Cn1cc([N+](=O)[O-])cn1)OC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC001344369746 953476034 /nfs/dbraw/zinc/47/60/34/953476034.db2.gz YZRFAMPLYHCTDS-LBPRGKRZSA-N 1 1 324.337 0.588 20 5 DCBDMO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2nnc3n2CCOC3)cc1 ZINC001345634605 953695174 /nfs/dbraw/zinc/69/51/74/953695174.db2.gz JVUBEUUGMSLVDE-GFCCVEGCSA-N 1 1 319.321 0.540 20 5 DCBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@]1(CO)COCC[NH2+]1 ZINC001302504395 960025057 /nfs/dbraw/zinc/02/50/57/960025057.db2.gz RUYWWJVAZSVIGK-BYPUDFOVSA-N 1 1 321.333 0.075 20 5 DCBDMO C[N@H+]1CC[C@H]1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001303898376 960069856 /nfs/dbraw/zinc/06/98/56/960069856.db2.gz HJWAFOKYZSQZBA-LBPRGKRZSA-N 1 1 306.322 0.145 20 5 DCBDMO O=[N+]([O-])c1cc2c(nc1NC[C@]1(CO)COCC[NH2+]1)CCCC2 ZINC001307200142 960144216 /nfs/dbraw/zinc/14/42/16/960144216.db2.gz JEQMRUKCFPODQI-HNNXBMFYSA-N 1 1 322.365 0.631 20 5 DCBDMO COc1ccc(C(=O)CNC(=O)[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC001471043073 1016514901 /nfs/dbraw/zinc/51/49/01/1016514901.db2.gz VYADYXLSMSPDJH-LLVKDONJSA-N 1 1 321.333 0.997 20 5 DCBDMO COc1ccc(C(=O)CNC(=O)[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC001471043073 1016514914 /nfs/dbraw/zinc/51/49/14/1016514914.db2.gz VYADYXLSMSPDJH-LLVKDONJSA-N 1 1 321.333 0.997 20 5 DCBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](Nc3ncccn3)C2)n1 ZINC001473863685 1016982258 /nfs/dbraw/zinc/98/22/58/1016982258.db2.gz BIZJAJWOTUBKLF-NSHDSACASA-N 1 1 303.326 0.768 20 5 DCBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC([NH2+]C2COC2)C1 ZINC001456512259 1011315824 /nfs/dbraw/zinc/31/58/24/1011315824.db2.gz IORSZYKHLYYYMN-UHFFFAOYSA-N 1 1 307.306 0.173 20 5 DCBDMO CC(C)(O)[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001460753636 1012963130 /nfs/dbraw/zinc/96/31/30/1012963130.db2.gz YMCDLOQMSSNWJM-YPMHNXCESA-N 1 1 312.370 0.635 20 5 DCBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)C(N)=O ZINC000295599955 529961089 /nfs/dbraw/zinc/96/10/89/529961089.db2.gz CEUZYLBBYBVXLR-JTQLQIEISA-N 1 1 311.338 0.530 20 5 DCBDMO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@]2(CCOC2)O1 ZINC000280320227 215537603 /nfs/dbraw/zinc/53/76/03/215537603.db2.gz GYQSRZWLJLYJNL-SWLSCSKDSA-N 1 1 323.349 0.636 20 5 DCBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@]2(CCOC2)O1 ZINC000280320227 215537607 /nfs/dbraw/zinc/53/76/07/215537607.db2.gz GYQSRZWLJLYJNL-SWLSCSKDSA-N 1 1 323.349 0.636 20 5 DCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000264803877 204169267 /nfs/dbraw/zinc/16/92/67/204169267.db2.gz ZCUBRUPYPQIGMW-ZDUSSCGKSA-N 1 1 322.365 0.336 20 5 DCBDMO COCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(N)=O ZINC000106312887 194196156 /nfs/dbraw/zinc/19/61/56/194196156.db2.gz JFLFWPQDAPKCJQ-NSHDSACASA-N 1 1 311.338 0.796 20 5 DCBDMO COCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(N)=O ZINC000106312887 194196157 /nfs/dbraw/zinc/19/61/57/194196157.db2.gz JFLFWPQDAPKCJQ-NSHDSACASA-N 1 1 311.338 0.796 20 5 DCBDMO C[N@@H+]1CCC[C@]2(CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339440985 253085093 /nfs/dbraw/zinc/08/50/93/253085093.db2.gz RXODBNFEBHVJSN-CABCVRRESA-N 1 1 323.397 0.570 20 5 DCBDMO C[N@H+]1CCC[C@]2(CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339440985 253085096 /nfs/dbraw/zinc/08/50/96/253085096.db2.gz RXODBNFEBHVJSN-CABCVRRESA-N 1 1 323.397 0.570 20 5 DCBDMO CN1CCC[C@]2(CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339440985 253085097 /nfs/dbraw/zinc/08/50/97/253085097.db2.gz RXODBNFEBHVJSN-CABCVRRESA-N 1 1 323.397 0.570 20 5 DCBDMO CN1CCC[C@]2(CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339440985 253085100 /nfs/dbraw/zinc/08/51/00/253085100.db2.gz RXODBNFEBHVJSN-CABCVRRESA-N 1 1 323.397 0.570 20 5 DCBDMO Cc1cccc(NCCNC(=O)Cn2cnc([N+](=O)[O-])n2)[nH+]1 ZINC000346236743 254026442 /nfs/dbraw/zinc/02/64/42/254026442.db2.gz YDTJZZPDWKOREB-UHFFFAOYSA-N 1 1 305.298 0.118 20 5 DCBDMO C[N@H+]1CC[C@@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000347025247 254122705 /nfs/dbraw/zinc/12/27/05/254122705.db2.gz OUTHVXQOLJSVOK-GFCCVEGCSA-N 1 1 313.379 0.761 20 5 DCBDMO CN(C(=O)C[N@@H+]1[C@@H](CO)CC[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000347290687 254145522 /nfs/dbraw/zinc/14/55/22/254145522.db2.gz AKYVLENFVHSWFB-OKILXGFUSA-N 1 1 323.349 0.375 20 5 DCBDMO CN(C(=O)C[N@H+]1[C@@H](CO)CC[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000347290687 254145524 /nfs/dbraw/zinc/14/55/24/254145524.db2.gz AKYVLENFVHSWFB-OKILXGFUSA-N 1 1 323.349 0.375 20 5 DCBDMO C[C@@H](O)C[N@@H+](CCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000289361027 131377627 /nfs/dbraw/zinc/37/76/27/131377627.db2.gz AHCWOJIOIVIEDD-VXGBXAGGSA-N 1 1 314.338 0.010 20 5 DCBDMO CC(C)[N@@H+](C)CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000101955229 395767942 /nfs/dbraw/zinc/76/79/42/395767942.db2.gz KEMRWVRHPIKFQQ-UHFFFAOYSA-N 1 1 322.365 0.781 20 5 DCBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000119060481 395867210 /nfs/dbraw/zinc/86/72/10/395867210.db2.gz INRVZSRHKOTCMM-GFCCVEGCSA-N 1 1 305.342 0.795 20 5 DCBDMO Cc1c(NC(=O)CC[N@H+]2C[C@H](O)C[C@H]2CO)cccc1[N+](=O)[O-] ZINC000245653747 395933197 /nfs/dbraw/zinc/93/31/97/395933197.db2.gz CXIZTZPXYIWEPS-NWDGAFQWSA-N 1 1 323.349 0.659 20 5 DCBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](CCO)CC1 ZINC000057570903 395945586 /nfs/dbraw/zinc/94/55/86/395945586.db2.gz JUHHVYQIMDSQGV-LBPRGKRZSA-N 1 1 322.365 0.532 20 5 DCBDMO CC(C)OC(=O)[C@H](C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246460367 395950421 /nfs/dbraw/zinc/95/04/21/395950421.db2.gz MCFPOJVEKZKSLS-CMPLNLGQSA-N 1 1 314.342 0.424 20 5 DCBDMO CC(C)OC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246460367 395950424 /nfs/dbraw/zinc/95/04/24/395950424.db2.gz MCFPOJVEKZKSLS-CMPLNLGQSA-N 1 1 314.342 0.424 20 5 DCBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000246871161 395959363 /nfs/dbraw/zinc/95/93/63/395959363.db2.gz UQDSPPHFWITJOM-AAEUAGOBSA-N 1 1 307.354 0.734 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000248335020 395984119 /nfs/dbraw/zinc/98/41/19/395984119.db2.gz GJXIXYZNWXHJFI-JSGCOSHPSA-N 1 1 309.370 0.322 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCN3CCCC[C@H]3C2)c1 ZINC000248335020 395984125 /nfs/dbraw/zinc/98/41/25/395984125.db2.gz GJXIXYZNWXHJFI-JSGCOSHPSA-N 1 1 309.370 0.322 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCN3CCCC[C@H]3C2)c1 ZINC000248335020 395984127 /nfs/dbraw/zinc/98/41/27/395984127.db2.gz GJXIXYZNWXHJFI-JSGCOSHPSA-N 1 1 309.370 0.322 20 5 DCBDMO CC(C)[NH+]1CC(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000276444125 395997726 /nfs/dbraw/zinc/99/77/26/395997726.db2.gz AVULORHUBLOSSI-UHFFFAOYSA-N 1 1 320.349 0.533 20 5 DCBDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2c2ccc([N+](=O)[O-])cn2)CC1 ZINC000067710777 396031999 /nfs/dbraw/zinc/03/19/99/396031999.db2.gz MBILMDMTSAWIHJ-ZDUSSCGKSA-N 1 1 319.365 0.733 20 5 DCBDMO C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000157909703 396064363 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CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184736004 396303864 /nfs/dbraw/zinc/30/38/64/396303864.db2.gz KGJJLJSBKCTWRL-GFCCVEGCSA-N 1 1 307.354 0.984 20 5 DCBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1COCCO1 ZINC000595737484 396654601 /nfs/dbraw/zinc/65/46/01/396654601.db2.gz QRYNUPNYXPCLKG-LBPRGKRZSA-N 1 1 309.322 0.541 20 5 DCBDMO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1COCCO1 ZINC000595737484 396654603 /nfs/dbraw/zinc/65/46/03/396654603.db2.gz QRYNUPNYXPCLKG-LBPRGKRZSA-N 1 1 309.322 0.541 20 5 DCBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000584776320 396623253 /nfs/dbraw/zinc/62/32/53/396623253.db2.gz VDWWXWGTNZXJFC-GFCCVEGCSA-N 1 1 318.337 0.454 20 5 DCBDMO O=C(Cn1cc([N+](=O)[O-])cn1)NCc1c[nH+]c2n1CCCC2 ZINC000375294783 396725009 /nfs/dbraw/zinc/72/50/09/396725009.db2.gz ZDYPYCOKPGFPCE-UHFFFAOYSA-N 1 1 304.310 0.641 20 5 DCBDMO NC(=O)C[C@H]1COCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000590765560 396837533 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309.370 0.680 20 5 DCBDMO NC(=O)c1ccc(N2CCC[N@@H+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000171506891 416040241 /nfs/dbraw/zinc/04/02/41/416040241.db2.gz LWANKYCLSKXMDI-UHFFFAOYSA-N 1 1 308.338 0.198 20 5 DCBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000301813627 416094097 /nfs/dbraw/zinc/09/40/97/416094097.db2.gz HZELPLCLVUUJGI-CYBMUJFWSA-N 1 1 319.365 0.908 20 5 DCBDMO Cc1ccc(NCCCNC(=O)c2cc([N+](=O)[O-])nn2C)[nH+]c1 ZINC000360747692 416407453 /nfs/dbraw/zinc/40/74/53/416407453.db2.gz SUEJXFNQSCPHHA-UHFFFAOYSA-N 1 1 318.337 1.264 20 5 DCBDMO COc1ccc(NC(=O)C(=O)NCC[NH+]2CCC2)cc1[N+](=O)[O-] ZINC000360765943 416409310 /nfs/dbraw/zinc/40/93/10/416409310.db2.gz BDHJOJPONKJMSC-UHFFFAOYSA-N 1 1 322.321 0.364 20 5 DCBDMO COc1cc(C[NH2+]C[C@H](C)S(C)(=O)=O)c([N+](=O)[O-])cc1O ZINC000533130270 416478442 /nfs/dbraw/zinc/47/84/42/416478442.db2.gz AIIQAGYCZNDLFA-QMMMGPOBSA-N 1 1 318.351 0.832 20 5 DCBDMO C[C@@H](CO)[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CCC1 ZINC000361500586 416441383 /nfs/dbraw/zinc/44/13/83/416441383.db2.gz GTDDBHCUXFTVKX-FZMZJTMJSA-N 1 1 312.370 0.635 20 5 DCBDMO CC[N@@H+]1CCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000594357507 416559973 /nfs/dbraw/zinc/55/99/73/416559973.db2.gz GREOQBGSOVSJNI-JTQLQIEISA-N 1 1 307.354 1.198 20 5 DCBDMO CC[N@H+]1CCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000594357507 416559978 /nfs/dbraw/zinc/55/99/78/416559978.db2.gz GREOQBGSOVSJNI-JTQLQIEISA-N 1 1 307.354 1.198 20 5 DCBDMO CNc1nccc(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000594368822 416560436 /nfs/dbraw/zinc/56/04/36/416560436.db2.gz PNTDBQXJCAWRKP-LLVKDONJSA-N 1 1 321.381 1.493 20 5 DCBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000545170997 416665209 /nfs/dbraw/zinc/66/52/09/416665209.db2.gz GBIAZRBORUFTMK-CQSZACIVSA-N 1 1 323.305 0.120 20 5 DCBDMO CN(C)c1[nH+]cc(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])n1C ZINC000553461107 416705069 /nfs/dbraw/zinc/70/50/69/416705069.db2.gz HOBGWSWYSXDKNC-UHFFFAOYSA-N 1 1 319.325 0.302 20 5 DCBDMO CC1(C)CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000614894293 416720792 /nfs/dbraw/zinc/72/07/92/416720792.db2.gz AAHAPBMKDMTJBV-UHFFFAOYSA-N 1 1 322.365 0.706 20 5 DCBDMO CC1(C)CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000614894293 416720794 /nfs/dbraw/zinc/72/07/94/416720794.db2.gz AAHAPBMKDMTJBV-UHFFFAOYSA-N 1 1 322.365 0.706 20 5 DCBDMO O=C(CC[N@@H+]1CC[C@@H](CO)[C@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000558166777 416763372 /nfs/dbraw/zinc/76/33/72/416763372.db2.gz VNSDCNWQQURGIR-SMDDNHRTSA-N 1 1 323.349 0.599 20 5 DCBDMO O=C(CC[N@@H+]1CC[C@H](CO)[C@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000558166774 416764184 /nfs/dbraw/zinc/76/41/84/416764184.db2.gz VNSDCNWQQURGIR-BXUZGUMPSA-N 1 1 323.349 0.599 20 5 DCBDMO CCC[C@@]1(CO)CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000444771151 416868154 /nfs/dbraw/zinc/86/81/54/416868154.db2.gz IESQXTFIBVANRA-KGLIPLIRSA-N 1 1 312.370 0.779 20 5 DCBDMO CNc1nccc(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000569939009 417304767 /nfs/dbraw/zinc/30/47/67/417304767.db2.gz GSZPUJBSOFUILO-NSHDSACASA-N 1 1 321.381 1.445 20 5 DCBDMO C[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@H+](C2CC2)C1 ZINC000452171012 417458137 /nfs/dbraw/zinc/45/81/37/417458137.db2.gz NMYMIOYCKYRCDX-NSHDSACASA-N 1 1 307.354 0.734 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCOC[C@@H]2C2CCC2)c1 ZINC000575800212 417550804 /nfs/dbraw/zinc/55/08/04/417550804.db2.gz HBOACBUOZRXJFH-UONOGXRCSA-N 1 1 310.354 0.653 20 5 DCBDMO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000298131655 228371716 /nfs/dbraw/zinc/37/17/16/228371716.db2.gz BMEZUZACIVTMBS-GFCCVEGCSA-N 1 1 323.349 0.877 20 5 DCBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304338322 261173868 /nfs/dbraw/zinc/17/38/68/261173868.db2.gz XPLBSDDBVGCSFJ-RDBSUJKOSA-N 1 1 312.370 0.778 20 5 DCBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356469624 261427788 /nfs/dbraw/zinc/42/77/88/261427788.db2.gz UYGZVUSJEXJMKD-SECBINFHSA-N 1 1 306.326 0.899 20 5 DCBDMO CO[C@@H]1COC[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000459836496 272014394 /nfs/dbraw/zinc/01/43/94/272014394.db2.gz YYTQTGKZUMRQCA-QWHCGFSZSA-N 1 1 309.322 0.561 20 5 DCBDMO CC[NH+]1CCN(CCCCNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000548741717 288172619 /nfs/dbraw/zinc/17/26/19/288172619.db2.gz OYELUVNIHKGPDE-UHFFFAOYSA-N 1 1 324.385 0.465 20 5 DCBDMO C[C@@H]1C[NH2+]CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000193355585 288319577 /nfs/dbraw/zinc/31/95/77/288319577.db2.gz KIHKLPHJBQPPST-MRVPVSSYSA-N 1 1 303.315 0.716 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N(CCO)CC[NH2+]CC1=CCCCC1 ZINC001569932975 1161329759 /nfs/dbraw/zinc/32/97/59/1161329759.db2.gz JPIABUYUTGBHAF-ZIAGYGMSSA-N 1 1 311.382 0.563 20 5 DCBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](CO)c1ccccc1 ZINC000266524036 523024129 /nfs/dbraw/zinc/02/41/29/523024129.db2.gz JVRVUVCOVYRQGU-CABCVRRESA-N 1 1 320.349 0.818 20 5 DCBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000161410140 524558977 /nfs/dbraw/zinc/55/89/77/524558977.db2.gz MALFJCVRCFPHRP-AAEUAGOBSA-N 1 1 324.385 0.773 20 5 DCBDMO C[C@@H](O)C[NH+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000189361872 525795785 /nfs/dbraw/zinc/79/57/85/525795785.db2.gz ALQBNBYMAJSJTA-GFCCVEGCSA-N 1 1 322.365 0.532 20 5 DCBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NCC[N@H+]1CCCOCC1 ZINC000189459461 527271023 /nfs/dbraw/zinc/27/10/23/527271023.db2.gz ODTIRVONMFUPIL-UHFFFAOYSA-N 1 1 307.350 0.976 20 5 DCBDMO C[N@H+]1CCC[C@H]1CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821625438 606702833 /nfs/dbraw/zinc/70/28/33/606702833.db2.gz NSJJIIJKSAQRAJ-QMMMGPOBSA-N 1 1 304.314 0.676 20 5 DCBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[N@@H+](CCO)CC1 ZINC000131570754 665427396 /nfs/dbraw/zinc/42/73/96/665427396.db2.gz YLLIOGVQAXNXST-UHFFFAOYSA-N 1 1 322.365 0.459 20 5 DCBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])C1 ZINC000933798453 657811737 /nfs/dbraw/zinc/81/17/37/657811737.db2.gz PHTMRANVBFNWRB-LBPRGKRZSA-N 1 1 309.370 0.900 20 5 DCBDMO CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC000949365829 657819401 /nfs/dbraw/zinc/81/94/01/657819401.db2.gz IKFUJLHCKJEVNR-CHWSQXEVSA-N 1 1 311.382 0.755 20 5 DCBDMO CCC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC000949365829 657819408 /nfs/dbraw/zinc/81/94/08/657819408.db2.gz IKFUJLHCKJEVNR-CHWSQXEVSA-N 1 1 311.382 0.755 20 5 DCBDMO CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC000949365829 657819414 /nfs/dbraw/zinc/81/94/14/657819414.db2.gz IKFUJLHCKJEVNR-CHWSQXEVSA-N 1 1 311.382 0.755 20 5 DCBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1ncn[nH]1 ZINC001020782741 658462330 /nfs/dbraw/zinc/46/23/30/658462330.db2.gz YSAKLHSFYNKKRX-XYPYZODXSA-N 1 1 316.321 0.764 20 5 DCBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1nc[nH]n1 ZINC001020782741 658462332 /nfs/dbraw/zinc/46/23/32/658462332.db2.gz YSAKLHSFYNKKRX-XYPYZODXSA-N 1 1 316.321 0.764 20 5 DCBDMO C[N@H+]1C[C@H](O)C[C@H]1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000924993847 661846508 /nfs/dbraw/zinc/84/65/08/661846508.db2.gz WNGNVZATNAWTNU-WREBYIDWSA-N 1 1 305.334 0.789 20 5 DCBDMO CC(C)(CCC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO)[N+](=O)[O-] ZINC000889751733 662031951 /nfs/dbraw/zinc/03/19/51/662031951.db2.gz RYFGEPAKMUAIPO-QWHCGFSZSA-N 1 1 313.398 0.880 20 5 DCBDMO C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCN1C ZINC000896556071 662290159 /nfs/dbraw/zinc/29/01/59/662290159.db2.gz NZGFRICXEJZCJZ-IINYFYTJSA-N 1 1 322.365 0.665 20 5 DCBDMO Cc1cc(CN2CC=C(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)on1 ZINC001000669741 665913372 /nfs/dbraw/zinc/91/33/72/665913372.db2.gz LVBPOSICDWZJPR-ZIAGYGMSSA-N 1 1 320.349 0.897 20 5 DCBDMO CN(CC[N@@H+](C)CCO)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000912609934 664194854 /nfs/dbraw/zinc/19/48/54/664194854.db2.gz TZOAWDJKOVRPIN-UHFFFAOYSA-N 1 1 311.338 0.356 20 5 DCBDMO C[N@@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000912746195 664219931 /nfs/dbraw/zinc/21/99/31/664219931.db2.gz CVBODIUGVJNRLB-LLVKDONJSA-N 1 1 308.338 0.142 20 5 DCBDMO C[N@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000912746195 664219933 /nfs/dbraw/zinc/21/99/33/664219933.db2.gz CVBODIUGVJNRLB-LLVKDONJSA-N 1 1 308.338 0.142 20 5 DCBDMO Cn1cncc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000997769497 665335847 /nfs/dbraw/zinc/33/58/47/665335847.db2.gz PLRMEFZEUSKNIP-ZIAGYGMSSA-N 1 1 321.381 0.414 20 5 DCBDMO CCn1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000996429918 666791007 /nfs/dbraw/zinc/79/10/07/666791007.db2.gz WVMVZZKTWBXICD-CHWSQXEVSA-N 1 1 322.369 0.044 20 5 DCBDMO Cn1c(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000747232055 667898307 /nfs/dbraw/zinc/89/83/07/667898307.db2.gz QBIUBCDSESKHCG-QWRGUYRKSA-N 1 1 308.338 0.526 20 5 DCBDMO C[N@H+]1C[C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C[C@]2(C)C1 ZINC000887934687 667932999 /nfs/dbraw/zinc/93/29/99/667932999.db2.gz QUPBNXJGIURNNU-ABAIWWIYSA-N 1 1 320.349 0.167 20 5 DCBDMO C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839608636 668122162 /nfs/dbraw/zinc/12/21/62/668122162.db2.gz VTUGKUHZSIXPRT-CHWSQXEVSA-N 1 1 307.350 0.908 20 5 DCBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000758124588 668157263 /nfs/dbraw/zinc/15/72/63/668157263.db2.gz OWDFOXPEXSOIPE-JTQLQIEISA-N 1 1 305.338 0.786 20 5 DCBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000874842404 668226519 /nfs/dbraw/zinc/22/65/19/668226519.db2.gz GUODPQODDJGOLR-OLZOCXBDSA-N 1 1 307.354 0.877 20 5 DCBDMO O=C(NCC[NH+]1CCC1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000782018055 669075217 /nfs/dbraw/zinc/07/52/17/669075217.db2.gz HRCYWZXLXQWWDR-CQSZACIVSA-N 1 1 318.333 0.910 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000930942117 669109022 /nfs/dbraw/zinc/10/90/22/669109022.db2.gz DFBZYGOAQXVNGQ-LBPRGKRZSA-N 1 1 309.370 0.946 20 5 DCBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782602321 669110136 /nfs/dbraw/zinc/11/01/36/669110136.db2.gz BTJGHDMGEJKCMN-JMSVASOKSA-N 1 1 308.334 0.649 20 5 DCBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)c1 ZINC000880582131 669242607 /nfs/dbraw/zinc/24/26/07/669242607.db2.gz KPEGVGQGCPNWDJ-CYBMUJFWSA-N 1 1 310.354 0.655 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000935399289 669717450 /nfs/dbraw/zinc/71/74/50/669717450.db2.gz IOWJJDRKUKTFNN-FMKPAKJESA-N 1 1 319.361 0.881 20 5 DCBDMO CON(C)C(=O)CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000799139778 670043813 /nfs/dbraw/zinc/04/38/13/670043813.db2.gz WCRLOHCSOZZNCQ-LLVKDONJSA-N 1 1 323.353 0.886 20 5 DCBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCC[NH+]1CCC1 ZINC000800619746 670096203 /nfs/dbraw/zinc/09/62/03/670096203.db2.gz VBLOVAFJHBXFSS-UHFFFAOYSA-N 1 1 324.312 0.803 20 5 DCBDMO COCC(COC)[NH+]1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000840356927 671000236 /nfs/dbraw/zinc/00/02/36/671000236.db2.gz DVBORUPYGOGXKF-UHFFFAOYSA-N 1 1 324.381 0.960 20 5 DCBDMO Cn1ncc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000819308536 671110708 /nfs/dbraw/zinc/11/07/08/671110708.db2.gz AIFIKXNDGFTYIL-LLVKDONJSA-N 1 1 307.310 0.253 20 5 DCBDMO Cc1nn(CN2CC[NH+]([C@@H]3CCOC3)CC2)c(C)c1[N+](=O)[O-] ZINC000853551077 671243026 /nfs/dbraw/zinc/24/30/26/671243026.db2.gz RVKZCLQFDSCNGF-CYBMUJFWSA-N 1 1 309.370 0.772 20 5 DCBDMO COCC[N@H+]1CC[C@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825763668 671471519 /nfs/dbraw/zinc/47/15/19/671471519.db2.gz AQTZKBUKWCMVBM-JSGCOSHPSA-N 1 1 323.349 0.465 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827278653 671521200 /nfs/dbraw/zinc/52/12/00/671521200.db2.gz XPSISBSLAUWGLJ-KOLCDFICSA-N 1 1 306.322 0.862 20 5 DCBDMO Cc1nn(CN2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cc1[N+](=O)[O-] ZINC000902641708 685458184 /nfs/dbraw/zinc/45/81/84/685458184.db2.gz AEUWMLYTQCWFGK-CHWSQXEVSA-N 1 1 309.370 0.588 20 5 DCBDMO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC001020138782 693709689 /nfs/dbraw/zinc/70/96/89/693709689.db2.gz AFGIOAZLXZPLKP-FDYHWXHSSA-N 1 1 320.349 0.492 20 5 DCBDMO Cc1nn(C)cc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020138846 693709801 /nfs/dbraw/zinc/70/98/01/693709801.db2.gz DOIBRJNSDHLYTJ-FDYHWXHSSA-N 1 1 307.354 0.131 20 5 DCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](CCn1cccn1)C2 ZINC001072725593 694657257 /nfs/dbraw/zinc/65/72/57/694657257.db2.gz PZHNLKTYIAKASH-CHWSQXEVSA-N 1 1 319.365 0.083 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CCn1cccn1)C2 ZINC001072725593 694657258 /nfs/dbraw/zinc/65/72/58/694657258.db2.gz PZHNLKTYIAKASH-CHWSQXEVSA-N 1 1 319.365 0.083 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](CCn1cccn1)C2 ZINC001072725593 694657259 /nfs/dbraw/zinc/65/72/59/694657259.db2.gz PZHNLKTYIAKASH-CHWSQXEVSA-N 1 1 319.365 0.083 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC001620503203 1165089245 /nfs/dbraw/zinc/08/92/45/1165089245.db2.gz CQVMMPMOMLGPAS-KGLIPLIRSA-N 1 1 323.349 0.659 20 5 DCBDMO Cc1c(CN[C@H]2CC(=O)N(C3C[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC001579534296 1165340365 /nfs/dbraw/zinc/34/03/65/1165340365.db2.gz DIJAQNYNFIEIOP-LBPRGKRZSA-N 1 1 304.350 0.566 20 5 DCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H](O)C1 ZINC001593467420 1167859299 /nfs/dbraw/zinc/85/92/99/1167859299.db2.gz QDFCKOPRGYRZRF-LLVKDONJSA-N 1 1 304.310 0.732 20 5 DCBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CC[C@@H](O)C2)c(-c2nn[nH]n2)c1 ZINC001593477917 1167864019 /nfs/dbraw/zinc/86/40/19/1167864019.db2.gz JPVDCWMJYNUCOI-SNVBAGLBSA-N 1 1 319.325 0.253 20 5 DCBDMO O=c1cc([C@@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)[nH]c(=O)[nH]1 ZINC001619396677 1171401196 /nfs/dbraw/zinc/40/11/96/1171401196.db2.gz OHKJCHYEMRYIBH-SECBINFHSA-N 1 1 320.309 0.482 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2C(=O)NCC2(C)C)c1 ZINC001620547306 1171404439 /nfs/dbraw/zinc/40/44/39/1171404439.db2.gz LSYGQZMUMMPRED-GFCCVEGCSA-N 1 1 321.333 0.996 20 5 DCBDMO C[N@H+]1CCC[C@@H](CCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001629540941 1171552652 /nfs/dbraw/zinc/55/26/52/1171552652.db2.gz ATSZIMNBFNQHFY-LBPRGKRZSA-N 1 1 322.365 0.605 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001636885131 1171752319 /nfs/dbraw/zinc/75/23/19/1171752319.db2.gz ULHXNGZXAFGDEB-RYUDHWBXSA-N 1 1 308.338 0.594 20 5 DCBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001642842996 1171958679 /nfs/dbraw/zinc/95/86/79/1171958679.db2.gz LKYFEAOZVXGXCM-GFCCVEGCSA-N 1 1 316.321 0.359 20 5 DCBDMO COC(=O)[C@]1(O)CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001644291447 1172001780 /nfs/dbraw/zinc/00/17/80/1172001780.db2.gz HDASIFONVOXIEP-OCCSQVGLSA-N 1 1 310.306 0.238 20 5 DCBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001645775036 1172134667 /nfs/dbraw/zinc/13/46/67/1172134667.db2.gz XIPIYIRUMFTSJU-UHFFFAOYSA-N 1 1 310.285 0.129 20 5 DCBDMO COCC[N@H+](CCC(=O)OC)CCn1ccc([N+](=O)[O-])n1 ZINC001652476133 1173770050 /nfs/dbraw/zinc/77/00/50/1173770050.db2.gz JLWUQRNKMOQBBC-UHFFFAOYSA-N 1 1 300.315 0.303 20 5 DCBDMO C[C@]1(CO)C[C@H](O)C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001654291530 1173804044 /nfs/dbraw/zinc/80/40/44/1173804044.db2.gz VUNNSVHJYLXTKQ-XHDPSFHLSA-N 1 1 323.349 0.741 20 5 DCBDMO O=C(CC[N@H+]1C[C@H](O)[C@@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC001654688400 1173808752 /nfs/dbraw/zinc/80/87/52/1173808752.db2.gz UUTVDLGQRGSAHC-MFKMUULPSA-N 1 1 309.322 0.208 20 5 DCBDMO O=C(CC[N@@H+]1C[C@H](CO)[C@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC001654688401 1173809822 /nfs/dbraw/zinc/80/98/22/1173809822.db2.gz UUTVDLGQRGSAHC-ZWNOBZJWSA-N 1 1 309.322 0.208 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](CCO)CC2)c1 ZINC001654767413 1173810578 /nfs/dbraw/zinc/81/05/78/1173810578.db2.gz QVUBTSNPAWJDLC-JSGCOSHPSA-N 1 1 312.370 0.637 20 5 DCBDMO Cn1ncc([N+](=O)[O-])c1N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001655303394 1173817569 /nfs/dbraw/zinc/81/75/69/1173817569.db2.gz JNYGZNDORHTRHI-NSHDSACASA-N 1 1 322.369 0.247 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC001655483253 1173821059 /nfs/dbraw/zinc/82/10/59/1173821059.db2.gz PMAQHMLMPJPIKZ-CYBMUJFWSA-N 1 1 320.349 0.956 20 5 DCBDMO COC(=O)[C@H](O)C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC001657864614 1173917684 /nfs/dbraw/zinc/91/76/84/1173917684.db2.gz HKGPWVLIRGYZOO-GFCCVEGCSA-N 1 1 309.322 0.736 20 5 DCBDMO CNC(=O)N[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001658177283 1173920495 /nfs/dbraw/zinc/92/04/95/1173920495.db2.gz XADXWKBIHJDISA-DGCLKSJQSA-N 1 1 308.338 0.632 20 5 DCBDMO CNC(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001658177283 1173920499 /nfs/dbraw/zinc/92/04/99/1173920499.db2.gz XADXWKBIHJDISA-DGCLKSJQSA-N 1 1 308.338 0.632 20 5 DCBDMO COc1c(O)ccc(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)c1[N+](=O)[O-] ZINC001665289668 1174501612 /nfs/dbraw/zinc/50/16/12/1174501612.db2.gz IPPZKDLPRODJPA-IINYFYTJSA-N 1 1 312.322 0.627 20 5 DCBDMO COc1c(O)ccc(C[N@H+]2C[C@@H](O)C[C@]2(C)CO)c1[N+](=O)[O-] ZINC001665289668 1174501619 /nfs/dbraw/zinc/50/16/19/1174501619.db2.gz IPPZKDLPRODJPA-IINYFYTJSA-N 1 1 312.322 0.627 20 5 DCBDMO O=C(NCC1([NH2+]CCn2cccn2)CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001666759925 1174635011 /nfs/dbraw/zinc/63/50/11/1174635011.db2.gz OXERWLXTIIPTLQ-CHWSQXEVSA-N 1 1 321.381 0.567 20 5 DCBDMO Cc1nn(C)cc1C[NH2+]CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001670090838 1174980276 /nfs/dbraw/zinc/98/02/76/1174980276.db2.gz NWOZQWMDDTUNKQ-CHWSQXEVSA-N 1 1 309.370 0.332 20 5 DCBDMO COCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001731562140 1185389025 /nfs/dbraw/zinc/38/90/25/1185389025.db2.gz VAPBSDNGBHAXSK-JYAVWHMHSA-N 1 1 305.334 0.788 20 5 DCBDMO CC(C)[N@@H+](CCCNC(=O)C(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC001732013827 1185635231 /nfs/dbraw/zinc/63/52/31/1185635231.db2.gz PWGGCZDTRABRKX-UHFFFAOYSA-N 1 1 322.365 0.797 20 5 DCBDMO CCOCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001733686119 1186399302 /nfs/dbraw/zinc/39/93/02/1186399302.db2.gz RNBHPABJAUPYIM-AAVRWANBSA-N 1 1 313.398 0.953 20 5 DCBDMO C[N@H+]1CCO[C@H]2CN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])C[C@H]21 ZINC001164671898 719397149 /nfs/dbraw/zinc/39/71/49/719397149.db2.gz ZJQJOOLKTUDQGS-ZJUUUORDSA-N 1 1 314.729 0.401 20 5 DCBDMO O=[N+]([O-])c1cc[n+]([O-])c(N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC001165037932 721901098 /nfs/dbraw/zinc/90/10/98/721901098.db2.gz OIIJQPACLLPOID-CYBMUJFWSA-N 1 1 308.338 0.529 20 5 DCBDMO CCCCc1noc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001126936495 750149942 /nfs/dbraw/zinc/14/99/42/750149942.db2.gz LMTBYBJLRBYXQV-NXEZZACHSA-N 1 1 311.342 0.283 20 5 DCBDMO Cc1cccc(OCC[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001126942650 750154731 /nfs/dbraw/zinc/15/47/31/750154731.db2.gz DFZFIJULOUETEA-ZIAGYGMSSA-N 1 1 307.350 0.745 20 5 DCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]2C1 ZINC001048812560 754955188 /nfs/dbraw/zinc/95/51/88/754955188.db2.gz KXVXPOKQOMPTPN-LXTVHRRPSA-N 1 1 323.393 0.468 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2C1 ZINC001048812560 754955191 /nfs/dbraw/zinc/95/51/91/754955191.db2.gz KXVXPOKQOMPTPN-LXTVHRRPSA-N 1 1 323.393 0.468 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]2C1 ZINC001048812560 754955195 /nfs/dbraw/zinc/95/51/95/754955195.db2.gz KXVXPOKQOMPTPN-LXTVHRRPSA-N 1 1 323.393 0.468 20 5 DCBDMO Cc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)ncn1 ZINC001086084395 759694775 /nfs/dbraw/zinc/69/47/75/759694775.db2.gz PBDOXJWWQWUNNV-ZMJPVWNMSA-N 1 1 319.365 0.435 20 5 DCBDMO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046276 760561827 /nfs/dbraw/zinc/56/18/27/760561827.db2.gz KFIWAKAPYSHGTL-WOPDTQHZSA-N 1 1 313.354 0.185 20 5 DCBDMO COC(=O)[C@@H]1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1C(C)=O ZINC001169054883 760564658 /nfs/dbraw/zinc/56/46/58/760564658.db2.gz NZKHDKGUSSDEMH-AVGNSLFASA-N 1 1 313.354 0.138 20 5 DCBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCC(=O)N2CC[NH+](C)CC2)c1 ZINC001124074026 768118136 /nfs/dbraw/zinc/11/81/36/768118136.db2.gz XRLPSWSPOXXDQL-UHFFFAOYSA-N 1 1 320.349 0.407 20 5 DCBDMO CC(C)[N@@H+](C)CC(=O)NCCN(C)c1ncccc1[N+](=O)[O-] ZINC001100149827 763354583 /nfs/dbraw/zinc/35/45/83/763354583.db2.gz RMOJJVQKKQWWIG-UHFFFAOYSA-N 1 1 309.370 0.882 20 5 DCBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC001133923970 765233279 /nfs/dbraw/zinc/23/32/79/765233279.db2.gz YGKWNGWNHGTVCZ-NSHDSACASA-N 1 1 316.321 0.609 20 5 DCBDMO C[N@H+]1CC[C@H]1CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC001133923970 765233286 /nfs/dbraw/zinc/23/32/86/765233286.db2.gz YGKWNGWNHGTVCZ-NSHDSACASA-N 1 1 316.321 0.609 20 5 DCBDMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001136668797 766420683 /nfs/dbraw/zinc/42/06/83/766420683.db2.gz CAJYIVKOQXGBAD-SWLSCSKDSA-N 1 1 323.349 0.545 20 5 DCBDMO C[N@H+]1CCCC[C@@H](CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001118947050 766481412 /nfs/dbraw/zinc/48/14/12/766481412.db2.gz MWYSNYPEICVWEW-LBPRGKRZSA-N 1 1 322.365 0.605 20 5 DCBDMO O=C(NCCC[N@H+](CCO)Cc1cccnc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001230763440 768838179 /nfs/dbraw/zinc/83/81/79/768838179.db2.gz ZJNVSGMWQOCYKP-ZIAGYGMSSA-N 1 1 322.365 0.047 20 5 DCBDMO O=C(NCCC[N@@H+](CCO)Cc1cccnc1)[C@@H]1CC1[N+](=O)[O-] ZINC001230763440 768838190 /nfs/dbraw/zinc/83/81/90/768838190.db2.gz ZJNVSGMWQOCYKP-ZIAGYGMSSA-N 1 1 322.365 0.047 20 5 DCBDMO O=C(NCCC[N@H+](CCO)Cc1cccnc1)[C@@H]1CC1[N+](=O)[O-] ZINC001230763440 768838201 /nfs/dbraw/zinc/83/82/01/768838201.db2.gz ZJNVSGMWQOCYKP-ZIAGYGMSSA-N 1 1 322.365 0.047 20 5 DCBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H](CO)Cc1cnc[nH]1 ZINC001152485900 769574217 /nfs/dbraw/zinc/57/42/17/769574217.db2.gz DGFNBWDRTOEVJY-NSHDSACASA-N 1 1 320.305 0.417 20 5 DCBDMO NC(=O)C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC001175783650 769962743 /nfs/dbraw/zinc/96/27/43/769962743.db2.gz WLMJKNDDGSSBFK-UHFFFAOYSA-N 1 1 323.349 0.940 20 5 DCBDMO NC(=O)c1ccc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001157761714 771665207 /nfs/dbraw/zinc/66/52/07/771665207.db2.gz ZCLIWKPTAWYGIY-CHWSQXEVSA-N 1 1 320.349 0.047 20 5 DCBDMO COc1cccc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001157761320 771665379 /nfs/dbraw/zinc/66/53/79/771665379.db2.gz OMGBOUGPJLCNFY-VXGBXAGGSA-N 1 1 308.338 0.351 20 5 DCBDMO Cc1nc(CC[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC001157767046 771665745 /nfs/dbraw/zinc/66/57/45/771665745.db2.gz FKADJKXXMVOLPP-VXGBXAGGSA-N 1 1 312.395 0.755 20 5 DCBDMO CC(C)CCOCC[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157775250 771670523 /nfs/dbraw/zinc/67/05/23/771670523.db2.gz MUFHKFRMSWPPNM-CHWSQXEVSA-N 1 1 301.387 0.810 20 5 DCBDMO CCOC(=O)C1C[NH2+]CCC1=Nc1ncc([N+](=O)[O-])cc1N ZINC001159453764 771912370 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DCBDMO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC001218859441 774316263 /nfs/dbraw/zinc/31/62/63/774316263.db2.gz NFIPCGRXQHXRJS-ABKXIKBNSA-N 1 1 322.372 0.993 20 5 DCBDMO CCCCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266900854 939270921 /nfs/dbraw/zinc/27/09/21/939270921.db2.gz MMZMFYKQFIUHEG-RGDJUOJXSA-N 1 1 311.382 0.515 20 5 DCBDMO CCCCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266900854 939270925 /nfs/dbraw/zinc/27/09/25/939270925.db2.gz MMZMFYKQFIUHEG-RGDJUOJXSA-N 1 1 311.382 0.515 20 5 DCBDMO CCCCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266900854 939270927 /nfs/dbraw/zinc/27/09/27/939270927.db2.gz MMZMFYKQFIUHEG-RGDJUOJXSA-N 1 1 311.382 0.515 20 5 DCBDMO C[N@H+]1CCC[C@@H](CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001319375871 945571633 /nfs/dbraw/zinc/57/16/33/945571633.db2.gz LLMZBBCMVUCXSA-NSHDSACASA-N 1 1 308.338 0.215 20 5 DCBDMO CN(CC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)c1nc[nH]n1 ZINC001320059920 945729950 /nfs/dbraw/zinc/72/99/50/945729950.db2.gz BQTKBUDSJCNZDO-UHFFFAOYSA-N 1 1 318.337 0.917 20 5 DCBDMO CN(CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)c1nc[nH]n1 ZINC001320059920 945729963 /nfs/dbraw/zinc/72/99/63/945729963.db2.gz BQTKBUDSJCNZDO-UHFFFAOYSA-N 1 1 318.337 0.917 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC(F)(F)[C@H](CO)C2)c1 ZINC001324277303 947374486 /nfs/dbraw/zinc/37/44/86/947374486.db2.gz GBCOWXJGPXRKEG-GXSJLCMTSA-N 1 1 320.296 0.102 20 5 DCBDMO Cc1nn(C)c(C(=O)NCC[N@@H+]2CCCOCC2)c1[N+](=O)[O-] ZINC001324347689 947394550 /nfs/dbraw/zinc/39/45/50/947394550.db2.gz DTMDTBHRACPDLW-UHFFFAOYSA-N 1 1 311.342 0.089 20 5 DCBDMO Cc1nn(C)c(C(=O)NCC[N@H+]2CCCOCC2)c1[N+](=O)[O-] ZINC001324347689 947394564 /nfs/dbraw/zinc/39/45/64/947394564.db2.gz DTMDTBHRACPDLW-UHFFFAOYSA-N 1 1 311.342 0.089 20 5 DCBDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331930435 951393917 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DCBDMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001347386540 954083611 /nfs/dbraw/zinc/08/36/11/954083611.db2.gz YQRPSXRCRRARKF-SWLSCSKDSA-N 1 1 318.377 0.642 20 5 DCBDMO CC[NH+]1CCN(C2CN(C(=O)c3n[nH]c(C)c3[N+](=O)[O-])C2)CC1 ZINC001347431409 954090998 /nfs/dbraw/zinc/09/09/98/954090998.db2.gz AODSTVXIYXNSIR-UHFFFAOYSA-N 1 1 322.369 0.088 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC001348747941 954453847 /nfs/dbraw/zinc/45/38/47/954453847.db2.gz PSOMZRMQRJEXSK-TUAOUCFPSA-N 1 1 320.349 0.213 20 5 DCBDMO C[C@H](c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1C)[N+](=O)[O-] ZINC001350589514 955140408 /nfs/dbraw/zinc/14/04/08/955140408.db2.gz VPYFNRAYDFVSQO-VXGBXAGGSA-N 1 1 324.385 0.454 20 5 DCBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cnc3N)C[C@]2(C)C1 ZINC001304214492 960085116 /nfs/dbraw/zinc/08/51/16/960085116.db2.gz UISBXPLIUOQTGF-OTYXRUKQSA-N 1 1 305.338 0.596 20 5 DCBDMO COc1c(C)[nH]cc(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)c1=O 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JTPHQIMQPOSTMP-ZIAGYGMSSA-N 1 1 310.354 0.797 20 5 DCBDMO Cc1nccnc1C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001479770733 1017729965 /nfs/dbraw/zinc/72/99/65/1017729965.db2.gz QCHHLQISRGQRTI-DGCLKSJQSA-N 1 1 307.354 0.388 20 5 DCBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000318369855 231169151 /nfs/dbraw/zinc/16/91/51/231169151.db2.gz IGEKANKABGISLF-RYUDHWBXSA-N 1 1 305.338 0.929 20 5 DCBDMO C[NH+]1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278779810 214396384 /nfs/dbraw/zinc/39/63/84/214396384.db2.gz VNDMXPGNJQDAFW-UHFFFAOYSA-N 1 1 318.337 0.928 20 5 DCBDMO COC(=O)[C@@]1(C)CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090552371 185302913 /nfs/dbraw/zinc/30/29/13/185302913.db2.gz VQOIQCWUYLVJBI-AWEZNQCLSA-N 1 1 309.322 0.642 20 5 DCBDMO Cc1nn(C)c(C(=O)NCC[NH+]2CCSCC2)c1[N+](=O)[O-] ZINC000330707990 232008853 /nfs/dbraw/zinc/00/88/53/232008853.db2.gz VJYBOPBARIBNON-UHFFFAOYSA-N 1 1 313.383 0.415 20 5 DCBDMO COC(=O)C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000173247149 198200903 /nfs/dbraw/zinc/20/09/03/198200903.db2.gz BYYGISXHUAQCHJ-NSHDSACASA-N 1 1 300.315 0.036 20 5 DCBDMO COC(=O)C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000173247149 198200905 /nfs/dbraw/zinc/20/09/05/198200905.db2.gz BYYGISXHUAQCHJ-NSHDSACASA-N 1 1 300.315 0.036 20 5 DCBDMO C[N@@H+]1CCO[C@@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000174443294 198335637 /nfs/dbraw/zinc/33/56/37/198335637.db2.gz OSZFZMHQOSQESH-CYBMUJFWSA-N 1 1 308.338 0.454 20 5 DCBDMO C[N@H+]1CCO[C@@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000174443294 198335638 /nfs/dbraw/zinc/33/56/38/198335638.db2.gz OSZFZMHQOSQESH-CYBMUJFWSA-N 1 1 308.338 0.454 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000173525447 237161012 /nfs/dbraw/zinc/16/10/12/237161012.db2.gz CXUSNFZFFMWROX-FZMZJTMJSA-N 1 1 310.354 0.653 20 5 DCBDMO CC(C)[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000339814506 253149711 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CCN(C)C(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440491605 416637418 /nfs/dbraw/zinc/63/74/18/416637418.db2.gz SWZIADCDEGECID-LLVKDONJSA-N 1 1 307.354 0.954 20 5 DCBDMO Nc1nccc(C(=O)N2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000548715847 416691595 /nfs/dbraw/zinc/69/15/95/416691595.db2.gz FRYPFQXJGDRHMD-UHFFFAOYSA-N 1 1 305.338 0.740 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000614895549 416722221 /nfs/dbraw/zinc/72/22/21/416722221.db2.gz WFGCLTNWLVHQHR-UHFFFAOYSA-N 1 1 310.354 0.462 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000614895549 416722222 /nfs/dbraw/zinc/72/22/22/416722222.db2.gz WFGCLTNWLVHQHR-UHFFFAOYSA-N 1 1 310.354 0.462 20 5 DCBDMO C[C@@H]1CC(=O)NCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000369441471 416777217 /nfs/dbraw/zinc/77/72/17/416777217.db2.gz ULFKYDQIHLIRFZ-YPMHNXCESA-N 1 1 323.349 0.545 20 5 DCBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445024780 416880632 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CC(C)[N@H+]1CC[C@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000532021084 417653361 /nfs/dbraw/zinc/65/33/61/417653361.db2.gz XSLIFSZMXCUZRS-GFCCVEGCSA-N 1 1 324.385 0.821 20 5 DCBDMO CC(C)Oc1nc(NC[C@]2(O)CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000577528955 417678033 /nfs/dbraw/zinc/67/80/33/417678033.db2.gz KZYAIATXZNOOBA-CQSZACIVSA-N 1 1 310.354 1.256 20 5 DCBDMO CNc1nccc(C(=O)NCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000581616618 417731412 /nfs/dbraw/zinc/73/14/12/417731412.db2.gz SGMXGCKLCLFVTI-UHFFFAOYSA-N 1 1 304.310 0.966 20 5 DCBDMO COC(=O)C1(O)CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271469070 261169173 /nfs/dbraw/zinc/16/91/73/261169173.db2.gz UMQLEBJJQWUJLF-UHFFFAOYSA-N 1 1 324.333 0.974 20 5 DCBDMO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000355585391 261350202 /nfs/dbraw/zinc/35/02/02/261350202.db2.gz PEKGJAXJWUZGQF-LLVKDONJSA-N 1 1 310.306 0.713 20 5 DCBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000355585391 261350203 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0.663 20 5 DCBDMO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[N@@H+](CCCO)C2 ZINC000982279000 661331204 /nfs/dbraw/zinc/33/12/04/661331204.db2.gz XAIVSMFUBZIZTJ-GBOPCIDUSA-N 1 1 311.382 0.204 20 5 DCBDMO C[C@]12CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]1(C)C[N@H+](CCCO)C2 ZINC000982279000 661331206 /nfs/dbraw/zinc/33/12/06/661331206.db2.gz XAIVSMFUBZIZTJ-GBOPCIDUSA-N 1 1 311.382 0.204 20 5 DCBDMO C[C@]12CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]1(C)C[N@@H+](CCCO)C2 ZINC000982279000 661331208 /nfs/dbraw/zinc/33/12/08/661331208.db2.gz XAIVSMFUBZIZTJ-GBOPCIDUSA-N 1 1 311.382 0.204 20 5 DCBDMO C[N@H+]1C[C@H](O)C[C@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000924993844 661846406 /nfs/dbraw/zinc/84/64/06/661846406.db2.gz WNGNVZATNAWTNU-QFVHEQCKSA-N 1 1 305.334 0.789 20 5 DCBDMO CCc1nn(C)c(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC000897222326 662405532 /nfs/dbraw/zinc/40/55/32/662405532.db2.gz UFDAVHGFNKLGHE-OLZOCXBDSA-N 1 1 323.397 0.926 20 5 DCBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)[C@@H]1C[N@@H+](C)CCN1C ZINC000900808254 663283019 /nfs/dbraw/zinc/28/30/19/663283019.db2.gz WGVCZFCBAPMTFL-GWCFXTLKSA-N 1 1 309.370 0.297 20 5 DCBDMO C[N@@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H](CO)C1 ZINC000912742824 664218476 /nfs/dbraw/zinc/21/84/76/664218476.db2.gz JARJTEXLYNTMIB-CQSZACIVSA-N 1 1 307.350 0.662 20 5 DCBDMO C[N@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H](CO)C1 ZINC000912742824 664218478 /nfs/dbraw/zinc/21/84/78/664218478.db2.gz JARJTEXLYNTMIB-CQSZACIVSA-N 1 1 307.350 0.662 20 5 DCBDMO O=C(NC1CC[NH+](CCOC2CCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002789947 666220168 /nfs/dbraw/zinc/22/01/68/666220168.db2.gz YFJTVSDZAHRELN-ZIAGYGMSSA-N 1 1 311.382 0.801 20 5 DCBDMO COCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589111 666499735 /nfs/dbraw/zinc/49/97/35/666499735.db2.gz GQHWZTMOMAZKOL-XJFOESAGSA-N 1 1 311.382 0.468 20 5 DCBDMO COCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589111 666499739 /nfs/dbraw/zinc/49/97/39/666499739.db2.gz GQHWZTMOMAZKOL-XJFOESAGSA-N 1 1 311.382 0.468 20 5 DCBDMO COCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589111 666499742 /nfs/dbraw/zinc/49/97/42/666499742.db2.gz GQHWZTMOMAZKOL-XJFOESAGSA-N 1 1 311.382 0.468 20 5 DCBDMO CCc1nocc1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996428791 666790608 /nfs/dbraw/zinc/79/06/08/666790608.db2.gz HLIUPAJIVVJYHK-TZMCWYRMSA-N 1 1 322.365 0.983 20 5 DCBDMO CO[C@@H]1C[N@@H+](C)[C@](C)(COC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000861345408 666919915 /nfs/dbraw/zinc/91/99/15/666919915.db2.gz TZNXCEBKFKRRRJ-GWCFXTLKSA-N 1 1 312.326 0.444 20 5 DCBDMO O=C(CCn1cc([N+](=O)[O-])cn1)O[C@H]1CC[N@H+](CCF)C1 ZINC000788082280 667143183 /nfs/dbraw/zinc/14/31/83/667143183.db2.gz WTTLPLKGATZJDV-NSHDSACASA-N 1 1 300.290 0.768 20 5 DCBDMO O=C(CCn1cc([N+](=O)[O-])cn1)O[C@H]1CC[N@@H+](CCF)C1 ZINC000788082280 667143186 /nfs/dbraw/zinc/14/31/86/667143186.db2.gz WTTLPLKGATZJDV-NSHDSACASA-N 1 1 300.290 0.768 20 5 DCBDMO CCn1ncc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000863563858 667157890 /nfs/dbraw/zinc/15/78/90/667157890.db2.gz PVYHSYNWYFSIGS-ZDUSSCGKSA-N 1 1 321.337 0.736 20 5 DCBDMO C[C@@H](c1nc(CCC(C)(C)[N+](=O)[O-])no1)N1CC[NH2+]CC1=O ZINC000863674676 667167941 /nfs/dbraw/zinc/16/79/41/667167941.db2.gz JBPAIWYUUZDVFV-VIFPVBQESA-N 1 1 311.342 0.550 20 5 DCBDMO O=C(Cc1cccc(F)c1[N+](=O)[O-])NCC[N@@H+]1CC[C@@H](O)C1 ZINC000869462537 667659449 /nfs/dbraw/zinc/65/94/49/667659449.db2.gz VNMNEDZSCJTENC-LLVKDONJSA-N 1 1 311.313 0.459 20 5 DCBDMO CC1(C)CC[N@@H+](CCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000890078376 668093217 /nfs/dbraw/zinc/09/32/17/668093217.db2.gz CHRGWNBHZAMMCC-UHFFFAOYSA-N 1 1 322.365 0.605 20 5 DCBDMO C[N@@H+](CCO)CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000924998836 668263170 /nfs/dbraw/zinc/26/31/70/668263170.db2.gz GNOATHKTIJLCPF-UHFFFAOYSA-N 1 1 301.730 0.902 20 5 DCBDMO C[C@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000778356410 668898342 /nfs/dbraw/zinc/89/83/42/668898342.db2.gz NLYUMSWQIBKVRF-SWLSCSKDSA-N 1 1 309.366 0.627 20 5 DCBDMO C[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1CO ZINC000931407679 669195567 /nfs/dbraw/zinc/19/55/67/669195567.db2.gz KJKUKYLRZAHQIL-NSHDSACASA-N 1 1 306.322 0.844 20 5 DCBDMO C[N@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1CO ZINC000931407679 669195568 /nfs/dbraw/zinc/19/55/68/669195568.db2.gz KJKUKYLRZAHQIL-NSHDSACASA-N 1 1 306.322 0.844 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000880530811 669227453 /nfs/dbraw/zinc/22/74/53/669227453.db2.gz TVDLXGKDUNZYGD-BXUZGUMPSA-N 1 1 320.349 0.357 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000880530811 669227456 /nfs/dbraw/zinc/22/74/56/669227456.db2.gz TVDLXGKDUNZYGD-BXUZGUMPSA-N 1 1 320.349 0.357 20 5 DCBDMO CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000932059292 669305336 /nfs/dbraw/zinc/30/53/36/669305336.db2.gz DYYUEVCHOAUITD-FRRDWIJNSA-N 1 1 308.338 0.922 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000932551720 669382973 /nfs/dbraw/zinc/38/29/73/669382973.db2.gz LIWKFBFYQMQMOZ-LBPRGKRZSA-N 1 1 307.354 0.795 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000933720819 669525158 /nfs/dbraw/zinc/52/51/58/669525158.db2.gz OUWXOWZOBCYFEZ-PHIMTYICSA-N 1 1 314.367 0.076 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000933720819 669525161 /nfs/dbraw/zinc/52/51/61/669525161.db2.gz OUWXOWZOBCYFEZ-PHIMTYICSA-N 1 1 314.367 0.076 20 5 DCBDMO CC[N@H+]1CC[C@H]1CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000882959285 669630652 /nfs/dbraw/zinc/63/06/52/669630652.db2.gz AORCACVXLLVQAX-NSHDSACASA-N 1 1 322.369 0.728 20 5 DCBDMO CC(C)[N@H+]1CCO[C@@H](COC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000802138060 670152150 /nfs/dbraw/zinc/15/21/50/670152150.db2.gz ZJPYRRSTRAQCCX-GFCCVEGCSA-N 1 1 312.326 0.444 20 5 DCBDMO Nc1ccc(NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000823920864 671413242 /nfs/dbraw/zinc/41/32/42/671413242.db2.gz GFOIJELZIQTVKO-WDEREUQCSA-N 1 1 321.337 0.460 20 5 DCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823994569 671415236 /nfs/dbraw/zinc/41/52/36/671415236.db2.gz VANBVKXXRUFDLL-NSHDSACASA-N 1 1 322.369 0.544 20 5 DCBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000827528035 671530850 /nfs/dbraw/zinc/53/08/50/671530850.db2.gz FSGJSMXKYAXTHU-KFWWJZLASA-N 1 1 319.361 0.881 20 5 DCBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000837190759 671850745 /nfs/dbraw/zinc/85/07/45/671850745.db2.gz MBNOILKTDCUTRZ-FZMZJTMJSA-N 1 1 323.349 0.153 20 5 DCBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000837190759 671850749 /nfs/dbraw/zinc/85/07/49/671850749.db2.gz MBNOILKTDCUTRZ-FZMZJTMJSA-N 1 1 323.349 0.153 20 5 DCBDMO Cc1cccc(C(=O)NC2CC[NH+](CC(N)=O)CC2)c1[N+](=O)[O-] ZINC000119385570 685116901 /nfs/dbraw/zinc/11/69/01/685116901.db2.gz QALMHSPWMPTMSA-UHFFFAOYSA-N 1 1 320.349 0.583 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[N@H+](C2CC2)C[C@H]1C ZINC001648857507 1157428607 /nfs/dbraw/zinc/42/86/07/1157428607.db2.gz HZQUDEMLDLXAGQ-SNVBAGLBSA-N 1 1 307.354 0.795 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[N@@H+](C2CC2)C[C@H]1C ZINC001648857507 1157428610 /nfs/dbraw/zinc/42/86/10/1157428610.db2.gz HZQUDEMLDLXAGQ-SNVBAGLBSA-N 1 1 307.354 0.795 20 5 DCBDMO COCC[N@H+]1CC[C@@H](NC(=O)Nc2c(C)cncc2[N+](=O)[O-])C1 ZINC001670514457 1157454017 /nfs/dbraw/zinc/45/40/17/1157454017.db2.gz DWBATAGBEDFZEG-LLVKDONJSA-N 1 1 323.353 0.562 20 5 DCBDMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001566970283 1160197895 /nfs/dbraw/zinc/19/78/95/1160197895.db2.gz QPWJVGCAWBENEJ-JYAVWHMHSA-N 1 1 318.333 0.017 20 5 DCBDMO CCCc1[nH]nc(C(=O)N2CC[C@]3(C2)C[NH2+]CCO3)c1[N+](=O)[O-] ZINC001577603651 1164735017 /nfs/dbraw/zinc/73/50/17/1164735017.db2.gz TZUOXQQXFCPZNX-CQSZACIVSA-N 1 1 323.353 0.475 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)C[C@@H]21 ZINC001591196387 1167144214 /nfs/dbraw/zinc/14/42/14/1167144214.db2.gz WTWIBIMHLBZHAC-RNCFNFMXSA-N 1 1 315.337 0.915 20 5 DCBDMO C[N@@H+](CCCCO)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001604741466 1169667737 /nfs/dbraw/zinc/66/77/37/1169667737.db2.gz MBEBVNPVZCHFKY-UHFFFAOYSA-N 1 1 306.326 0.979 20 5 DCBDMO C[C@H]1C[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C[C@@H]1O ZINC001609174217 1170844821 /nfs/dbraw/zinc/84/48/21/1170844821.db2.gz SLAKUMBLTLPOKN-UFBFGSQYSA-N 1 1 304.310 0.588 20 5 DCBDMO Cc1noc(C[NH+]2CCC3(CC2)C[C@H](O)CNC3=O)c1[N+](=O)[O-] ZINC001620636890 1171405759 /nfs/dbraw/zinc/40/57/59/1171405759.db2.gz OVOLEJPZLZIQQJ-JTQLQIEISA-N 1 1 324.337 0.354 20 5 DCBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@@H]1C[N@H+](C)CCO1 ZINC001622416688 1171424028 /nfs/dbraw/zinc/42/40/28/1171424028.db2.gz ZWVIOXUFZASNHU-RNCFNFMXSA-N 1 1 308.338 0.626 20 5 DCBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@@H]1C[N@@H+](C)CCO1 ZINC001622416688 1171424033 /nfs/dbraw/zinc/42/40/33/1171424033.db2.gz ZWVIOXUFZASNHU-RNCFNFMXSA-N 1 1 308.338 0.626 20 5 DCBDMO CN(C)c1[nH+]cc(CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)n1C ZINC001628320982 1171524382 /nfs/dbraw/zinc/52/43/82/1171524382.db2.gz YYIHBZHUBQNIAV-UHFFFAOYSA-N 1 1 319.325 0.302 20 5 DCBDMO CC[N@H+]1CC[C@@H]1CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC001636658121 1171746577 /nfs/dbraw/zinc/74/65/77/1171746577.db2.gz XRXDGAYKBOPQTI-GFCCVEGCSA-N 1 1 321.333 0.997 20 5 DCBDMO Nc1ncc(C(=O)NC2CC([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC001639775004 1171851404 /nfs/dbraw/zinc/85/14/04/1171851404.db2.gz PLTNZHIODBWDJO-UHFFFAOYSA-N 1 1 321.337 0.165 20 5 DCBDMO C[C@H](C(=O)NC[C@@]1(CO)COCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC001642788362 1171955902 /nfs/dbraw/zinc/95/59/02/1171955902.db2.gz QXPOMCHKRGHTHT-XHDPSFHLSA-N 1 1 323.349 0.165 20 5 DCBDMO COC(=O)[C@@]1(O)CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001644291295 1172002152 /nfs/dbraw/zinc/00/21/52/1172002152.db2.gz CPGMWSTVNXFYDX-CQSZACIVSA-N 1 1 310.306 0.583 20 5 DCBDMO CC(C)(O)[C@@H](O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001644832962 1172022013 /nfs/dbraw/zinc/02/20/13/1172022013.db2.gz PHGWTAUEETVTQI-JQWIXIFHSA-N 1 1 310.354 0.608 20 5 DCBDMO CC(C)(O)[C@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001644832964 1172022583 /nfs/dbraw/zinc/02/25/83/1172022583.db2.gz PHGWTAUEETVTQI-ZYHUDNBSSA-N 1 1 310.354 0.608 20 5 DCBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3ccnc(N)c3[N+](=O)[O-])C[C@]2(C)C1 ZINC001645792759 1172144172 /nfs/dbraw/zinc/14/41/72/1172144172.db2.gz OLVBKFYXMNRMDG-OTYXRUKQSA-N 1 1 305.338 0.596 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](c3cnccn3)C2)c1 ZINC001655712533 1173825511 /nfs/dbraw/zinc/82/55/11/1173825511.db2.gz HJMVMCIWFGQPDK-WCQYABFASA-N 1 1 318.337 0.432 20 5 DCBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2C[C@H](CO)[C@H](CCO)C2)c1 ZINC001656540353 1173867947 /nfs/dbraw/zinc/86/79/47/1173867947.db2.gz IMRVCUDHIPZQMG-CHWSQXEVSA-N 1 1 310.350 0.896 20 5 DCBDMO C[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001657265799 1173911079 /nfs/dbraw/zinc/91/10/79/1173911079.db2.gz TXJSXYXKQQIRCQ-JTQLQIEISA-N 1 1 314.367 0.752 20 5 DCBDMO C[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001657265799 1173911082 /nfs/dbraw/zinc/91/10/82/1173911082.db2.gz TXJSXYXKQQIRCQ-JTQLQIEISA-N 1 1 314.367 0.752 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001662172457 1174183929 /nfs/dbraw/zinc/18/39/29/1174183929.db2.gz HUWZEQLDNJQIAJ-ZDUSSCGKSA-N 1 1 312.301 0.922 20 5 DCBDMO CN(CCC[N@@H+](C)Cc1cncn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001700186186 1178523799 /nfs/dbraw/zinc/52/37/99/1178523799.db2.gz WGXGXAGQUTXFFR-CHWSQXEVSA-N 1 1 309.370 0.366 20 5 DCBDMO Cc1nc(CC[NH2+]CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC001713591591 1180950658 /nfs/dbraw/zinc/95/06/58/1180950658.db2.gz RDYVQPLPJFJNJY-VXGBXAGGSA-N 1 1 312.395 0.707 20 5 DCBDMO Nc1cc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)ncc1[N+](=O)[O-] ZINC001164967999 722073202 /nfs/dbraw/zinc/07/32/02/722073202.db2.gz XVLADGDNKUDSEQ-TXEJJXNPSA-N 1 1 319.365 0.871 20 5 DCBDMO Cc1cccnc1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001125424852 747132275 /nfs/dbraw/zinc/13/22/75/747132275.db2.gz WUUXHHYYYQGMAI-UHFFFAOYSA-N 1 1 318.337 0.551 20 5 DCBDMO COC(=O)[C@H](O)C1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC001168310891 749910119 /nfs/dbraw/zinc/91/01/19/749910119.db2.gz WERGYFXONUUXDL-LLVKDONJSA-N 1 1 312.326 0.074 20 5 DCBDMO O=C(NCC[NH2+]CCCOc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001126938727 750152028 /nfs/dbraw/zinc/15/20/28/750152028.db2.gz ILZWTODXIARDLD-ZIAGYGMSSA-N 1 1 307.350 0.827 20 5 DCBDMO Cc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)no1 ZINC001086082405 759691771 /nfs/dbraw/zinc/69/17/71/759691771.db2.gz MYBJVXFSPNDLHY-LYIQGSDWSA-N 1 1 308.338 0.633 20 5 DCBDMO O=C1NC(=O)C2(C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H]2CC[C@H](C[N+](=O)[O-])C2)N1 ZINC001169048997 760563447 /nfs/dbraw/zinc/56/34/47/760563447.db2.gz VQYRSPQGQXRPIM-ZBRZCMCYSA-N 1 1 322.365 0.637 20 5 DCBDMO C[NH+](C)CCOc1cc(NC[C@@H]2COCCN2)ccc1[N+](=O)[O-] ZINC001170043003 761670296 /nfs/dbraw/zinc/67/02/96/761670296.db2.gz DBJPEOXYEODYBX-CYBMUJFWSA-N 1 1 324.381 0.936 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)Cc1ccccc1 ZINC001130355292 763257949 /nfs/dbraw/zinc/25/79/49/763257949.db2.gz NYFAYRPTITVXRL-UHFFFAOYSA-N 1 1 317.349 0.777 20 5 DCBDMO COCC(C)(C)C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001131321904 763744392 /nfs/dbraw/zinc/74/43/92/763744392.db2.gz QJXGOJAGAAWTPS-UHFFFAOYSA-N 1 1 313.358 0.207 20 5 DCBDMO Cc1ccoc1CC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001133578457 765031973 /nfs/dbraw/zinc/03/19/73/765031973.db2.gz XPVKGGHPDQKCHR-UHFFFAOYSA-N 1 1 321.337 0.678 20 5 DCBDMO CC(=O)N1CCc2cc(N[C@@H](N)CCC[NH3+])cc([N+](=O)[O-])c21 ZINC001170902046 766251660 /nfs/dbraw/zinc/25/16/60/766251660.db2.gz AGIOMXWBMFYBJA-CYBMUJFWSA-N 1 1 307.354 0.939 20 5 DCBDMO CN1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001120573245 767083011 /nfs/dbraw/zinc/08/30/11/767083011.db2.gz NCHLSWVKRZNEFN-QWHCGFSZSA-N 1 1 309.366 0.876 20 5 DCBDMO CCc1nc[nH]c1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001149447038 768753359 /nfs/dbraw/zinc/75/33/59/768753359.db2.gz DYUDQYJVCVZODP-UHFFFAOYSA-N 1 1 321.341 0.133 20 5 DCBDMO Cn1ncc(C[NH2+]CCCCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001178458367 770759692 /nfs/dbraw/zinc/75/96/92/770759692.db2.gz CZWGLHBACRCVPG-CHWSQXEVSA-N 1 1 324.385 0.247 20 5 DCBDMO O=C(NCCCCCC[NH2+]Cc1cnon1)[C@@H]1CC1[N+](=O)[O-] ZINC001178463702 770760427 /nfs/dbraw/zinc/76/04/27/770760427.db2.gz ITOCLPKKGMOBTR-VXGBXAGGSA-N 1 1 311.342 0.501 20 5 DCBDMO COc1cc(C(=O)N2CC([NH2+]C3COC3)C2)ccc1[N+](=O)[O-] ZINC001179457654 771009098 /nfs/dbraw/zinc/00/90/98/771009098.db2.gz JMBHUQJFCWTBJO-UHFFFAOYSA-N 1 1 307.306 0.416 20 5 DCBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC([NH2+]C2COC2)C1 ZINC001157594974 771639073 /nfs/dbraw/zinc/63/90/73/771639073.db2.gz XUMZZJDHYCIQCK-UHFFFAOYSA-N 1 1 323.374 0.886 20 5 DCBDMO O=C1C[NH2+]CCN1CCNc1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001161019303 772150862 /nfs/dbraw/zinc/15/08/62/772150862.db2.gz MVAFTIUALJYDSI-UHFFFAOYSA-N 1 1 316.321 0.382 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N(CC[NH2+]CCO)CCc1ccccc1 ZINC001162810369 772421082 /nfs/dbraw/zinc/42/10/82/772421082.db2.gz JWWIDQJLOAAVRV-HUUCEWRRSA-N 1 1 321.377 0.305 20 5 DCBDMO COc1cnc(N2CC([N@@H+](C)[C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001165205925 772705414 /nfs/dbraw/zinc/70/54/14/772705414.db2.gz YKLZQNBSFNHLOM-SNVBAGLBSA-N 1 1 308.338 0.908 20 5 DCBDMO COC[C@]1(CO)CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC001194408607 773187338 /nfs/dbraw/zinc/18/73/38/773187338.db2.gz FPMPKZHBUOLPHT-OAHLLOKOSA-N 1 1 323.349 0.525 20 5 DCBDMO Cn1[nH]c(=O)c2c1C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC001196952182 773674360 /nfs/dbraw/zinc/67/43/60/773674360.db2.gz DKJGOFTYURMCMX-UHFFFAOYSA-N 1 1 319.321 0.254 20 5 DCBDMO Cn1[nH]c(=O)c2c1C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC001196952182 773674365 /nfs/dbraw/zinc/67/43/65/773674365.db2.gz DKJGOFTYURMCMX-UHFFFAOYSA-N 1 1 319.321 0.254 20 5 DCBDMO CC(C)COCC[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001200473155 774359823 /nfs/dbraw/zinc/35/98/23/774359823.db2.gz XXLXQRPKACAZQH-ZIAGYGMSSA-N 1 1 313.398 0.905 20 5 DCBDMO COc1ccc2nc(OC(=O)C[C@@H](O)C[N+](C)(C)C)[nH]c2c1 ZINC001229729894 776218650 /nfs/dbraw/zinc/21/86/50/776218650.db2.gz MZPXBTOSPSSNSO-SNVBAGLBSA-N 1 1 308.358 0.934 20 5 DCBDMO CN(CC[NH2+]Cc1ccc(CO)cc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001481228730 939654166 /nfs/dbraw/zinc/65/41/66/939654166.db2.gz DUKNBAYJBMDVBF-ZIAGYGMSSA-N 1 1 307.350 0.392 20 5 DCBDMO COCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001491300828 943901976 /nfs/dbraw/zinc/90/19/76/943901976.db2.gz FBUIRBJXJDDJCO-NHAGDIPZSA-N 1 1 305.334 0.788 20 5 DCBDMO C[N@H+](CCNC(=O)C1(C(N)=O)CC1)Cc1ccccc1[N+](=O)[O-] ZINC001317459727 944983253 /nfs/dbraw/zinc/98/32/53/944983253.db2.gz PAVUXJNVRHZQIZ-UHFFFAOYSA-N 1 1 320.349 0.408 20 5 DCBDMO C[N@@H+](CCNC(=O)C1(C(N)=O)CC1)Cc1ccccc1[N+](=O)[O-] ZINC001317459727 944983258 /nfs/dbraw/zinc/98/32/58/944983258.db2.gz PAVUXJNVRHZQIZ-UHFFFAOYSA-N 1 1 320.349 0.408 20 5 DCBDMO C[N@H+](CCNS(C)(=O)=O)CCOc1ccc([N+](=O)[O-])cc1 ZINC001318521668 945392600 /nfs/dbraw/zinc/39/26/00/945392600.db2.gz PJBZCZVGDUWMHK-UHFFFAOYSA-N 1 1 317.367 0.455 20 5 DCBDMO C[N@@H+](CCNS(C)(=O)=O)CCOc1ccc([N+](=O)[O-])cc1 ZINC001318521668 945392607 /nfs/dbraw/zinc/39/26/07/945392607.db2.gz PJBZCZVGDUWMHK-UHFFFAOYSA-N 1 1 317.367 0.455 20 5 DCBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2nnc3n2CCOC3)c1 ZINC001326598569 948211416 /nfs/dbraw/zinc/21/14/16/948211416.db2.gz XMEHABZAQFGKSJ-LBPRGKRZSA-N 1 1 319.321 0.540 20 5 DCBDMO Cc1nc(C)c(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001274014818 951327362 /nfs/dbraw/zinc/32/73/62/951327362.db2.gz DCXQRUMLCGUQCY-OPVGQWETSA-N 1 1 308.338 0.719 20 5 DCBDMO C[N@H+]1CCC[C@@H](N2CCN(c3cc(N)c([N+](=O)[O-])cn3)CC2)C1 ZINC001339577279 953104300 /nfs/dbraw/zinc/10/43/00/953104300.db2.gz BYSPQVZUBMMHPV-GFCCVEGCSA-N 1 1 320.397 0.788 20 5 DCBDMO Cc1[nH+]ccn1CCCNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001291867588 956918010 /nfs/dbraw/zinc/91/80/10/956918010.db2.gz GASBNWKZDCNAIN-UHFFFAOYSA-N 1 1 304.310 0.897 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC001295513767 957737737 /nfs/dbraw/zinc/73/77/37/957737737.db2.gz IODBZKHINPZGBC-SWLSCSKDSA-N 1 1 323.349 0.675 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001295513767 957737748 /nfs/dbraw/zinc/73/77/48/957737748.db2.gz IODBZKHINPZGBC-SWLSCSKDSA-N 1 1 323.349 0.675 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](c2ncccn2)C2CC2)c1 ZINC001308091356 960169190 /nfs/dbraw/zinc/16/91/90/960169190.db2.gz BETOLSYBTPYTOC-QWHCGFSZSA-N 1 1 318.337 0.683 20 5 DCBDMO NC(=O)c1ccc(C[N@H+]2C[C@@H]3C(=O)OC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001473693082 1016957865 /nfs/dbraw/zinc/95/78/65/1016957865.db2.gz DISSBDGJYCZWAS-QWRGUYRKSA-N 1 1 305.290 0.299 20 5 DCBDMO NC(=O)c1ccc(C[N@@H+]2C[C@@H]3C(=O)OC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001473693082 1016957873 /nfs/dbraw/zinc/95/78/73/1016957873.db2.gz DISSBDGJYCZWAS-QWRGUYRKSA-N 1 1 305.290 0.299 20 5 DCBDMO C[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001477128618 1017256513 /nfs/dbraw/zinc/25/65/13/1017256513.db2.gz ZMGKZBQFPTUPCY-SNVBAGLBSA-N 1 1 321.337 0.909 20 5 DCBDMO C[C@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001556282885 1012195961 /nfs/dbraw/zinc/19/59/61/1012195961.db2.gz UXLUIVJYTDKXQX-JTQLQIEISA-N 1 1 308.338 0.316 20 5 DCBDMO C[C@@H]1C[N@H+](CCO)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001559905640 1012436537 /nfs/dbraw/zinc/43/65/37/1012436537.db2.gz FKXAZUZZUJHBPA-GFCCVEGCSA-N 1 1 322.365 0.532 20 5 DCBDMO C[C@@H]1C[N@@H+](CCO)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001559905640 1012436544 /nfs/dbraw/zinc/43/65/44/1012436544.db2.gz FKXAZUZZUJHBPA-GFCCVEGCSA-N 1 1 322.365 0.532 20 5 DCBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2C[C@H](CO)[C@@H](CCO)C2)cc1 ZINC001560230874 1012444255 /nfs/dbraw/zinc/44/42/55/1012444255.db2.gz ISJAAYASRHKUJM-QWHCGFSZSA-N 1 1 310.350 0.896 20 5 DCBDMO CC(C)[C@H]1CN(c2nnc(CCC[N+](=O)[O-])n2C)CC[N@H+]1C ZINC001519566338 1017218471 /nfs/dbraw/zinc/21/84/71/1017218471.db2.gz NLPHLVZVUZDTMJ-GFCCVEGCSA-N 1 1 310.402 0.801 20 5 DCBDMO COCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001501179578 1018938086 /nfs/dbraw/zinc/93/80/86/1018938086.db2.gz PYJGGWICSLNRHN-AAVRWANBSA-N 1 1 313.398 0.810 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(CNC(=O)c2ccon2)CC1 ZINC001499164518 1019816709 /nfs/dbraw/zinc/81/67/09/1019816709.db2.gz BJTRLKQTNRNAAG-UHFFFAOYSA-N 1 1 320.309 0.369 20 5 DCBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@@H+]1CC(C)(C)O ZINC000286919795 219225440 /nfs/dbraw/zinc/22/54/40/219225440.db2.gz ZEMCRMNDLQCDTB-VIFPVBQESA-N 1 1 311.342 0.235 20 5 DCBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@H+]1CC(C)(C)O ZINC000286919795 219225442 /nfs/dbraw/zinc/22/54/42/219225442.db2.gz ZEMCRMNDLQCDTB-VIFPVBQESA-N 1 1 311.342 0.235 20 5 DCBDMO C[NH+](C)CCN1CCC(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000265135074 186335731 /nfs/dbraw/zinc/33/57/31/186335731.db2.gz SYUVPNBSXGHRRS-UHFFFAOYSA-N 1 1 323.397 0.926 20 5 DCBDMO COCC[N@@H+](C)CCCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180926675 199228882 /nfs/dbraw/zinc/22/88/82/199228882.db2.gz XOYYUEGERFQKNQ-UHFFFAOYSA-N 1 1 310.354 0.875 20 5 DCBDMO C[N@@H+](CCN1CCCC1=O)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159822694 291236519 /nfs/dbraw/zinc/23/65/19/291236519.db2.gz MXGRCUJDGCVNTC-UHFFFAOYSA-N 1 1 308.338 0.311 20 5 DCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000264710213 204094200 /nfs/dbraw/zinc/09/42/00/204094200.db2.gz OKBIDPDVQQSKPO-CYBMUJFWSA-N 1 1 306.366 0.499 20 5 DCBDMO COc1cc(C[NH2+][C@@H](C)C(=O)NCCF)c([N+](=O)[O-])cc1O ZINC000282654878 217155694 /nfs/dbraw/zinc/15/56/94/217155694.db2.gz LKJQGGQWMNXGIJ-QMMMGPOBSA-N 1 1 315.301 0.873 20 5 DCBDMO COC(=O)CC[N@@H+]1CCN(c2ncc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000273919313 211176212 /nfs/dbraw/zinc/17/62/12/211176212.db2.gz JLHDVZXCPZNMFL-SNVBAGLBSA-N 1 1 309.326 0.458 20 5 DCBDMO COC(=O)CC[N@H+]1CCN(c2ncc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000273919313 211176214 /nfs/dbraw/zinc/17/62/14/211176214.db2.gz JLHDVZXCPZNMFL-SNVBAGLBSA-N 1 1 309.326 0.458 20 5 DCBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000347120222 254131325 /nfs/dbraw/zinc/13/13/25/254131325.db2.gz XOHUGFLMWNMDRV-SNVBAGLBSA-N 1 1 324.337 0.536 20 5 DCBDMO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000347147384 254133627 /nfs/dbraw/zinc/13/36/27/254133627.db2.gz WNWRTALLXQIDIW-LLVKDONJSA-N 1 1 323.349 0.829 20 5 DCBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000347147384 254133628 /nfs/dbraw/zinc/13/36/28/254133628.db2.gz WNWRTALLXQIDIW-LLVKDONJSA-N 1 1 323.349 0.829 20 5 DCBDMO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CS(=O)(=O)CCO2)cs1 ZINC000350780472 254325752 /nfs/dbraw/zinc/32/57/52/254325752.db2.gz HONIABRUDKNFLM-SECBINFHSA-N 1 1 306.365 0.560 20 5 DCBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])[C@H](C)C1 ZINC000284793550 131111962 /nfs/dbraw/zinc/11/19/62/131111962.db2.gz MLFWOPIYCHCVPH-GHMZBOCLSA-N 1 1 323.353 0.909 20 5 DCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])[C@H](C)C1 ZINC000284793550 131111964 /nfs/dbraw/zinc/11/19/64/131111964.db2.gz MLFWOPIYCHCVPH-GHMZBOCLSA-N 1 1 323.353 0.909 20 5 DCBDMO CO[C@H]1COC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000290243856 131468687 /nfs/dbraw/zinc/46/86/87/131468687.db2.gz ZIYJVRQUCAGNTB-XDTLVQLUSA-N 1 1 309.322 0.925 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1COCC[NH2+]1 ZINC000235757564 395893127 /nfs/dbraw/zinc/89/31/27/395893127.db2.gz KAGRKBKQQIHNER-JTQLQIEISA-N 1 1 315.351 0.170 20 5 DCBDMO C[N@@H+](CCNC(=O)Cn1cnc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000056191940 395927808 /nfs/dbraw/zinc/92/78/08/395927808.db2.gz NOONJIJBXSRLGL-UHFFFAOYSA-N 1 1 318.337 0.435 20 5 DCBDMO C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCO1 ZINC000157892471 396064296 /nfs/dbraw/zinc/06/42/96/396064296.db2.gz FOTSJTWNHQOVEQ-BXUZGUMPSA-N 1 1 323.349 0.809 20 5 DCBDMO C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000157892471 396064300 /nfs/dbraw/zinc/06/43/00/396064300.db2.gz FOTSJTWNHQOVEQ-BXUZGUMPSA-N 1 1 323.349 0.809 20 5 DCBDMO C[C@H](O)C[N@H+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000249122839 396003150 /nfs/dbraw/zinc/00/31/50/396003150.db2.gz ZPHNVGWSRXTIKF-OLZOCXBDSA-N 1 1 324.381 0.143 20 5 DCBDMO C[NH2+][C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000262284945 396117969 /nfs/dbraw/zinc/11/79/69/396117969.db2.gz XTFNTYYZUWVZLZ-CYBMUJFWSA-N 1 1 303.322 0.905 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278652651 396137435 /nfs/dbraw/zinc/13/74/35/396137435.db2.gz HKWWZCXPDXUJEW-BETUJISGSA-N 1 1 309.322 0.269 20 5 DCBDMO CCN1CC[NH+](CCCNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000076268094 396200069 /nfs/dbraw/zinc/20/00/69/396200069.db2.gz YWZQGJNDYBALPH-UHFFFAOYSA-N 1 1 309.374 0.407 20 5 DCBDMO Cc1n[nH]c(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000281823586 396242613 /nfs/dbraw/zinc/24/26/13/396242613.db2.gz RHQUIRKZNDSCBK-UHFFFAOYSA-N 1 1 324.385 0.382 20 5 DCBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000264565835 396291756 /nfs/dbraw/zinc/29/17/56/396291756.db2.gz RMRZEDPSIVDNTO-SECBINFHSA-N 1 1 310.310 0.257 20 5 DCBDMO Cc1cc(=O)n(CCC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000283142829 396311153 /nfs/dbraw/zinc/31/11/53/396311153.db2.gz URTCPRVLWBCOEJ-UHFFFAOYSA-N 1 1 308.338 0.229 20 5 DCBDMO C[C@@H](O)C[NH+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000186839133 396359194 /nfs/dbraw/zinc/35/91/94/396359194.db2.gz CBNPNJPNYCRTQL-GFCCVEGCSA-N 1 1 307.350 0.662 20 5 DCBDMO C[N@H+](CCC(N)=O)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000286354431 396390105 /nfs/dbraw/zinc/39/01/05/396390105.db2.gz HCOSOIKCPYZDGS-UHFFFAOYSA-N 1 1 314.729 0.994 20 5 DCBDMO C[N@@H+](CCC(N)=O)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000286354431 396390108 /nfs/dbraw/zinc/39/01/08/396390108.db2.gz HCOSOIKCPYZDGS-UHFFFAOYSA-N 1 1 314.729 0.994 20 5 DCBDMO O=C1NC(=O)[C@@]2(CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000192651945 396433882 /nfs/dbraw/zinc/43/38/82/396433882.db2.gz KXMDYAGOJHMPCJ-AWEZNQCLSA-N 1 1 304.306 0.769 20 5 DCBDMO CCc1nn(C)c(NCCC[N@H+]2CCC[C@H]2C(N)=O)c1[N+](=O)[O-] ZINC000288911224 396449171 /nfs/dbraw/zinc/44/91/71/396449171.db2.gz OSBNCSGOOKKTHM-NSHDSACASA-N 1 1 324.385 0.642 20 5 DCBDMO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000594965849 396541568 /nfs/dbraw/zinc/54/15/68/396541568.db2.gz LPBQETWSXLTJEO-NWDGAFQWSA-N 1 1 300.336 0.496 20 5 DCBDMO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000594965848 396541660 /nfs/dbraw/zinc/54/16/60/396541660.db2.gz LPBQETWSXLTJEO-NEPJUHHUSA-N 1 1 300.336 0.496 20 5 DCBDMO Cn1ccnc1[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000530410536 396577211 /nfs/dbraw/zinc/57/72/11/396577211.db2.gz KDNHPKBAGGKVKV-LBPRGKRZSA-N 1 1 317.349 0.980 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000375305202 396726303 /nfs/dbraw/zinc/72/63/03/396726303.db2.gz WFZRBMAXTMFMDR-UHFFFAOYSA-N 1 1 318.337 0.949 20 5 DCBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588860771 396695498 /nfs/dbraw/zinc/69/54/98/396695498.db2.gz LGNNASHSUNDVQG-GJZGRUSLSA-N 1 1 319.361 0.805 20 5 DCBDMO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000295567845 396701659 /nfs/dbraw/zinc/70/16/59/396701659.db2.gz UWKVAHUPUHFKSQ-LBPRGKRZSA-N 1 1 323.349 0.877 20 5 DCBDMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000295567845 396701663 /nfs/dbraw/zinc/70/16/63/396701663.db2.gz UWKVAHUPUHFKSQ-LBPRGKRZSA-N 1 1 323.349 0.877 20 5 DCBDMO C[N@@H+](CCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)C1CC1 ZINC000596088358 396715993 /nfs/dbraw/zinc/71/59/93/396715993.db2.gz OZTZADYMTYSXAC-UHFFFAOYSA-N 1 1 314.367 0.748 20 5 DCBDMO COCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596121146 396719871 /nfs/dbraw/zinc/71/98/71/396719871.db2.gz LFDYJCDTNBUSRM-NSHDSACASA-N 1 1 308.338 0.826 20 5 DCBDMO NC(=O)c1cc(NCC[N@H+]2CCCOCC2)ccc1[N+](=O)[O-] ZINC000596203131 396731134 /nfs/dbraw/zinc/73/11/34/396731134.db2.gz MGFFWXYBXCYIDR-UHFFFAOYSA-N 1 1 308.338 0.828 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(c2ncccn2)CC1 ZINC000610664250 396745344 /nfs/dbraw/zinc/74/53/44/396745344.db2.gz YCYWZUWQGMSCLG-UHFFFAOYSA-N 1 1 317.353 0.712 20 5 DCBDMO C[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000611528868 396882252 /nfs/dbraw/zinc/88/22/52/396882252.db2.gz OYLUBUGQWUJRIG-SKDRFNHKSA-N 1 1 308.338 0.626 20 5 DCBDMO C[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000611528868 396882254 /nfs/dbraw/zinc/88/22/54/396882254.db2.gz OYLUBUGQWUJRIG-SKDRFNHKSA-N 1 1 308.338 0.626 20 5 DCBDMO CN(C)c1cc[nH+]c(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c1 ZINC000612346114 397032945 /nfs/dbraw/zinc/03/29/45/397032945.db2.gz GQMMOMMWCNBSAG-UHFFFAOYSA-N 1 1 317.305 0.856 20 5 DCBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000597855579 397123382 /nfs/dbraw/zinc/12/33/82/397123382.db2.gz SUQHMCSJQPZBMA-SNVBAGLBSA-N 1 1 310.358 0.423 20 5 DCBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000592206050 397127442 /nfs/dbraw/zinc/12/74/42/397127442.db2.gz LMPWTVNEGSLPST-DGCLKSJQSA-N 1 1 324.333 0.959 20 5 DCBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000592206050 397127446 /nfs/dbraw/zinc/12/74/46/397127446.db2.gz LMPWTVNEGSLPST-DGCLKSJQSA-N 1 1 324.333 0.959 20 5 DCBDMO C[N@H+]1CC[C@H](CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598593854 397254308 /nfs/dbraw/zinc/25/43/08/397254308.db2.gz XNMHMJXOBXAQEU-LLVKDONJSA-N 1 1 322.369 0.585 20 5 DCBDMO CCCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@H]1CC[N@@H+](C)C1 ZINC000592832195 397260458 /nfs/dbraw/zinc/26/04/58/397260458.db2.gz SUAUVWMGSLVCKX-LBPRGKRZSA-N 1 1 322.365 0.699 20 5 DCBDMO CN1C[C@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC1=O ZINC000574389456 397261298 /nfs/dbraw/zinc/26/12/98/397261298.db2.gz ULZBRDJYCDEIGR-GFCCVEGCSA-N 1 1 320.349 0.746 20 5 DCBDMO CN1C[C@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC1=O ZINC000574389456 397261305 /nfs/dbraw/zinc/26/13/05/397261305.db2.gz ULZBRDJYCDEIGR-GFCCVEGCSA-N 1 1 320.349 0.746 20 5 DCBDMO Cc1nn(C)c(N2CCC([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000599105891 397337934 /nfs/dbraw/zinc/33/79/34/397337934.db2.gz RAIXCXUHXFRKAY-UHFFFAOYSA-N 1 1 309.370 0.938 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCCN1CCN(C)CC1 ZINC000602797795 397487375 /nfs/dbraw/zinc/48/73/75/397487375.db2.gz KHTVVNCMORJDAY-UHFFFAOYSA-N 1 1 324.429 0.669 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCCN1CCN(C)CC1 ZINC000602797795 397487379 /nfs/dbraw/zinc/48/73/79/397487379.db2.gz KHTVVNCMORJDAY-UHFFFAOYSA-N 1 1 324.429 0.669 20 5 DCBDMO CCCc1[nH]nc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000600000157 397559631 /nfs/dbraw/zinc/55/96/31/397559631.db2.gz PUFJPYWKALWHEY-GDGBQDQQSA-N 1 1 307.354 0.902 20 5 DCBDMO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000609881548 397795433 /nfs/dbraw/zinc/79/54/33/397795433.db2.gz WMFOESSASPDKOY-NWDGAFQWSA-N 1 1 319.365 0.954 20 5 DCBDMO O=[N+]([O-])c1cnn(CCN2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c1 ZINC000610447936 397821951 /nfs/dbraw/zinc/82/19/51/397821951.db2.gz WGSGYZQKXCBRGB-HNNXBMFYSA-N 1 1 323.397 0.978 20 5 DCBDMO COc1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000123490153 286244524 /nfs/dbraw/zinc/24/45/24/286244524.db2.gz OMEFUZVWMBKLQM-SECBINFHSA-N 1 1 315.351 0.586 20 5 DCBDMO COCC[N@@H+](C)CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000067273315 158039086 /nfs/dbraw/zinc/03/90/86/158039086.db2.gz WMKVMLFOCMSPMQ-UHFFFAOYSA-N 1 1 310.354 0.701 20 5 DCBDMO C[NH+](C)C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCO1 ZINC000272604227 415296468 /nfs/dbraw/zinc/29/64/68/415296468.db2.gz YDYTYQIHMPDUOA-CYBMUJFWSA-N 1 1 309.322 0.703 20 5 DCBDMO CN(C)C(=O)C(C)(C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000074286571 415428478 /nfs/dbraw/zinc/42/84/78/415428478.db2.gz PSUFGFWHFDJMRO-UHFFFAOYSA-N 1 1 308.338 0.990 20 5 DCBDMO CCn1nc(C)c([N+](=O)[O-])c1NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000280823588 415544579 /nfs/dbraw/zinc/54/45/79/415544579.db2.gz YJAFWVBYEPYEKT-NSHDSACASA-N 1 1 324.385 0.871 20 5 DCBDMO Cn1cc[nH+]c1N1CCC(NC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000357040528 416024832 /nfs/dbraw/zinc/02/48/32/416024832.db2.gz PHOCUZNKIROAIJ-UHFFFAOYSA-N 1 1 319.325 0.450 20 5 DCBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000338540864 416107745 /nfs/dbraw/zinc/10/77/45/416107745.db2.gz RUVKVEDIUPKPAJ-OAHLLOKOSA-N 1 1 323.349 0.790 20 5 DCBDMO C[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@H+]1CC(C)(C)O ZINC000331288010 416302128 /nfs/dbraw/zinc/30/21/28/416302128.db2.gz IFTWCPJSCQBMPA-NSHDSACASA-N 1 1 311.386 0.605 20 5 DCBDMO C[C@@H](O)C[N@H+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000192800572 416311366 /nfs/dbraw/zinc/31/13/66/416311366.db2.gz CMMOSDAVJQTRIK-WDEREUQCSA-N 1 1 322.365 0.585 20 5 DCBDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000360810909 416411473 /nfs/dbraw/zinc/41/14/73/416411473.db2.gz FVKAOTJWPGDXKP-JTQLQIEISA-N 1 1 311.342 0.169 20 5 DCBDMO Nc1nccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000594236399 416558372 /nfs/dbraw/zinc/55/83/72/416558372.db2.gz NVNIUWZNYFMLBE-NXEZZACHSA-N 1 1 305.338 0.929 20 5 DCBDMO COC(=O)c1ccnc(NCCc2c[nH+]cn2C)c1[N+](=O)[O-] ZINC000598609595 416604926 /nfs/dbraw/zinc/60/49/26/416604926.db2.gz AZNMHLXAZJHVIH-UHFFFAOYSA-N 1 1 305.294 1.165 20 5 DCBDMO CC[N@@H+](CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000439073884 416606653 /nfs/dbraw/zinc/60/66/53/416606653.db2.gz CPIOSGIJSQWCOD-UHFFFAOYSA-N 1 1 308.338 0.357 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000609285019 416654123 /nfs/dbraw/zinc/65/41/23/416654123.db2.gz CKECZARRTIHTCO-NWDGAFQWSA-N 1 1 308.338 0.594 20 5 DCBDMO Nc1nc(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000370566424 416896696 /nfs/dbraw/zinc/89/66/96/416896696.db2.gz WBUFJAWXZWPAHB-QWRGUYRKSA-N 1 1 322.369 1.022 20 5 DCBDMO CNc1nccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000565181880 416939317 /nfs/dbraw/zinc/93/93/17/416939317.db2.gz NXZWGRNNLOTLEV-NWDGAFQWSA-N 1 1 319.365 1.388 20 5 DCBDMO Cc1nc(N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000450468419 417232416 /nfs/dbraw/zinc/23/24/16/417232416.db2.gz GCCNGFYSFCKXNX-SNVBAGLBSA-N 1 1 309.370 0.975 20 5 DCBDMO COC(=O)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@H+](C)C1 ZINC000413922882 417250802 /nfs/dbraw/zinc/25/08/02/417250802.db2.gz QHHSGYTUDGEKON-SECBINFHSA-N 1 1 311.294 0.365 20 5 DCBDMO COC(=O)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CC[N@@H+](C)C1 ZINC000413922882 417250808 /nfs/dbraw/zinc/25/08/08/417250808.db2.gz QHHSGYTUDGEKON-SECBINFHSA-N 1 1 311.294 0.365 20 5 DCBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](CO)CC(C)(C)C ZINC000451780207 417399154 /nfs/dbraw/zinc/39/91/54/417399154.db2.gz MTBAUURHOSYGFP-AAEUAGOBSA-N 1 1 314.386 0.881 20 5 DCBDMO CN(C)C(=O)N[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000451994630 417428848 /nfs/dbraw/zinc/42/88/48/417428848.db2.gz OEHNLWMTMLFGJA-NSHDSACASA-N 1 1 310.358 0.527 20 5 DCBDMO CN(C)C(=O)N[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000451994630 417428856 /nfs/dbraw/zinc/42/88/56/417428856.db2.gz OEHNLWMTMLFGJA-NSHDSACASA-N 1 1 310.358 0.527 20 5 DCBDMO Cn1c(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)ccc1[N+](=O)[O-] ZINC000452376953 417476918 /nfs/dbraw/zinc/47/69/18/417476918.db2.gz PPSWTTNWDYYUBS-LLVKDONJSA-N 1 1 310.354 0.510 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCSC[C@@H]2C2CC2)c1 ZINC000576467312 417611944 /nfs/dbraw/zinc/61/19/44/417611944.db2.gz WQAXXCSQZORCSC-CHWSQXEVSA-N 1 1 312.395 0.980 20 5 DCBDMO CC[NH+]1C[C@@H](C)N(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000576597664 417624072 /nfs/dbraw/zinc/62/40/72/417624072.db2.gz XWGZXIYNLNNZKN-VXGBXAGGSA-N 1 1 322.365 0.698 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000299286019 229029618 /nfs/dbraw/zinc/02/96/18/229029618.db2.gz GDSNJABRTLEDTR-RYUDHWBXSA-N 1 1 307.354 0.843 20 5 DCBDMO C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@H]1C[N@H+](C)CCO1 ZINC000301985184 230020946 /nfs/dbraw/zinc/02/09/46/230020946.db2.gz YXSIDPQCYDGURS-VHSXEESVSA-N 1 1 306.326 0.769 20 5 DCBDMO C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@H]1C[N@@H+](C)CCO1 ZINC000301985184 230020948 /nfs/dbraw/zinc/02/09/48/230020948.db2.gz YXSIDPQCYDGURS-VHSXEESVSA-N 1 1 306.326 0.769 20 5 DCBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000358065580 261625195 /nfs/dbraw/zinc/62/51/95/261625195.db2.gz LWRMSJWOJLNFPY-AWEZNQCLSA-N 1 1 309.322 0.400 20 5 DCBDMO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CC[N@@H+]1CCCOCC1 ZINC000412979234 262198348 /nfs/dbraw/zinc/19/83/48/262198348.db2.gz CNAZIAWLHBVKCS-UHFFFAOYSA-N 1 1 319.317 0.913 20 5 DCBDMO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CC[N@H+]1CCCOCC1 ZINC000412979234 262198349 /nfs/dbraw/zinc/19/83/49/262198349.db2.gz CNAZIAWLHBVKCS-UHFFFAOYSA-N 1 1 319.317 0.913 20 5 DCBDMO COc1ccc(CNC(=O)NCC(F)(F)C[NH3+])cc1[N+](=O)[O-] ZINC000417196820 262247449 /nfs/dbraw/zinc/24/74/49/262247449.db2.gz PPDUYTKOAKAYTB-UHFFFAOYSA-N 1 1 318.280 0.997 20 5 DCBDMO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000422710191 271379250 /nfs/dbraw/zinc/37/92/50/271379250.db2.gz FGMRDJUNVKIMPG-JSGCOSHPSA-N 1 1 323.349 0.987 20 5 DCBDMO C[C@@H](O)C[N@H+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)[C@@H](C)C1 ZINC000192800179 274271428 /nfs/dbraw/zinc/27/14/28/274271428.db2.gz PPPFZLBHIDTBTL-WDEREUQCSA-N 1 1 320.353 0.529 20 5 DCBDMO NC(=O)[C@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[NH2+]1 ZINC000264922427 274939547 /nfs/dbraw/zinc/93/95/47/274939547.db2.gz MMSWDNFKXJYTKJ-LLVKDONJSA-N 1 1 301.306 0.407 20 5 DCBDMO COC(=O)CC[N@@H+]1CCN(c2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000271722228 277318662 /nfs/dbraw/zinc/31/86/62/277318662.db2.gz RQGYUYMFQAHCIP-JTQLQIEISA-N 1 1 311.342 0.402 20 5 DCBDMO COC(=O)CC[N@H+]1CCN(c2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000271722228 277318663 /nfs/dbraw/zinc/31/86/63/277318663.db2.gz RQGYUYMFQAHCIP-JTQLQIEISA-N 1 1 311.342 0.402 20 5 DCBDMO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000547764226 288076743 /nfs/dbraw/zinc/07/67/43/288076743.db2.gz JALAMVPPVQDYNX-NSHDSACASA-N 1 1 324.385 0.321 20 5 DCBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290822602 300220269 /nfs/dbraw/zinc/22/02/69/300220269.db2.gz STUATXDBNKFUDL-GXSJLCMTSA-N 1 1 307.354 0.865 20 5 DCBDMO CCCc1n[nH]c(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000330707941 528546039 /nfs/dbraw/zinc/54/60/39/528546039.db2.gz VDZAZYTVVUTXEZ-SNVBAGLBSA-N 1 1 324.385 0.246 20 5 DCBDMO CCCc1n[nH]c(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000330707941 528546045 /nfs/dbraw/zinc/54/60/45/528546045.db2.gz VDZAZYTVVUTXEZ-SNVBAGLBSA-N 1 1 324.385 0.246 20 5 DCBDMO C[C@]1(C2CC2)COCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000934480591 658439933 /nfs/dbraw/zinc/43/99/33/658439933.db2.gz DHKWWSYRQNKADM-UONOGXRCSA-N 1 1 310.354 0.653 20 5 DCBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022064048 658818293 /nfs/dbraw/zinc/81/82/93/658818293.db2.gz SETOUIZBJWYPMM-YVECIDJPSA-N 1 1 308.313 0.623 20 5 DCBDMO C[N@@H+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@H]1CO ZINC000894885901 662026838 /nfs/dbraw/zinc/02/68/38/662026838.db2.gz SRJPCJIISXWPAW-NSHDSACASA-N 1 1 303.322 0.651 20 5 DCBDMO C[N@H+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@H]1CO ZINC000894885901 662026841 /nfs/dbraw/zinc/02/68/41/662026841.db2.gz SRJPCJIISXWPAW-NSHDSACASA-N 1 1 303.322 0.651 20 5 DCBDMO Cc1ccc([N+](=O)[O-])c(N(C)CC(=O)N2CC[NH+](C)CC2)n1 ZINC000894958774 662036959 /nfs/dbraw/zinc/03/69/59/662036959.db2.gz QQKAQPZHSLRRID-UHFFFAOYSA-N 1 1 307.354 0.508 20 5 DCBDMO CN(CC[N@@H+](C)CCO)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000912612475 664196013 /nfs/dbraw/zinc/19/60/13/664196013.db2.gz QCOMRNZRLSIZKM-VMPITWQZSA-N 1 1 307.350 0.991 20 5 DCBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1nc2ccccn2c1[N+](=O)[O-] ZINC000732049795 664898628 /nfs/dbraw/zinc/89/86/28/664898628.db2.gz ABKQDLHABHFOFY-NSHDSACASA-N 1 1 304.354 0.900 20 5 DCBDMO CCn1nncc1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996428399 666790443 /nfs/dbraw/zinc/79/04/43/666790443.db2.gz BEZLSHUUBGJXIK-CHWSQXEVSA-N 1 1 322.369 0.044 20 5 DCBDMO CO[C@H]1C[N@@H+](C)[C@@](C)(COC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000861345411 666920283 /nfs/dbraw/zinc/92/02/83/666920283.db2.gz TZNXCEBKFKRRRJ-ZWNOBZJWSA-N 1 1 312.326 0.444 20 5 DCBDMO CO[C@H]1C[N@@H+](C)[C@](C)(COC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000861344915 666920676 /nfs/dbraw/zinc/92/06/76/666920676.db2.gz VVOOCRLFQMILIE-YPMHNXCESA-N 1 1 312.326 0.444 20 5 DCBDMO Cc1cc(C(=O)NCC[N@H+]2CC[C@H](O)C2)c(N)c([N+](=O)[O-])c1 ZINC000863831624 667187365 /nfs/dbraw/zinc/18/73/65/667187365.db2.gz LOXNUNZTPHKQDT-JTQLQIEISA-N 1 1 308.338 0.282 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000923415173 667530421 /nfs/dbraw/zinc/53/04/21/667530421.db2.gz QLYYKJGUPVXDJZ-MRVWCRGKSA-N 1 1 309.370 0.226 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889764668 667993336 /nfs/dbraw/zinc/99/33/36/667993336.db2.gz SUPCNPSILUWLSP-ZIAGYGMSSA-N 1 1 320.349 0.661 20 5 DCBDMO CCn1cc([N+](=O)[O-])c(C(=O)OCCC[NH+]2CCOCC2)n1 ZINC000755574151 668062487 /nfs/dbraw/zinc/06/24/87/668062487.db2.gz JMJCFHVMFGPXEL-UHFFFAOYSA-N 1 1 312.326 0.690 20 5 DCBDMO C[N@H+](CC(=O)OCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCSC1 ZINC000767112159 668560286 /nfs/dbraw/zinc/56/02/86/668560286.db2.gz OXQUDNVYGZLQTJ-SNVBAGLBSA-N 1 1 314.367 0.772 20 5 DCBDMO C[N@@H+](CC(=O)OCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCSC1 ZINC000767112159 668560290 /nfs/dbraw/zinc/56/02/90/668560290.db2.gz OXQUDNVYGZLQTJ-SNVBAGLBSA-N 1 1 314.367 0.772 20 5 DCBDMO C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000928556888 668599313 /nfs/dbraw/zinc/59/93/13/668599313.db2.gz CTMMDBCNYMZTRP-IINYFYTJSA-N 1 1 318.333 0.908 20 5 DCBDMO C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000928556888 668599316 /nfs/dbraw/zinc/59/93/16/668599316.db2.gz CTMMDBCNYMZTRP-IINYFYTJSA-N 1 1 318.333 0.908 20 5 DCBDMO CNC(=O)c1cc(O[C@@H]2CCC[N@H+](CC[N+](=O)[O-])C2)ccn1 ZINC000930838131 669091141 /nfs/dbraw/zinc/09/11/41/669091141.db2.gz IISARHKMPAPMTF-GFCCVEGCSA-N 1 1 308.338 0.561 20 5 DCBDMO CNC(=O)c1cc(O[C@@H]2CCC[N@@H+](CC[N+](=O)[O-])C2)ccn1 ZINC000930838131 669091143 /nfs/dbraw/zinc/09/11/43/669091143.db2.gz IISARHKMPAPMTF-GFCCVEGCSA-N 1 1 308.338 0.561 20 5 DCBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000782615823 669111567 /nfs/dbraw/zinc/11/15/67/669111567.db2.gz GXMFFORZOHIDIK-KYOSRNDESA-N 1 1 308.334 0.649 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000932902582 669436183 /nfs/dbraw/zinc/43/61/83/669436183.db2.gz FQTLFROFKGWPLH-GFCCVEGCSA-N 1 1 309.370 0.900 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801950633 670146840 /nfs/dbraw/zinc/14/68/40/670146840.db2.gz YAGWFASKTIZANE-ZDUSSCGKSA-N 1 1 312.301 0.113 20 5 DCBDMO O=C1OC[C@H]2C[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000860165535 671186143 /nfs/dbraw/zinc/18/61/43/671186143.db2.gz XJCXBTDAHHNFIK-GRYCIOLGSA-N 1 1 322.317 0.439 20 5 DCBDMO O=C(Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000840461096 671269486 /nfs/dbraw/zinc/26/94/86/671269486.db2.gz BMROTAKGMHFDOQ-MGPQQGTHSA-N 1 1 305.334 0.857 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC000823791150 671409186 /nfs/dbraw/zinc/40/91/86/671409186.db2.gz YAOUJDFWHFNBKN-NEPJUHHUSA-N 1 1 307.354 0.510 20 5 DCBDMO C[C@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000827378425 671525533 /nfs/dbraw/zinc/52/55/33/671525533.db2.gz QWWZWCYWGOOGKB-LEWSCRJBSA-N 1 1 323.349 0.464 20 5 DCBDMO C[C@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000827378425 671525534 /nfs/dbraw/zinc/52/55/34/671525534.db2.gz QWWZWCYWGOOGKB-LEWSCRJBSA-N 1 1 323.349 0.464 20 5 DCBDMO O=[N+]([O-])c1c(N2CC([N@@H+]3CC[C@@H](O)C3)C2)nc2ccccn21 ZINC000845723559 672271617 /nfs/dbraw/zinc/27/16/17/672271617.db2.gz NZZJTFANYYFXNT-LLVKDONJSA-N 1 1 303.322 0.498 20 5 DCBDMO O=[N+]([O-])c1c(N2CC([N@H+]3CC[C@@H](O)C3)C2)nc2ccccn21 ZINC000845723559 672271619 /nfs/dbraw/zinc/27/16/19/672271619.db2.gz NZZJTFANYYFXNT-LLVKDONJSA-N 1 1 303.322 0.498 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC1)CC[NH+](CCO)CC2 ZINC000957548012 687079153 /nfs/dbraw/zinc/07/91/53/687079153.db2.gz WVLCQXTWGCMIEM-CHWSQXEVSA-N 1 1 311.382 0.349 20 5 DCBDMO O=C([O-])[C@@H]1C[NH2+]CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001601853346 1168916947 /nfs/dbraw/zinc/91/69/47/1168916947.db2.gz WGTHGTYBANMFBP-ZDUSSCGKSA-N 1 1 309.322 0.722 20 5 DCBDMO O=C([O-])[C@@H]1C[NH2+]CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001601853346 1168916949 /nfs/dbraw/zinc/91/69/49/1168916949.db2.gz WGTHGTYBANMFBP-ZDUSSCGKSA-N 1 1 309.322 0.722 20 5 DCBDMO C[N@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1 ZINC001604855357 1169711464 /nfs/dbraw/zinc/71/14/64/1169711464.db2.gz FJLLGZCZWBAGCM-ZETCQYMHSA-N 1 1 304.314 0.473 20 5 DCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1N[C@H]1Cc2c[nH+]cn2C1 ZINC001607079996 1170382106 /nfs/dbraw/zinc/38/21/06/1170382106.db2.gz FWONAUSLNMBBTA-QMMMGPOBSA-N 1 1 313.281 0.403 20 5 DCBDMO Cn1ncc([N+](=O)[O-])c1NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001611905038 1171358337 /nfs/dbraw/zinc/35/83/37/1171358337.db2.gz CJLPOBNEZKVKHQ-SNVBAGLBSA-N 1 1 310.358 0.328 20 5 DCBDMO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H]12 ZINC001618063314 1171394199 /nfs/dbraw/zinc/39/41/99/1171394199.db2.gz OLSYPBOJHUBFFI-AOOOYVTPSA-N 1 1 320.261 0.207 20 5 DCBDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H]12 ZINC001618063314 1171394204 /nfs/dbraw/zinc/39/42/04/1171394204.db2.gz OLSYPBOJHUBFFI-AOOOYVTPSA-N 1 1 320.261 0.207 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(c2nc[nH]n2)CC1 ZINC001619270035 1171401690 /nfs/dbraw/zinc/40/16/90/1171401690.db2.gz HHOQOKCDLUZAIJ-UHFFFAOYSA-N 1 1 306.330 0.040 20 5 DCBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3cnc(N)c([N+](=O)[O-])c3)C2)C1 ZINC001636640420 1171745270 /nfs/dbraw/zinc/74/52/70/1171745270.db2.gz VJXMLRCARDCQNU-CQSZACIVSA-N 1 1 305.338 0.740 20 5 DCBDMO Cc1nc([C@H]2CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)no1 ZINC001644489906 1172009977 /nfs/dbraw/zinc/00/99/77/1172009977.db2.gz WURZUAQHJFNGQM-NSHDSACASA-N 1 1 319.321 0.937 20 5 DCBDMO Cc1nc([C@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)no1 ZINC001644489906 1172009985 /nfs/dbraw/zinc/00/99/85/1172009985.db2.gz WURZUAQHJFNGQM-NSHDSACASA-N 1 1 319.321 0.937 20 5 DCBDMO C[N@H+]1C[C@@]2(C)CN(C(=O)c3cc([N+](=O)[O-])cnc3N)C[C@@]2(C)C1 ZINC001648020182 1173064231 /nfs/dbraw/zinc/06/42/31/1173064231.db2.gz XAODOVBDCKVUEY-GASCZTMLSA-N 1 1 319.365 0.986 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H](c3cnccn3)C2)c1 ZINC001655712531 1173826034 /nfs/dbraw/zinc/82/60/34/1173826034.db2.gz HJMVMCIWFGQPDK-AAEUAGOBSA-N 1 1 318.337 0.432 20 5 DCBDMO C[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001657265800 1173910866 /nfs/dbraw/zinc/91/08/66/1173910866.db2.gz TXJSXYXKQQIRCQ-SNVBAGLBSA-N 1 1 314.367 0.752 20 5 DCBDMO C[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001657265800 1173910868 /nfs/dbraw/zinc/91/08/68/1173910868.db2.gz TXJSXYXKQQIRCQ-SNVBAGLBSA-N 1 1 314.367 0.752 20 5 DCBDMO CC1(C)[C@H]2[C@H](CCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1O ZINC001659755517 1173935768 /nfs/dbraw/zinc/93/57/68/1173935768.db2.gz QWIPLYCNVAJINT-FQUUOJAGSA-N 1 1 324.381 0.634 20 5 DCBDMO CC1(C)CNC(=O)[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001660003998 1173938518 /nfs/dbraw/zinc/93/85/18/1173938518.db2.gz SDCGIPSROQEROO-LBPRGKRZSA-N 1 1 306.322 0.648 20 5 DCBDMO CC(C)[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccnn1C ZINC001664510501 1174436201 /nfs/dbraw/zinc/43/62/01/1174436201.db2.gz MHIPDOCKJATDIO-ZIAGYGMSSA-N 1 1 323.397 0.802 20 5 DCBDMO CC(C)[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccnn1C ZINC001664510501 1174436203 /nfs/dbraw/zinc/43/62/03/1174436203.db2.gz MHIPDOCKJATDIO-ZIAGYGMSSA-N 1 1 323.397 0.802 20 5 DCBDMO CC(C)[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccnn1C ZINC001664510501 1174436206 /nfs/dbraw/zinc/43/62/06/1174436206.db2.gz MHIPDOCKJATDIO-ZIAGYGMSSA-N 1 1 323.397 0.802 20 5 DCBDMO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001713591456 1180949632 /nfs/dbraw/zinc/94/96/32/1180949632.db2.gz NIZHGWDMTGQCPC-VXGBXAGGSA-N 1 1 308.338 0.303 20 5 DCBDMO O=C(NCCN1CC[NH+](CC2CCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001713805136 1181080586 /nfs/dbraw/zinc/08/05/86/1181080586.db2.gz AIILYFDTKCLEDX-ZIAGYGMSSA-N 1 1 310.398 0.186 20 5 DCBDMO NC(=O)C(=O)NCCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001752276798 1188410958 /nfs/dbraw/zinc/41/09/58/1188410958.db2.gz BHYLKMANWJVOHH-UHFFFAOYSA-N 1 1 320.349 0.551 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(CNC(=O)c2cn[nH]c2)CC1 ZINC001754507975 1188870562 /nfs/dbraw/zinc/87/05/62/1188870562.db2.gz LFVGWSXVRGMVGF-UHFFFAOYSA-N 1 1 319.325 0.104 20 5 DCBDMO COC(=O)c1cnc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000357711394 719384040 /nfs/dbraw/zinc/38/40/40/719384040.db2.gz UHNQIHOAVRIXAR-RYUDHWBXSA-N 1 1 322.321 0.296 20 5 DCBDMO C[N@H+]1CCO[C@H]2CN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)C[C@@H]21 ZINC001164669315 719415199 /nfs/dbraw/zinc/41/51/99/719415199.db2.gz LNIWAZZREQYZOS-RYUDHWBXSA-N 1 1 303.322 0.990 20 5 DCBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1ccc(F)cc1 ZINC001126936401 750148586 /nfs/dbraw/zinc/14/85/86/750148586.db2.gz GAALAVSUEBEGPV-VXGBXAGGSA-N 1 1 324.312 0.135 20 5 DCBDMO CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@H+]2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)O1 ZINC001169018952 760559258 /nfs/dbraw/zinc/55/92/58/760559258.db2.gz FRTHXUIETCMLNB-DHGKCCLASA-N 1 1 311.382 0.752 20 5 DCBDMO COC[C@@H]1c2nnn(C)c2CC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169023451 760560672 /nfs/dbraw/zinc/56/06/72/760560672.db2.gz UKTYROIDXXBKJI-NTZNESFSSA-N 1 1 309.370 0.806 20 5 DCBDMO COC[C@@H]1c2nnn(C)c2CC[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169023451 760560677 /nfs/dbraw/zinc/56/06/77/760560677.db2.gz UKTYROIDXXBKJI-NTZNESFSSA-N 1 1 309.370 0.806 20 5 DCBDMO CCOC(=O)C1(Nc2c[n+]([O-])ccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001169492489 760708344 /nfs/dbraw/zinc/70/83/44/760708344.db2.gz VARMJRYQFHLNSZ-UHFFFAOYSA-N 1 1 324.337 0.668 20 5 DCBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001133923230 765233409 /nfs/dbraw/zinc/23/34/09/765233409.db2.gz DJCJCUCRYMXHIV-LLVKDONJSA-N 1 1 316.321 0.609 20 5 DCBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001133923230 765233414 /nfs/dbraw/zinc/23/34/14/765233414.db2.gz DJCJCUCRYMXHIV-LLVKDONJSA-N 1 1 316.321 0.609 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)n1 ZINC001144919557 767254647 /nfs/dbraw/zinc/25/46/47/767254647.db2.gz ZHYTVQGBNVUFPH-GFCCVEGCSA-N 1 1 306.322 0.189 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)n1 ZINC001144919557 767254649 /nfs/dbraw/zinc/25/46/49/767254649.db2.gz ZHYTVQGBNVUFPH-GFCCVEGCSA-N 1 1 306.322 0.189 20 5 DCBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1CC[N@H+](C)C1 ZINC001120936439 767317105 /nfs/dbraw/zinc/31/71/05/767317105.db2.gz OVJCGVHPTHPUIE-NSHDSACASA-N 1 1 320.349 0.970 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1ccc(F)cc1 ZINC001122604423 767840511 /nfs/dbraw/zinc/84/05/11/767840511.db2.gz ALHLPGKWHALQJZ-UHFFFAOYSA-N 1 1 321.312 0.987 20 5 DCBDMO O=C(C[NH+]1CCCC1)NCCNCc1csc([N+](=O)[O-])c1 ZINC001151113915 769265433 /nfs/dbraw/zinc/26/54/33/769265433.db2.gz AZIFTPREJJNAMH-UHFFFAOYSA-N 1 1 312.395 0.958 20 5 DCBDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(CC(N)=O)CC1 ZINC001173232805 769568331 /nfs/dbraw/zinc/56/83/31/769568331.db2.gz HYZIDSWHNATJTR-LBPRGKRZSA-N 1 1 306.366 0.629 20 5 DCBDMO O=c1cc(CNc2cccc([N+](=O)[O-])n2)nc2n1CCC[NH2+]C2 ZINC001155487742 770522466 /nfs/dbraw/zinc/52/24/66/770522466.db2.gz OGKIKDCCMPLQMX-UHFFFAOYSA-N 1 1 316.321 0.652 20 5 DCBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC3(C2)C[NH+](C)C3)n1 ZINC001158869156 771830466 /nfs/dbraw/zinc/83/04/66/771830466.db2.gz XGQBBGGBQYJOSE-UHFFFAOYSA-N 1 1 306.326 0.403 20 5 DCBDMO CC1(C)[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)C[C@@H]1[NH+]1CCOCC1 ZINC001186791083 772091317 /nfs/dbraw/zinc/09/13/17/772091317.db2.gz KEDUJEHTCUPKBF-QWRGUYRKSA-N 1 1 322.369 0.878 20 5 DCBDMO CC(C)(C)OC(=O)[C@@H]([NH3+])C1CN(c2ncc([N+](=O)[O-])cc2N)C1 ZINC001163123488 772468244 /nfs/dbraw/zinc/46/82/44/772468244.db2.gz HEPLGFMLDIJLSX-NSHDSACASA-N 1 1 323.353 0.677 20 5 DCBDMO COC(=O)C1([NH3+])CCN(c2nc(C)cc(OC)c2[N+](=O)[O-])CC1 ZINC001166796725 772861387 /nfs/dbraw/zinc/86/13/87/772861387.db2.gz AAYZDRIUVPAVKD-UHFFFAOYSA-N 1 1 324.337 0.778 20 5 DCBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)NCC[N@H+]1CCCOCC1 ZINC001216481332 774118149 /nfs/dbraw/zinc/11/81/49/774118149.db2.gz ZVKNUTXNYPGNQJ-UHFFFAOYSA-N 1 1 323.353 0.564 20 5 DCBDMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCc1ccnn1C ZINC001480974047 939507778 /nfs/dbraw/zinc/50/77/78/939507778.db2.gz DTTWAHKMZJVTIQ-CHWSQXEVSA-N 1 1 309.370 0.066 20 5 DCBDMO CC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCc1ccnn1C ZINC001480974047 939507780 /nfs/dbraw/zinc/50/77/80/939507780.db2.gz DTTWAHKMZJVTIQ-CHWSQXEVSA-N 1 1 309.370 0.066 20 5 DCBDMO CC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCc1ccnn1C ZINC001480974047 939507783 /nfs/dbraw/zinc/50/77/83/939507783.db2.gz DTTWAHKMZJVTIQ-CHWSQXEVSA-N 1 1 309.370 0.066 20 5 DCBDMO CCc1nocc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001269411267 940701475 /nfs/dbraw/zinc/70/14/75/940701475.db2.gz AEVQWQUCMPLTNK-ZYHUDNBSSA-N 1 1 308.338 0.641 20 5 DCBDMO COCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001491313550 943910534 /nfs/dbraw/zinc/91/05/34/943910534.db2.gz GFTSGZZTAIJNLI-RGDJUOJXSA-N 1 1 311.382 0.515 20 5 DCBDMO COCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001491313550 943910537 /nfs/dbraw/zinc/91/05/37/943910537.db2.gz GFTSGZZTAIJNLI-RGDJUOJXSA-N 1 1 311.382 0.515 20 5 DCBDMO COCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001491313550 943910541 /nfs/dbraw/zinc/91/05/41/943910541.db2.gz GFTSGZZTAIJNLI-RGDJUOJXSA-N 1 1 311.382 0.515 20 5 DCBDMO CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cnn(C)c1 ZINC001317540397 945034427 /nfs/dbraw/zinc/03/44/27/945034427.db2.gz JAZUMHOBGFVAGE-CHWSQXEVSA-N 1 1 309.370 0.414 20 5 DCBDMO [NH3+]Cc1nnn(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001254467055 946397391 /nfs/dbraw/zinc/39/73/91/946397391.db2.gz URGBASKPKSVAKK-UHFFFAOYSA-N 1 1 303.326 0.882 20 5 DCBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCC[N@H+]1CC=CCC1 ZINC001321619033 946399356 /nfs/dbraw/zinc/39/93/56/946399356.db2.gz NQRCBHQUDFODEF-UHFFFAOYSA-N 1 1 306.322 0.135 20 5 DCBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCC[N@@H+]1CC=CCC1 ZINC001321619033 946399366 /nfs/dbraw/zinc/39/93/66/946399366.db2.gz NQRCBHQUDFODEF-UHFFFAOYSA-N 1 1 306.322 0.135 20 5 DCBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(CC(N)=O)CC1 ZINC001254560922 946410727 /nfs/dbraw/zinc/41/07/27/946410727.db2.gz ZSBZUYFGYGMDOA-GFCCVEGCSA-N 1 1 306.366 0.629 20 5 DCBDMO CCOC(=O)[C@H]1C[NH2+]CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC001326539373 948192841 /nfs/dbraw/zinc/19/28/41/948192841.db2.gz NIBBMPJGYXQTBX-CYBMUJFWSA-N 1 1 309.322 0.637 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001330487016 950448450 /nfs/dbraw/zinc/44/84/50/950448450.db2.gz IPIVITCIKKOHQH-VXGBXAGGSA-N 1 1 306.322 0.271 20 5 DCBDMO Cc1nn(C)c(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC001331612656 951194131 /nfs/dbraw/zinc/19/41/31/951194131.db2.gz MGWHJIDMJZEOCH-KOLCDFICSA-N 1 1 324.385 0.001 20 5 DCBDMO C[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)N1CCN(C)CC1 ZINC001335368685 952526665 /nfs/dbraw/zinc/52/66/65/952526665.db2.gz RRZULZFRBWZXNU-CZUORRHYSA-N 1 1 322.409 0.854 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCc3[nH]cnc3C2)c1 ZINC001348973506 954552889 /nfs/dbraw/zinc/55/28/89/954552889.db2.gz SCZVUJJTFIYHMF-ONGXEEELSA-N 1 1 306.326 0.022 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(c3nc[nH]n3)CC2)c1 ZINC001354498013 956408704 /nfs/dbraw/zinc/40/87/04/956408704.db2.gz DRWKGWVHSNJAOB-LBPRGKRZSA-N 1 1 321.341 0.150 20 5 DCBDMO C[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCN1C ZINC001293743924 957422807 /nfs/dbraw/zinc/42/28/07/957422807.db2.gz FPFKVPCNAPNOHO-QMTHXVAHSA-N 1 1 321.381 0.541 20 5 DCBDMO C[N@@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)C[C@@H]1CO ZINC001302339529 960019869 /nfs/dbraw/zinc/01/98/69/960019869.db2.gz HBUHLNOFUUXIBK-LLVKDONJSA-N 1 1 318.333 0.825 20 5 DCBDMO C[N@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)C[C@@H]1CO ZINC001302339529 960019872 /nfs/dbraw/zinc/01/98/72/960019872.db2.gz HBUHLNOFUUXIBK-LLVKDONJSA-N 1 1 318.333 0.825 20 5 DCBDMO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC[C@@]1(CO)COCC[NH2+]1 ZINC001302504403 960024791 /nfs/dbraw/zinc/02/47/91/960024791.db2.gz RUYWWJVAZSVIGK-OMVNSRBRSA-N 1 1 321.333 0.075 20 5 DCBDMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001303376274 960049087 /nfs/dbraw/zinc/04/90/87/960049087.db2.gz CWIBCRCBXQMGGH-HZSPNIEDSA-N 1 1 323.349 0.200 20 5 DCBDMO C[C@H]1C[N@H+](C2CC2)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC001306859899 960134674 /nfs/dbraw/zinc/13/46/74/960134674.db2.gz USORDNPAZIBZQB-NSHDSACASA-N 1 1 307.354 0.877 20 5 DCBDMO CON1CC[C@H]([N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC001307546721 960153345 /nfs/dbraw/zinc/15/33/45/960153345.db2.gz YQOSKUGRXDSGNI-PWSUYJOCSA-N 1 1 321.337 0.638 20 5 DCBDMO CON1CC[C@H]([N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC001307546721 960153350 /nfs/dbraw/zinc/15/33/50/960153350.db2.gz YQOSKUGRXDSGNI-PWSUYJOCSA-N 1 1 321.337 0.638 20 5 DCBDMO CC[N@@H+](CCCO)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001505396993 1016210605 /nfs/dbraw/zinc/21/06/05/1016210605.db2.gz YVXULEUMUBRTLR-ZIAGYGMSSA-N 1 1 313.398 0.595 20 5 DCBDMO CC[N@H+](CCCO)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001505396993 1016210609 /nfs/dbraw/zinc/21/06/09/1016210609.db2.gz YVXULEUMUBRTLR-ZIAGYGMSSA-N 1 1 313.398 0.595 20 5 DCBDMO CC[N@@H+](CCCO)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001505396993 1016210617 /nfs/dbraw/zinc/21/06/17/1016210617.db2.gz YVXULEUMUBRTLR-ZIAGYGMSSA-N 1 1 313.398 0.595 20 5 DCBDMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001556895179 1012237982 /nfs/dbraw/zinc/23/79/82/1012237982.db2.gz JNTHUQUXKYZTCI-RNCFNFMXSA-N 1 1 305.338 0.504 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](c3ncccn3)C2)c1 ZINC001460853408 1012980213 /nfs/dbraw/zinc/98/02/13/1012980213.db2.gz BXIFZVKUQZQIIY-WCQYABFASA-N 1 1 318.337 0.432 20 5 DCBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)C(N)=O ZINC000295599958 529943427 /nfs/dbraw/zinc/94/34/27/529943427.db2.gz CEUZYLBBYBVXLR-SNVBAGLBSA-N 1 1 311.338 0.530 20 5 DCBDMO C[C@H]1C[N@@H+](C)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000330789401 232070590 /nfs/dbraw/zinc/07/05/90/232070590.db2.gz BFKLTQVDTZPDEB-QWHCGFSZSA-N 1 1 309.366 0.970 20 5 DCBDMO C[C@H]1CN(C)CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000330789401 232070594 /nfs/dbraw/zinc/07/05/94/232070594.db2.gz BFKLTQVDTZPDEB-QWHCGFSZSA-N 1 1 309.366 0.970 20 5 DCBDMO C[C@H]1CN(C)CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000330789401 232070602 /nfs/dbraw/zinc/07/06/02/232070602.db2.gz BFKLTQVDTZPDEB-QWHCGFSZSA-N 1 1 309.366 0.970 20 5 DCBDMO NC(=O)[C@@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC[NH2+]1 ZINC000278182733 283327584 /nfs/dbraw/zinc/32/75/84/283327584.db2.gz DFVIQUFXOGYPES-LURJTMIESA-N 1 1 319.243 0.272 20 5 DCBDMO CNC(=O)[C@]1(C)CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000281351717 216241210 /nfs/dbraw/zinc/24/12/10/216241210.db2.gz ZRYJIKYRBFNLJB-OAHLLOKOSA-N 1 1 320.349 0.991 20 5 DCBDMO CNC(=O)[C@]1(C)CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000281351717 216241212 /nfs/dbraw/zinc/24/12/12/216241212.db2.gz ZRYJIKYRBFNLJB-OAHLLOKOSA-N 1 1 320.349 0.991 20 5 DCBDMO CO[C@@H]1COC[C@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000566618337 291315150 /nfs/dbraw/zinc/31/51/50/291315150.db2.gz FORFBMLNMMOFKZ-MGPQQGTHSA-N 1 1 321.333 0.704 20 5 DCBDMO C[C@H]1C[NH2+]CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420425535 240027301 /nfs/dbraw/zinc/02/73/01/240027301.db2.gz UUMIKZLTBROCKW-NSHDSACASA-N 1 1 313.379 0.761 20 5 DCBDMO NC(=O)c1cccc([N+](=O)[O-])c1NCCC[NH+]1CCOCC1 ZINC000420588527 240047742 /nfs/dbraw/zinc/04/77/42/240047742.db2.gz QTWDGCWPRDFCJD-UHFFFAOYSA-N 1 1 308.338 0.828 20 5 DCBDMO Cc1cc(N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)ncc1[N+](=O)[O-] ZINC000569337099 291474029 /nfs/dbraw/zinc/47/40/29/291474029.db2.gz BVTPHKGBQVAJOW-GFCCVEGCSA-N 1 1 319.365 0.699 20 5 DCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000264752918 204129263 /nfs/dbraw/zinc/12/92/63/204129263.db2.gz RMLMBMHGCLYICF-AWEZNQCLSA-N 1 1 321.381 0.640 20 5 DCBDMO Cc1nn(C)c(C(=O)N2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000264894975 204247769 /nfs/dbraw/zinc/24/77/69/204247769.db2.gz FXUPLRBKIZHVQQ-UHFFFAOYSA-N 1 1 307.354 0.947 20 5 DCBDMO COc1ccc(OCC[N@H+]2C[C@@H](O)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC000274073473 211329112 /nfs/dbraw/zinc/32/91/12/211329112.db2.gz CPOZRRJYTUTABS-QWRGUYRKSA-N 1 1 312.322 0.410 20 5 DCBDMO Cn1cc([C@H](CO)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000273967085 211222593 /nfs/dbraw/zinc/22/25/93/211222593.db2.gz GJOZKMYCRLOCNR-LBPRGKRZSA-N 1 1 319.321 0.590 20 5 DCBDMO O=C(C[N@@H+](CCO)CCCO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000109798122 194286265 /nfs/dbraw/zinc/28/62/65/194286265.db2.gz SKIVPKFEYSIGHL-UHFFFAOYSA-N 1 1 323.349 0.161 20 5 DCBDMO O=C(C[N@H+](CCO)CCCO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000109798122 194286267 /nfs/dbraw/zinc/28/62/67/194286267.db2.gz SKIVPKFEYSIGHL-UHFFFAOYSA-N 1 1 323.349 0.161 20 5 DCBDMO C[N@H+]1CC[C@@H](CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000109848446 194293057 /nfs/dbraw/zinc/29/30/57/194293057.db2.gz CRRVFIGRHLDHKV-NSHDSACASA-N 1 1 320.349 0.393 20 5 DCBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)nc1 ZINC000340694064 253292171 /nfs/dbraw/zinc/29/21/71/253292171.db2.gz AGEUUBOTLOTSLK-CYBMUJFWSA-N 1 1 321.381 0.808 20 5 DCBDMO COCC[N@H+]1CC[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000340999950 253334300 /nfs/dbraw/zinc/33/43/00/253334300.db2.gz XUEUBWBQEGKIAY-LBPRGKRZSA-N 1 1 322.365 0.844 20 5 DCBDMO C[N@H+]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000272962855 210348075 /nfs/dbraw/zinc/34/80/75/210348075.db2.gz STLJFVHCVAGOOM-CYBMUJFWSA-N 1 1 309.366 0.972 20 5 DCBDMO CN1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000272962855 210348080 /nfs/dbraw/zinc/34/80/80/210348080.db2.gz STLJFVHCVAGOOM-CYBMUJFWSA-N 1 1 309.366 0.972 20 5 DCBDMO CN1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000272962855 210348083 /nfs/dbraw/zinc/34/80/83/210348083.db2.gz STLJFVHCVAGOOM-CYBMUJFWSA-N 1 1 309.366 0.972 20 5 DCBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000351252434 254335003 /nfs/dbraw/zinc/33/50/03/254335003.db2.gz KDYDJUPJPSATJT-VIFPVBQESA-N 1 1 309.326 0.023 20 5 DCBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CCO)C[C@H](C)O ZINC000351959629 254384837 /nfs/dbraw/zinc/38/48/37/254384837.db2.gz ROPXEDGVRZDZSH-NSHDSACASA-N 1 1 311.338 0.517 20 5 DCBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](CCO)C[C@H](C)O ZINC000351959629 254384838 /nfs/dbraw/zinc/38/48/38/254384838.db2.gz ROPXEDGVRZDZSH-NSHDSACASA-N 1 1 311.338 0.517 20 5 DCBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CCO)C[C@@H](C)O ZINC000351959628 254384918 /nfs/dbraw/zinc/38/49/18/254384918.db2.gz ROPXEDGVRZDZSH-LLVKDONJSA-N 1 1 311.338 0.517 20 5 DCBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](CCO)C[C@@H](C)O ZINC000351959628 254384920 /nfs/dbraw/zinc/38/49/20/254384920.db2.gz ROPXEDGVRZDZSH-LLVKDONJSA-N 1 1 311.338 0.517 20 5 DCBDMO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000122271715 132162634 /nfs/dbraw/zinc/16/26/34/132162634.db2.gz VEKSLDJBAPNRKO-QWRGUYRKSA-N 1 1 307.354 0.953 20 5 DCBDMO C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000122271715 132162635 /nfs/dbraw/zinc/16/26/35/132162635.db2.gz VEKSLDJBAPNRKO-QWRGUYRKSA-N 1 1 307.354 0.953 20 5 DCBDMO CC[N@@H+](C)CCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000091461497 395725535 /nfs/dbraw/zinc/72/55/35/395725535.db2.gz AGNKQYSGPZTXLD-UHFFFAOYSA-N 1 1 302.356 0.606 20 5 DCBDMO Cn1cc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093483472 395738324 /nfs/dbraw/zinc/73/83/24/395738324.db2.gz DXDICZAVLNKUPK-OKILXGFUSA-N 1 1 318.333 0.533 20 5 DCBDMO CS[C@@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000270795314 395809410 /nfs/dbraw/zinc/80/94/10/395809410.db2.gz VSXOTQLWWSXOHO-RKDXNWHRSA-N 1 1 313.383 0.744 20 5 DCBDMO COCC[N@H+]1CC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000272493864 395895107 /nfs/dbraw/zinc/89/51/07/395895107.db2.gz RYVBTTCORXFFTL-JTQLQIEISA-N 1 1 308.338 0.628 20 5 DCBDMO CC[NH+]1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000068227203 396049859 /nfs/dbraw/zinc/04/98/59/396049859.db2.gz ZPVDESCILOBFMB-UHFFFAOYSA-N 1 1 321.333 0.950 20 5 DCBDMO CNS(=O)(=O)[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000155915568 396059238 /nfs/dbraw/zinc/05/92/38/396059238.db2.gz DFVBYCDYDKQHOI-ZDUSSCGKSA-N 1 1 313.379 0.761 20 5 DCBDMO C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000156972428 396062508 /nfs/dbraw/zinc/06/25/08/396062508.db2.gz UMRIWKXRVUUPMJ-RISCZKNCSA-N 1 1 323.349 0.809 20 5 DCBDMO C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000156972428 396062510 /nfs/dbraw/zinc/06/25/10/396062510.db2.gz UMRIWKXRVUUPMJ-RISCZKNCSA-N 1 1 323.349 0.809 20 5 DCBDMO CC(C)(C)C[N@@H+](CCO)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075718169 396186140 /nfs/dbraw/zinc/18/61/40/396186140.db2.gz HTRISPTVMVJGIE-LBPRGKRZSA-N 1 1 300.359 0.493 20 5 DCBDMO C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000077817763 396234254 /nfs/dbraw/zinc/23/42/54/396234254.db2.gz MGKYGQYNMYFLJT-SNVBAGLBSA-N 1 1 306.322 0.601 20 5 DCBDMO CCCCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(N)=O ZINC000183041594 396259933 /nfs/dbraw/zinc/25/99/33/396259933.db2.gz FZCLBMNTSXDNCR-UHFFFAOYSA-N 1 1 310.354 0.734 20 5 DCBDMO CCCCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(N)=O ZINC000183041594 396259936 /nfs/dbraw/zinc/25/99/36/396259936.db2.gz FZCLBMNTSXDNCR-UHFFFAOYSA-N 1 1 310.354 0.734 20 5 DCBDMO Cn1cc(C[N@@H+]2CCCN(c3c([N+](=O)[O-])ncn3C)CC2)cn1 ZINC000264339173 396272791 /nfs/dbraw/zinc/27/27/91/396272791.db2.gz PGJHTTBQZUVKEM-UHFFFAOYSA-N 1 1 319.369 0.774 20 5 DCBDMO Cn1cc(C[N@H+]2CCCN(c3c([N+](=O)[O-])ncn3C)CC2)cn1 ZINC000264339173 396272793 /nfs/dbraw/zinc/27/27/93/396272793.db2.gz PGJHTTBQZUVKEM-UHFFFAOYSA-N 1 1 319.369 0.774 20 5 DCBDMO C[C@@H](NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000180404791 396233173 /nfs/dbraw/zinc/23/31/73/396233173.db2.gz HQGGDGOQOSUWGY-GHMZBOCLSA-N 1 1 322.365 0.838 20 5 DCBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000184340750 396291219 /nfs/dbraw/zinc/29/12/19/396291219.db2.gz QFTWEWMRWBBWSC-UHFFFAOYSA-N 1 1 317.367 0.187 20 5 DCBDMO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)c1[N+](=O)[O-] ZINC000264616964 396295903 /nfs/dbraw/zinc/29/59/03/396295903.db2.gz POGIXVNZNZZDTJ-SECBINFHSA-N 1 1 311.342 0.331 20 5 DCBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](CCO)CCCO)c1 ZINC000264646442 396299044 /nfs/dbraw/zinc/29/90/44/396299044.db2.gz WYYWMDALZZKBBE-CYBMUJFWSA-N 1 1 314.338 0.011 20 5 DCBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000269634474 396431252 /nfs/dbraw/zinc/43/12/52/396431252.db2.gz QBABFYHJJCCCIG-GFCCVEGCSA-N 1 1 322.365 0.605 20 5 DCBDMO COCCC[N@@H+](C)CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290815803 396473214 /nfs/dbraw/zinc/47/32/14/396473214.db2.gz RUBIIUYYVJALQN-UHFFFAOYSA-N 1 1 311.342 0.469 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000372155305 396493090 /nfs/dbraw/zinc/49/30/90/396493090.db2.gz KAIJSFSXEGJTQV-MBNYWOFBSA-N 1 1 310.354 0.511 20 5 DCBDMO O=C1CC[C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)CC[C@H]2N1 ZINC000595729890 396652751 /nfs/dbraw/zinc/65/27/51/396652751.db2.gz WEXZYUTZODICTK-WCQYABFASA-N 1 1 320.349 0.357 20 5 DCBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cnc3N)[C@H]2C1 ZINC000373395079 396588245 /nfs/dbraw/zinc/58/82/45/396588245.db2.gz SWUFBSOVGMPVDD-SKDRFNHKSA-N 1 1 305.338 0.738 20 5 DCBDMO Cc1noc(CN2CCN(c3[nH+]ccn3C)CC2)c1[N+](=O)[O-] ZINC000595388401 396600610 /nfs/dbraw/zinc/60/06/10/396600610.db2.gz VCYXFHZCTPQPFG-UHFFFAOYSA-N 1 1 306.326 0.947 20 5 DCBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)C[C@H]2C1 ZINC000562352077 396658962 /nfs/dbraw/zinc/65/89/62/396658962.db2.gz YAZRGGSHPKGOAR-AOOOYVTPSA-N 1 1 319.317 0.957 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000562560736 396670239 /nfs/dbraw/zinc/67/02/39/396670239.db2.gz PWWBLOBFZQYXAX-LLVKDONJSA-N 1 1 310.354 0.510 20 5 DCBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588863630 396696148 /nfs/dbraw/zinc/69/61/48/396696148.db2.gz RXSIZFFWKQIXIM-VXGBXAGGSA-N 1 1 305.334 0.876 20 5 DCBDMO CCNC(=O)C[N@@H+]1CCCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596073597 396714808 /nfs/dbraw/zinc/71/48/08/396714808.db2.gz NJYQKXBRHBVNTG-UHFFFAOYSA-N 1 1 323.353 0.344 20 5 DCBDMO CCNC(=O)C[N@H+]1CCCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596073597 396714813 /nfs/dbraw/zinc/71/48/13/396714813.db2.gz NJYQKXBRHBVNTG-UHFFFAOYSA-N 1 1 323.353 0.344 20 5 DCBDMO C[C@@H]1[C@H](O)CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000590762190 396835917 /nfs/dbraw/zinc/83/59/17/396835917.db2.gz ORZIYULWZVNGGK-QMTHXVAHSA-N 1 1 305.334 0.939 20 5 DCBDMO C[C@@H]1[C@H](O)CC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000590762190 396835920 /nfs/dbraw/zinc/83/59/20/396835920.db2.gz ORZIYULWZVNGGK-QMTHXVAHSA-N 1 1 305.334 0.939 20 5 DCBDMO CC[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000611088505 396814977 /nfs/dbraw/zinc/81/49/77/396814977.db2.gz ZZGMXHJUEMPLGR-LLVKDONJSA-N 1 1 308.338 0.309 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000611100908 396816443 /nfs/dbraw/zinc/81/64/43/396816443.db2.gz PXQCRMLBKCIJRM-LLVKDONJSA-N 1 1 322.369 0.247 20 5 DCBDMO O=C(COc1cccc([N+](=O)[O-])c1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000600808678 396948283 /nfs/dbraw/zinc/94/82/83/396948283.db2.gz OWDXRLCTHTZNOE-LBPRGKRZSA-N 1 1 309.322 0.156 20 5 DCBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000618374534 396973153 /nfs/dbraw/zinc/97/31/53/396973153.db2.gz AQKXLBZOCZHIBD-NSHDSACASA-N 1 1 324.337 0.536 20 5 DCBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000592205228 397128140 /nfs/dbraw/zinc/12/81/40/397128140.db2.gz VTOJCYWOBUSAPY-DGCLKSJQSA-N 1 1 324.333 0.829 20 5 DCBDMO CCCc1[nH]nc(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000592306216 397148543 /nfs/dbraw/zinc/14/85/43/397148543.db2.gz CRGMXLUSYMNNGB-PSASIEDQSA-N 1 1 311.342 0.459 20 5 DCBDMO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000592308515 397149827 /nfs/dbraw/zinc/14/98/27/397149827.db2.gz NMBBFDOYJKANKE-UFBFGSQYSA-N 1 1 319.321 0.659 20 5 DCBDMO CCCc1[nH]nc(C(=O)N2CCCO[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000592342839 397156628 /nfs/dbraw/zinc/15/66/28/397156628.db2.gz HWOXULMLYNPFRJ-SECBINFHSA-N 1 1 311.342 0.460 20 5 DCBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000573337517 397160232 /nfs/dbraw/zinc/16/02/32/397160232.db2.gz RZCYXJIJTJQEOG-UHFFFAOYSA-N 1 1 317.309 0.258 20 5 DCBDMO CCCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CC[N@@H+](C)C1 ZINC000592832194 397260310 /nfs/dbraw/zinc/26/03/10/397260310.db2.gz SUAUVWMGSLVCKX-GFCCVEGCSA-N 1 1 322.365 0.699 20 5 DCBDMO CNC(=O)c1ccc(NCC[N@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000599175722 397353461 /nfs/dbraw/zinc/35/34/61/397353461.db2.gz JMUNCKWNMNXHFV-LLVKDONJSA-N 1 1 308.338 0.433 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000602821127 397495093 /nfs/dbraw/zinc/49/50/93/397495093.db2.gz LEAGRRMOOHQLJO-FZMZJTMJSA-N 1 1 310.354 0.980 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000602821127 397495096 /nfs/dbraw/zinc/49/50/96/397495096.db2.gz LEAGRRMOOHQLJO-FZMZJTMJSA-N 1 1 310.354 0.980 20 5 DCBDMO CCC(O)(CC)C[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599673421 397502736 /nfs/dbraw/zinc/50/27/36/397502736.db2.gz NQHYKHCVYVSKBX-GFCCVEGCSA-N 1 1 300.359 0.635 20 5 DCBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000579343410 397553525 /nfs/dbraw/zinc/55/35/25/397553525.db2.gz ZYAIJMXOXPHDSV-CYBMUJFWSA-N 1 1 316.321 0.359 20 5 DCBDMO C[NH+]1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000604484878 397641029 /nfs/dbraw/zinc/64/10/29/397641029.db2.gz HHDJIFPWCMSOEQ-UHFFFAOYSA-N 1 1 321.337 0.490 20 5 DCBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000126324450 158265422 /nfs/dbraw/zinc/26/54/22/158265422.db2.gz GJPFXPKSWLUHEZ-GFCCVEGCSA-N 1 1 324.385 0.957 20 5 DCBDMO CC(C)(O)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000323067689 159012325 /nfs/dbraw/zinc/01/23/25/159012325.db2.gz MXDSQMJEAZMSBG-UHFFFAOYSA-N 1 1 323.353 0.101 20 5 DCBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)Nc1ccncc1[N+](=O)[O-] ZINC000367908555 159364353 /nfs/dbraw/zinc/36/43/53/159364353.db2.gz VWACOKJURKVNQG-QWRGUYRKSA-N 1 1 321.337 0.396 20 5 DCBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCCOCC2)n1 ZINC000331589038 415142470 /nfs/dbraw/zinc/14/24/70/415142470.db2.gz XOIQFOCFSJNTTQ-UHFFFAOYSA-N 1 1 311.342 0.263 20 5 DCBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCCOCC2)n1 ZINC000331589038 415142476 /nfs/dbraw/zinc/14/24/76/415142476.db2.gz XOIQFOCFSJNTTQ-UHFFFAOYSA-N 1 1 311.342 0.263 20 5 DCBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000268146257 415166382 /nfs/dbraw/zinc/16/63/82/415166382.db2.gz FDDQZUNDVIHAED-GWCFXTLKSA-N 1 1 320.349 0.355 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000268235251 415183577 /nfs/dbraw/zinc/18/35/77/415183577.db2.gz NWOWYESAALVYBY-BXKDBHETSA-N 1 1 307.354 0.699 20 5 DCBDMO CS(=O)(=O)NCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439976 415497667 /nfs/dbraw/zinc/49/76/67/415497667.db2.gz ZDNZGUPVZNNJID-UHFFFAOYSA-N 1 1 307.759 0.887 20 5 DCBDMO COc1cc(C[NH2+]CC(=O)NCC(F)F)c([N+](=O)[O-])cc1O ZINC000280180113 415532727 /nfs/dbraw/zinc/53/27/27/415532727.db2.gz CHUGZULXHVSWKX-UHFFFAOYSA-N 1 1 319.264 0.780 20 5 DCBDMO CCNC(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000344422914 415912782 /nfs/dbraw/zinc/91/27/82/415912782.db2.gz CRNPMOFRSHVLJJ-UHFFFAOYSA-N 1 1 307.354 0.638 20 5 DCBDMO CCNC(=O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000344422914 415912789 /nfs/dbraw/zinc/91/27/89/415912789.db2.gz CRNPMOFRSHVLJJ-UHFFFAOYSA-N 1 1 307.354 0.638 20 5 DCBDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2c2ccc([N+](=O)[O-])nc2)CC1 ZINC000344428262 415914384 /nfs/dbraw/zinc/91/43/84/415914384.db2.gz GQIYBBFCULICAL-CYBMUJFWSA-N 1 1 319.365 0.733 20 5 DCBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000296444169 415928186 /nfs/dbraw/zinc/92/81/86/415928186.db2.gz NRTLWTMPAGCYBM-LLVKDONJSA-N 1 1 322.365 0.754 20 5 DCBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000344643680 415964501 /nfs/dbraw/zinc/96/45/01/415964501.db2.gz NDFKODRRKJTQKK-SNVBAGLBSA-N 1 1 310.358 0.423 20 5 DCBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@](F)(CO)C2)c1 ZINC000338586267 416111917 /nfs/dbraw/zinc/11/19/17/416111917.db2.gz DZLLIBHMUDRBAW-OCCSQVGLSA-N 1 1 314.313 0.741 20 5 DCBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@](F)(CO)C2)c1 ZINC000338586267 416111921 /nfs/dbraw/zinc/11/19/21/416111921.db2.gz DZLLIBHMUDRBAW-OCCSQVGLSA-N 1 1 314.313 0.741 20 5 DCBDMO COC(=O)c1cnc(NC[C@]2(O)CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000357687367 416115939 /nfs/dbraw/zinc/11/59/39/416115939.db2.gz VWEZQBKISXGPKT-CYBMUJFWSA-N 1 1 310.310 0.255 20 5 DCBDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357911370 416151543 /nfs/dbraw/zinc/15/15/43/416151543.db2.gz NYGXUNJKOYIYGI-JTQLQIEISA-N 1 1 311.342 0.169 20 5 DCBDMO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246965283 416332385 /nfs/dbraw/zinc/33/23/85/416332385.db2.gz VEKSLDJBAPNRKO-GHMZBOCLSA-N 1 1 307.354 0.953 20 5 DCBDMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246965283 416332386 /nfs/dbraw/zinc/33/23/86/416332386.db2.gz VEKSLDJBAPNRKO-GHMZBOCLSA-N 1 1 307.354 0.953 20 5 DCBDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000416498073 416372312 /nfs/dbraw/zinc/37/23/12/416372312.db2.gz VZJPJHJWUFOMNP-VIFPVBQESA-N 1 1 317.342 0.964 20 5 DCBDMO Nc1nc(N2CCC([NH+]3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000599103709 416607928 /nfs/dbraw/zinc/60/79/28/416607928.db2.gz JUNFXFNJVFJRHX-UHFFFAOYSA-N 1 1 308.342 0.268 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000609285192 416652932 /nfs/dbraw/zinc/65/29/32/416652932.db2.gz FDHFLPAPZMCOAC-JSGCOSHPSA-N 1 1 322.365 0.605 20 5 DCBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccnc(N)c3[N+](=O)[O-])CC[C@@H]21 ZINC000548714576 416691152 /nfs/dbraw/zinc/69/11/52/416691152.db2.gz XXDSEARAUUIWQS-JQWIXIFHSA-N 1 1 319.365 1.128 20 5 DCBDMO CNc1nccc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000551896272 416697008 /nfs/dbraw/zinc/69/70/08/416697008.db2.gz IMMJVHPXJAUOLK-CMPLNLGQSA-N 1 1 319.365 1.198 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(O)(C(F)F)CC1 ZINC000426254223 416757483 /nfs/dbraw/zinc/75/74/83/416757483.db2.gz GNXBNQPWSQBWGM-UHFFFAOYSA-N 1 1 317.292 0.849 20 5 DCBDMO CN(C)c1[nH+]cc(CNC(=O)c2cc([N+](=O)[O-])cn2C)n1C ZINC000522262677 417058963 /nfs/dbraw/zinc/05/89/63/417058963.db2.gz MRBIIRQBAAEWKD-UHFFFAOYSA-N 1 1 306.326 0.663 20 5 DCBDMO CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CC(N)=O ZINC000411620301 417193583 /nfs/dbraw/zinc/19/35/83/417193583.db2.gz MDMGGKIQGQVDAI-UHFFFAOYSA-N 1 1 324.337 0.739 20 5 DCBDMO Cc1nc(NC2CC[NH+](CC(=O)N(C)C)CC2)ncc1[N+](=O)[O-] ZINC000450326802 417216643 /nfs/dbraw/zinc/21/66/43/417216643.db2.gz ISMIDHHFFCSOPA-UHFFFAOYSA-N 1 1 322.369 0.658 20 5 DCBDMO COC(=O)Cc1ccc(NC[C@]2(O)CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000450439927 417226198 /nfs/dbraw/zinc/22/61/98/417226198.db2.gz PCDSSSYRUHOXMZ-OAHLLOKOSA-N 1 1 323.349 0.789 20 5 DCBDMO CNc1nccc(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000570411885 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COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NCC[N+](=O)[O-] ZINC000905313917 663545983 /nfs/dbraw/zinc/54/59/83/663545983.db2.gz MPZVAMGXJLYPFP-UHFFFAOYSA-N 1 1 322.365 0.771 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]CCc2ccns2)CC1 ZINC000996442014 666786734 /nfs/dbraw/zinc/78/67/34/666786734.db2.gz UIYCJHBVPSJAFA-CHWSQXEVSA-N 1 1 324.406 0.931 20 5 DCBDMO CCn1ncc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000863563857 667157827 /nfs/dbraw/zinc/15/78/27/667157827.db2.gz PVYHSYNWYFSIGS-CYBMUJFWSA-N 1 1 321.337 0.736 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000923357520 667513373 /nfs/dbraw/zinc/51/33/73/667513373.db2.gz XQJQYAYTAQQJSI-ZIAGYGMSSA-N 1 1 309.370 0.228 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000868422574 667570789 /nfs/dbraw/zinc/57/07/89/667570789.db2.gz SVSIYQZOCWUVNA-YPMHNXCESA-N 1 1 322.369 0.527 20 5 DCBDMO CCN1C(=O)[C@H]2C[N@H+](Cc3cccnc3[N+](=O)[O-])CCN2C1=O ZINC000886035457 667726003 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309.370 0.934 20 5 DCBDMO CN(C(=O)CN1CC[N@H+](C)[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000931407748 669195603 /nfs/dbraw/zinc/19/56/03/669195603.db2.gz XHGWJYAOGMSQFZ-CQSZACIVSA-N 1 1 322.365 0.166 20 5 DCBDMO CN(C(=O)CN1CC[N@@H+](C)[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000931407748 669195605 /nfs/dbraw/zinc/19/56/05/669195605.db2.gz XHGWJYAOGMSQFZ-CQSZACIVSA-N 1 1 322.365 0.166 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000932001805 669295628 /nfs/dbraw/zinc/29/56/28/669295628.db2.gz BRQYWMHDISIMOY-LLVKDONJSA-N 1 1 309.322 0.451 20 5 DCBDMO O=C(C[NH2+]C(CO)CO)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000846936651 670503324 /nfs/dbraw/zinc/50/33/24/670503324.db2.gz FDIUALMUQGFHDJ-UHFFFAOYSA-N 1 1 303.702 0.130 20 5 DCBDMO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000813740777 670649158 /nfs/dbraw/zinc/64/91/58/670649158.db2.gz HDNPWTDZIKYSKE-WCBMZHEXSA-N 1 1 317.392 0.981 20 5 DCBDMO C[N@H+]1C[C@@H]2CCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000813740777 670649159 /nfs/dbraw/zinc/64/91/59/670649159.db2.gz HDNPWTDZIKYSKE-WCBMZHEXSA-N 1 1 317.392 0.981 20 5 DCBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848306952 670666800 /nfs/dbraw/zinc/66/68/00/670666800.db2.gz MZTOIKDAQDGJPB-WDEREUQCSA-N 1 1 323.324 0.933 20 5 DCBDMO Nc1nccc(C(=O)OCCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000848786391 670727941 /nfs/dbraw/zinc/72/79/41/670727941.db2.gz GWJCZJPJPTZAHW-UHFFFAOYSA-N 1 1 310.310 0.451 20 5 DCBDMO O=C1CCC2=C(CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)N1 ZINC000852298486 671115318 /nfs/dbraw/zinc/11/53/18/671115318.db2.gz BPAQDVQUEHYSEO-GFCCVEGCSA-N 1 1 321.337 0.022 20 5 DCBDMO C[C@H](O)C[NH+]1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000823944872 671414058 /nfs/dbraw/zinc/41/40/58/671414058.db2.gz HADFYZONCXNTNF-JTQLQIEISA-N 1 1 323.353 0.707 20 5 DCBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000830871836 671644984 /nfs/dbraw/zinc/64/49/84/671644984.db2.gz OSSWFPYPXXMRGF-MRVWCRGKSA-N 1 1 324.333 0.484 20 5 DCBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000834593372 671772991 /nfs/dbraw/zinc/77/29/91/671772991.db2.gz PZPFOGYXZAYYAQ-RYUDHWBXSA-N 1 1 323.328 0.830 20 5 DCBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000837190764 671850837 /nfs/dbraw/zinc/85/08/37/671850837.db2.gz MBNOILKTDCUTRZ-RISCZKNCSA-N 1 1 323.349 0.153 20 5 DCBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000837190764 671850839 /nfs/dbraw/zinc/85/08/39/671850839.db2.gz MBNOILKTDCUTRZ-RISCZKNCSA-N 1 1 323.349 0.153 20 5 DCBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000843995361 672133049 /nfs/dbraw/zinc/13/30/49/672133049.db2.gz VPDOUFAKLSRVFQ-YFCVBGDOSA-N 1 1 317.345 0.885 20 5 DCBDMO C[NH+](C)[C@@H]1C[C@@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC001120520608 1159057784 /nfs/dbraw/zinc/05/77/84/1159057784.db2.gz YFICNNIKCZEFMH-JHJVBQTASA-N 1 1 311.386 0.471 20 5 DCBDMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001304661865 1159155539 /nfs/dbraw/zinc/15/55/39/1159155539.db2.gz PHSNCWODUNSHFM-CHWSQXEVSA-N 1 1 308.338 0.594 20 5 DCBDMO COCCC(=O)NCC1([NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001569387691 1161042087 /nfs/dbraw/zinc/04/20/87/1161042087.db2.gz RZPFNFJIYNFHOY-UHFFFAOYSA-N 1 1 311.342 0.103 20 5 DCBDMO C[C@@H](CCO)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001589834598 1166695572 /nfs/dbraw/zinc/69/55/72/1166695572.db2.gz OFBDATHLXKDRMC-VIFPVBQESA-N 1 1 306.326 0.978 20 5 DCBDMO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1CN1CCn2cc[nH+]c21 ZINC001593482678 1167869443 /nfs/dbraw/zinc/86/94/43/1167869443.db2.gz OVWGBVQCDXOCKD-UHFFFAOYSA-N 1 1 312.293 0.992 20 5 DCBDMO C[C@@H]1C[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC001620943555 1167960979 /nfs/dbraw/zinc/96/09/79/1167960979.db2.gz ATWFUJQDJCYXBS-GHMZBOCLSA-N 1 1 308.338 0.355 20 5 DCBDMO CC[N@@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[C@@H](C)CO ZINC001604319305 1169553820 /nfs/dbraw/zinc/55/38/20/1169553820.db2.gz FWGFVOXNRPALAB-VIFPVBQESA-N 1 1 306.326 0.978 20 5 DCBDMO C[C@](CO)([NH2+]CC(=O)NCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC001620495640 1171404517 /nfs/dbraw/zinc/40/45/17/1171404517.db2.gz VHJSIJRDVUQEDV-OAHLLOKOSA-N 1 1 307.350 0.918 20 5 DCBDMO Nc1ncc(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)cc1[N+](=O)[O-] ZINC001635741839 1171712419 /nfs/dbraw/zinc/71/24/19/1171712419.db2.gz ZMHSFMZYUSHJJK-GHMZBOCLSA-N 1 1 323.328 0.830 20 5 DCBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2N)C[C@H](C)[N@H+]1CCO ZINC001640853395 1171895125 /nfs/dbraw/zinc/89/51/25/1171895125.db2.gz QDIRUFZZOIVNAR-PHIMTYICSA-N 1 1 322.365 0.704 20 5 DCBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2N)C[C@H](C)[N@@H+]1CCO ZINC001640853395 1171895133 /nfs/dbraw/zinc/89/51/33/1171895133.db2.gz QDIRUFZZOIVNAR-PHIMTYICSA-N 1 1 322.365 0.704 20 5 DCBDMO Cc1c(CC(=O)N2CC([NH2+]C3COC3)C2)cccc1[N+](=O)[O-] ZINC001645774747 1172134589 /nfs/dbraw/zinc/13/45/89/1172134589.db2.gz SAFIAJQFLMOKIX-UHFFFAOYSA-N 1 1 305.334 0.645 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@@H](Nc3nccc(C(N)=O)c3[N+](=O)[O-])[C@@H]2C1 ZINC001651524641 1173750022 /nfs/dbraw/zinc/75/00/22/1173750022.db2.gz BWDZCIATFOZLIU-JMJZKYOTSA-N 1 1 305.338 0.841 20 5 DCBDMO CNC(=O)N[C@H]1CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC001654781472 1173811190 /nfs/dbraw/zinc/81/11/90/1173811190.db2.gz MIIRMNGTEJBKJL-NSHDSACASA-N 1 1 310.358 0.493 20 5 DCBDMO CCOCCC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001701047336 1178905032 /nfs/dbraw/zinc/90/50/32/1178905032.db2.gz BYOSVGXKPDGTKG-ZIAGYGMSSA-N 1 1 311.382 0.827 20 5 DCBDMO CCOCCC[N@H+]1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001701047336 1178905036 /nfs/dbraw/zinc/90/50/36/1178905036.db2.gz BYOSVGXKPDGTKG-ZIAGYGMSSA-N 1 1 311.382 0.827 20 5 DCBDMO CCOCCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001701047336 1178905039 /nfs/dbraw/zinc/90/50/39/1178905039.db2.gz BYOSVGXKPDGTKG-ZIAGYGMSSA-N 1 1 311.382 0.827 20 5 DCBDMO Cc1cc(C[N@@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ncn1 ZINC001707377811 1180469228 /nfs/dbraw/zinc/46/92/28/1180469228.db2.gz UWSNYGKJAZRLDV-CHWSQXEVSA-N 1 1 307.354 0.388 20 5 DCBDMO CC[N@@H+](CCCNC(=O)C(N)=O)Cc1cccc([N+](=O)[O-])c1 ZINC001731316018 1185261897 /nfs/dbraw/zinc/26/18/97/1185261897.db2.gz MSLLKNPJYOSQJZ-UHFFFAOYSA-N 1 1 308.338 0.408 20 5 DCBDMO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cn(C)nc1C ZINC001753082050 1188493207 /nfs/dbraw/zinc/49/32/07/1188493207.db2.gz ZYLHNBYGHSSZPO-CHWSQXEVSA-N 1 1 309.370 0.332 20 5 DCBDMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cn(C)nc1C ZINC001753082050 1188493209 /nfs/dbraw/zinc/49/32/09/1188493209.db2.gz ZYLHNBYGHSSZPO-CHWSQXEVSA-N 1 1 309.370 0.332 20 5 DCBDMO CN(CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)CC(N)=O ZINC001753849671 1188665483 /nfs/dbraw/zinc/66/54/83/1188665483.db2.gz KIUAAFUPCLTELQ-UHFFFAOYSA-N 1 1 308.338 0.360 20 5 DCBDMO CC(C)CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001755148959 1189037183 /nfs/dbraw/zinc/03/71/83/1189037183.db2.gz PUQUTDAALKSOLO-CHWSQXEVSA-N 1 1 313.398 0.641 20 5 DCBDMO C[NH+](C)/C=C/c1cc(N2CCO[C@H](C(N)=O)C2)ncc1[N+](=O)[O-] ZINC001167075979 746943024 /nfs/dbraw/zinc/94/30/24/746943024.db2.gz WGDFYBNGEPGVCI-PCAWENJQSA-N 1 1 321.337 0.213 20 5 DCBDMO COCc1cccc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001126932446 750144019 /nfs/dbraw/zinc/14/40/19/750144019.db2.gz YDZMSDUCBMPQKU-ZIAGYGMSSA-N 1 1 307.350 0.704 20 5 DCBDMO Cc1c(CC[NH3+])c(=O)[nH]n1-c1cc([N+](=O)[O-])c2nccn2c1 ZINC001170339228 762622602 /nfs/dbraw/zinc/62/26/02/762622602.db2.gz IWVJPLVDWDYHQQ-UHFFFAOYSA-N 1 1 302.294 0.943 20 5 DCBDMO Cc1[nH+]ccn1CC(=O)NCCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001100127623 761158758 /nfs/dbraw/zinc/15/87/58/761158758.db2.gz NFFQHCGWHKVMHZ-UHFFFAOYSA-N 1 1 318.337 0.747 20 5 DCBDMO CCCCOCC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001125078901 768352532 /nfs/dbraw/zinc/35/25/32/768352532.db2.gz VJKGACHKGYNQIE-UHFFFAOYSA-N 1 1 313.358 0.351 20 5 DCBDMO COCC[N@@H+](C)CCNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001136594316 766365194 /nfs/dbraw/zinc/36/51/94/766365194.db2.gz LKRRRUMTALZVKI-UHFFFAOYSA-N 1 1 305.722 0.279 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)n1 ZINC001136761470 766502441 /nfs/dbraw/zinc/50/24/41/766502441.db2.gz MQKUVBSSCSJYLJ-LBPRGKRZSA-N 1 1 307.354 0.274 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2C[N@H+](C)CCN2C)n1 ZINC001136761470 766502444 /nfs/dbraw/zinc/50/24/44/766502444.db2.gz MQKUVBSSCSJYLJ-LBPRGKRZSA-N 1 1 307.354 0.274 20 5 DCBDMO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1nnnn1C ZINC001120558921 767079155 /nfs/dbraw/zinc/07/91/55/767079155.db2.gz LEERCJDTJSAJBD-MWLCHTKSSA-N 1 1 322.325 0.209 20 5 DCBDMO Cn1c(CCC[N+](=O)[O-])nnc1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001121381253 767535480 /nfs/dbraw/zinc/53/54/80/767535480.db2.gz QGOKAJLAHAOWTR-RISCZKNCSA-N 1 1 308.386 0.412 20 5 DCBDMO Cc1c[nH+]cn1CC(=O)NCCNc1ncc([N+](=O)[O-])cc1F ZINC001094008467 768806940 /nfs/dbraw/zinc/80/69/40/768806940.db2.gz OPQACIZMYLHBHR-UHFFFAOYSA-N 1 1 322.300 0.862 20 5 DCBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1CC[N@H+]1C ZINC001178455661 770758234 /nfs/dbraw/zinc/75/82/34/770758234.db2.gz KBHHWSRLVNRJNL-QWRGUYRKSA-N 1 1 324.385 0.648 20 5 DCBDMO O=C([C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC([NH2+]C2COC2)C1 ZINC001157602298 771639875 /nfs/dbraw/zinc/63/98/75/771639875.db2.gz UZHKFOYWZPTRHR-CABCVRRESA-N 1 1 317.345 0.898 20 5 DCBDMO Cc1cc(C(=O)N2CC([NH2+]C3COC3)C2)c(N)c([N+](=O)[O-])c1 ZINC001157602314 771639965 /nfs/dbraw/zinc/63/99/65/771639965.db2.gz VGWUTVJOWMMMTQ-UHFFFAOYSA-N 1 1 306.322 0.298 20 5 DCBDMO COc1cccc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001157767836 771667079 /nfs/dbraw/zinc/66/70/79/771667079.db2.gz XAAZSFGSBIEBOR-ZIAGYGMSSA-N 1 1 307.350 0.956 20 5 DCBDMO O=C(NCCC[NH2+]CCCCCn1cncn1)[C@@H]1CC1[N+](=O)[O-] ZINC001157775008 771670245 /nfs/dbraw/zinc/67/02/45/771670245.db2.gz HJXPIQIGVBYSPZ-CHWSQXEVSA-N 1 1 324.385 0.210 20 5 DCBDMO CCOC(=O)C1(Nc2cc([N+](=O)[O-])cc[n+]2[O-])CC[NH+](C)CC1 ZINC001158568842 771790572 /nfs/dbraw/zinc/79/05/72/771790572.db2.gz TVVNDRKPEJWVKO-UHFFFAOYSA-N 1 1 324.337 0.668 20 5 DCBDMO C[C@@H]1COCC[N@H+]1C1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC001186881478 772100322 /nfs/dbraw/zinc/10/03/22/772100322.db2.gz STATZEHXBJQNOR-SNVBAGLBSA-N 1 1 322.369 0.657 20 5 DCBDMO COC(=O)C1([NH3+])CCN(c2nc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001166794667 772860559 /nfs/dbraw/zinc/86/05/59/772860559.db2.gz HOFOMNXXBONHPS-UHFFFAOYSA-N 1 1 315.717 0.509 20 5 DCBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC001197157387 773706874 /nfs/dbraw/zinc/70/68/74/773706874.db2.gz UODMBPMYVBOIPH-SDDRHHMPSA-N 1 1 323.349 0.454 20 5 DCBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC001197157387 773706877 /nfs/dbraw/zinc/70/68/77/773706877.db2.gz UODMBPMYVBOIPH-SDDRHHMPSA-N 1 1 323.349 0.454 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]CCOCC(F)F)CC1 ZINC001200471929 774359056 /nfs/dbraw/zinc/35/90/56/774359056.db2.gz LSYXYCRHFUNELW-GHMZBOCLSA-N 1 1 321.324 0.514 20 5 DCBDMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCC1CCOCC1 ZINC001267241010 939399903 /nfs/dbraw/zinc/39/99/03/939399903.db2.gz HTFDCOOGVDABEF-ZIAGYGMSSA-N 1 1 313.398 0.906 20 5 DCBDMO CC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCC1CCOCC1 ZINC001267241010 939399905 /nfs/dbraw/zinc/39/99/05/939399905.db2.gz HTFDCOOGVDABEF-ZIAGYGMSSA-N 1 1 313.398 0.906 20 5 DCBDMO CC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCC1CCOCC1 ZINC001267241010 939399909 /nfs/dbraw/zinc/39/99/09/939399909.db2.gz HTFDCOOGVDABEF-ZIAGYGMSSA-N 1 1 313.398 0.906 20 5 DCBDMO C[C@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)[C@@H]1C[N@H+](C)CCO1 ZINC001137379972 943283795 /nfs/dbraw/zinc/28/37/95/943283795.db2.gz WYDZBVFGZSTYEE-BQBZGAKWSA-N 1 1 317.733 0.420 20 5 DCBDMO C[C@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)[C@@H]1C[N@@H+](C)CCO1 ZINC001137379972 943283803 /nfs/dbraw/zinc/28/38/03/943283803.db2.gz WYDZBVFGZSTYEE-BQBZGAKWSA-N 1 1 317.733 0.420 20 5 DCBDMO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2C[C@@H](O)CC[NH2+]2)n1 ZINC001247513300 945558628 /nfs/dbraw/zinc/55/86/28/945558628.db2.gz NKPYRTSVXFUXOY-JGVFFNPUSA-N 1 1 309.257 0.964 20 5 DCBDMO NC(=O)CC[C@@H]([NH3+])c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001248298383 945596422 /nfs/dbraw/zinc/59/64/22/945596422.db2.gz UIBIRAXESQYZJK-ZCFIWIBFSA-N 1 1 310.245 0.444 20 5 DCBDMO CCOCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001325738049 947904530 /nfs/dbraw/zinc/90/45/30/947904530.db2.gz XWZPOQRISHWLIU-XJFOESAGSA-N 1 1 311.382 0.468 20 5 DCBDMO CCOCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001325738049 947904536 /nfs/dbraw/zinc/90/45/36/947904536.db2.gz XWZPOQRISHWLIU-XJFOESAGSA-N 1 1 311.382 0.468 20 5 DCBDMO CCOCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001325738049 947904547 /nfs/dbraw/zinc/90/45/47/947904547.db2.gz XWZPOQRISHWLIU-XJFOESAGSA-N 1 1 311.382 0.468 20 5 DCBDMO CCc1nocc1C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001490192951 950406522 /nfs/dbraw/zinc/40/65/22/950406522.db2.gz ISYJWFZYAYPVMJ-DGCLKSJQSA-N 1 1 310.354 0.840 20 5 DCBDMO CC(C)C[C@H](NCC[N+](=O)[O-])C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001336832274 952773053 /nfs/dbraw/zinc/77/30/53/952773053.db2.gz WHEFHCPGWQCTRN-STQMWFEESA-N 1 1 300.403 0.430 20 5 DCBDMO COC(=O)CC(C)(C)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001340962677 953204413 /nfs/dbraw/zinc/20/44/13/953204413.db2.gz OXUDSZRYPYUIIJ-LLVKDONJSA-N 1 1 314.342 0.426 20 5 DCBDMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC001346296513 953848655 /nfs/dbraw/zinc/84/86/55/953848655.db2.gz NDMSUSNWIXKDMM-SMDDNHRTSA-N 1 1 304.350 0.599 20 5 DCBDMO C[NH+]1CC(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3N)CC2)C1 ZINC001347361755 954078609 /nfs/dbraw/zinc/07/86/09/954078609.db2.gz FYJWTARPJVMPNY-UHFFFAOYSA-N 1 1 319.365 0.249 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001347513786 954109691 /nfs/dbraw/zinc/10/96/91/954109691.db2.gz DKFPEVCDHQPSAV-UHFFFAOYSA-N 1 1 320.349 0.407 20 5 DCBDMO C[NH+]1CCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC001348042476 954194287 /nfs/dbraw/zinc/19/42/87/954194287.db2.gz DQFFBHZMEIEWDY-UHFFFAOYSA-N 1 1 324.312 0.238 20 5 DCBDMO C[NH+]1CC(N2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC001352910572 955821261 /nfs/dbraw/zinc/82/12/61/955821261.db2.gz KQFYWDNWICAUTB-UHFFFAOYSA-N 1 1 318.377 0.596 20 5 DCBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@H](CO)[C@H](CCO)C3)nc2c1 ZINC001308164738 960170717 /nfs/dbraw/zinc/17/07/17/960170717.db2.gz VIXSCMOVYCUMBZ-GHMZBOCLSA-N 1 1 320.349 0.894 20 5 DCBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3C[C@H](CO)[C@H](CCO)C3)nc2c1 ZINC001308164738 960170722 /nfs/dbraw/zinc/17/07/22/960170722.db2.gz VIXSCMOVYCUMBZ-GHMZBOCLSA-N 1 1 320.349 0.894 20 5 DCBDMO C[C@H]1[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@H+]1C ZINC001477127167 1017255451 /nfs/dbraw/zinc/25/54/51/1017255451.db2.gz GAFYOUIFLKMLKY-KWQFWETISA-N 1 1 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ZINC000286654562 219105910 /nfs/dbraw/zinc/10/59/10/219105910.db2.gz CQKXNWWKUBQNFR-UHFFFAOYSA-N 1 1 305.298 0.014 20 5 DCBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000331372775 233217812 /nfs/dbraw/zinc/21/78/12/233217812.db2.gz JGHDSNGZUXHATB-SNVBAGLBSA-N 1 1 309.326 0.112 20 5 DCBDMO [NH3+]CC[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(F)F ZINC000420454871 240035642 /nfs/dbraw/zinc/03/56/42/240035642.db2.gz FEAPNENEEJOGTL-JTQLQIEISA-N 1 1 323.321 0.997 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000264970106 204312041 /nfs/dbraw/zinc/31/20/41/204312041.db2.gz DXLNMZFBFRUWMB-NSHDSACASA-N 1 1 322.369 0.071 20 5 DCBDMO C[C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000266122545 205117008 /nfs/dbraw/zinc/11/70/08/205117008.db2.gz JDSDQBBZTHFOHS-CYBMUJFWSA-N 1 1 320.393 0.889 20 5 DCBDMO C[N@H+](CCC(N)=O)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000286472004 219007436 /nfs/dbraw/zinc/00/74/36/219007436.db2.gz NTZIDOQRJJBOEI-UHFFFAOYSA-N 1 1 324.293 0.069 20 5 DCBDMO C[N@@H+](CCC(N)=O)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000286472004 219007438 /nfs/dbraw/zinc/00/74/38/219007438.db2.gz NTZIDOQRJJBOEI-UHFFFAOYSA-N 1 1 324.293 0.069 20 5 DCBDMO C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000351517387 254341695 /nfs/dbraw/zinc/34/16/95/254341695.db2.gz NIDSVSHXYYJYEE-SECBINFHSA-N 1 1 324.312 0.740 20 5 DCBDMO O=C1CCCN1[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000270571920 395785397 /nfs/dbraw/zinc/78/53/97/395785397.db2.gz OANLPZMTZZOEFM-GFCCVEGCSA-N 1 1 320.349 0.453 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000193572962 395772170 /nfs/dbraw/zinc/77/21/70/395772170.db2.gz BLAWIBZJQAHLDB-YMTOWFKASA-N 1 1 320.349 0.956 20 5 DCBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000108784132 395793191 /nfs/dbraw/zinc/79/31/91/395793191.db2.gz KQNSMQUZIIVAFK-LLVKDONJSA-N 1 1 307.354 0.782 20 5 DCBDMO NC(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000270677968 395796029 /nfs/dbraw/zinc/79/60/29/395796029.db2.gz MHTNRJHRYIFIQV-ZYHUDNBSSA-N 1 1 324.337 0.077 20 5 DCBDMO CN1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000273334664 395914184 /nfs/dbraw/zinc/91/41/84/395914184.db2.gz MOVWVNADNNXNIF-AAEUAGOBSA-N 1 1 323.349 0.497 20 5 DCBDMO CN1CC[C@@H]([N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000273334668 395914202 /nfs/dbraw/zinc/91/42/02/395914202.db2.gz MOVWVNADNNXNIF-WCQYABFASA-N 1 1 323.349 0.497 20 5 DCBDMO CSC[C@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247302686 395971843 /nfs/dbraw/zinc/97/18/43/395971843.db2.gz UVKAIVBZYDZEOK-ZYHUDNBSSA-N 1 1 300.384 0.980 20 5 DCBDMO C[C@H](O)C[N@H+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)[C@@H](C)C1 ZINC000248667389 395993892 /nfs/dbraw/zinc/99/38/92/395993892.db2.gz PPPFZLBHIDTBTL-QWRGUYRKSA-N 1 1 320.353 0.529 20 5 DCBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000153872068 396027315 /nfs/dbraw/zinc/02/73/15/396027315.db2.gz KSBDLGFAZUXNRK-ZDUSSCGKSA-N 1 1 309.370 0.980 20 5 DCBDMO C[C@@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000154817188 396042857 /nfs/dbraw/zinc/04/28/57/396042857.db2.gz IMVVRKQBJREDTC-RNCFNFMXSA-N 1 1 308.338 0.825 20 5 DCBDMO C[C@@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000154817188 396042862 /nfs/dbraw/zinc/04/28/62/396042862.db2.gz IMVVRKQBJREDTC-RNCFNFMXSA-N 1 1 308.338 0.825 20 5 DCBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000277988668 396099395 /nfs/dbraw/zinc/09/93/95/396099395.db2.gz GQEUXPVHFNQHSL-BXKDBHETSA-N 1 1 306.322 0.862 20 5 DCBDMO NC(=O)c1ccc(C[NH2+]C2(C(N)=O)CCCCC2)c([N+](=O)[O-])c1 ZINC000177123677 396167309 /nfs/dbraw/zinc/16/73/09/396167309.db2.gz ASQPXCKAOOMXAY-UHFFFAOYSA-N 1 1 320.349 0.972 20 5 DCBDMO CN1CC[NH+](CCCNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000178150435 396190188 /nfs/dbraw/zinc/19/01/88/396190188.db2.gz ZAERLLXVXVCVQN-UHFFFAOYSA-N 1 1 321.381 0.544 20 5 DCBDMO CC(C)C[N@H+]1CCO[C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000076267363 396199729 /nfs/dbraw/zinc/19/97/29/396199729.db2.gz DSILHVCIVNXKCC-JTQLQIEISA-N 1 1 310.358 0.736 20 5 DCBDMO COCC[N@@H+](C)CCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000263765407 396229410 /nfs/dbraw/zinc/22/94/10/396229410.db2.gz MEGJOBCHFWPZKS-UHFFFAOYSA-N 1 1 311.338 0.911 20 5 DCBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCOCC3(CCOCC3)C2)n1 ZINC000184105338 396285411 /nfs/dbraw/zinc/28/54/11/396285411.db2.gz QODSFROQDNPSRR-UHFFFAOYSA-N 1 1 310.354 0.920 20 5 DCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000264665534 396300407 /nfs/dbraw/zinc/30/04/07/396300407.db2.gz SEEIHRHUFYLDDT-CYBMUJFWSA-N 1 1 307.354 0.962 20 5 DCBDMO CNC(=O)C1C[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000184784104 396306156 /nfs/dbraw/zinc/30/61/56/396306156.db2.gz MPFLCEAUCQPMRN-LLVKDONJSA-N 1 1 309.322 0.012 20 5 DCBDMO CN(CC[N@@H+](C)C1CC1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000185572555 396330649 /nfs/dbraw/zinc/33/06/49/396330649.db2.gz KYOHMKCMHLRZNW-UHFFFAOYSA-N 1 1 310.358 0.527 20 5 DCBDMO Cc1cc(C(=O)NCC(=O)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000192955677 396440908 /nfs/dbraw/zinc/44/09/08/396440908.db2.gz OUZXRNYQGMQLFA-UHFFFAOYSA-N 1 1 320.349 0.407 20 5 DCBDMO CCc1nn(C)c(NCCC[N@H+]2CCC[C@@H]2C(N)=O)c1[N+](=O)[O-] ZINC000288911222 396449378 /nfs/dbraw/zinc/44/93/78/396449378.db2.gz OSBNCSGOOKKTHM-LLVKDONJSA-N 1 1 324.385 0.642 20 5 DCBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290822609 396473490 /nfs/dbraw/zinc/47/34/90/396473490.db2.gz STUATXDBNKFUDL-ONGXEEELSA-N 1 1 307.354 0.865 20 5 DCBDMO CN(C)CC[N@@H+](C)CCCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000291166980 396480146 /nfs/dbraw/zinc/48/01/46/396480146.db2.gz QMUOIABMOYTYEX-UHFFFAOYSA-N 1 1 324.385 0.384 20 5 DCBDMO CN(CCCNc1nccc(C(N)=O)c1[N+](=O)[O-])CC[NH+](C)C ZINC000291166980 396480147 /nfs/dbraw/zinc/48/01/47/396480147.db2.gz QMUOIABMOYTYEX-UHFFFAOYSA-N 1 1 324.385 0.384 20 5 DCBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000595565289 396632387 /nfs/dbraw/zinc/63/23/87/396632387.db2.gz DWDATPHVIFDGSH-LLVKDONJSA-N 1 1 324.385 0.963 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588863558 396695786 /nfs/dbraw/zinc/69/57/86/396695786.db2.gz QBRACHCNBULZLO-KGLIPLIRSA-N 1 1 305.334 0.876 20 5 DCBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588863622 396695831 /nfs/dbraw/zinc/69/58/31/396695831.db2.gz RXSIZFFWKQIXIM-NEPJUHHUSA-N 1 1 305.334 0.876 20 5 DCBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588863626 396696120 /nfs/dbraw/zinc/69/61/20/396696120.db2.gz RXSIZFFWKQIXIM-NWDGAFQWSA-N 1 1 305.334 0.876 20 5 DCBDMO C[N@H+]1CCC[C@@H](N2CCN(c3ccc(N)c([N+](=O)[O-])n3)CC2)C1 ZINC000596129562 396722219 /nfs/dbraw/zinc/72/22/19/396722219.db2.gz SEVVIOPJSQTUAY-GFCCVEGCSA-N 1 1 320.397 0.788 20 5 DCBDMO CC(C)[NH+](CCNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000314547476 396782557 /nfs/dbraw/zinc/78/25/57/396782557.db2.gz DQPBAXSZUSZWLM-AWEZNQCLSA-N 1 1 313.402 0.861 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000314582495 396783007 /nfs/dbraw/zinc/78/30/07/396783007.db2.gz PRIWIZGTSWJWFI-FZMZJTMJSA-N 1 1 309.370 0.226 20 5 DCBDMO CC[N@@H+](C)C[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304326736 396730273 /nfs/dbraw/zinc/73/02/73/396730273.db2.gz SVRHNZZURZSZDB-JSGCOSHPSA-N 1 1 311.386 0.426 20 5 DCBDMO C[C@H](O)C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@H](C)C1 ZINC000596199062 396730391 /nfs/dbraw/zinc/73/03/91/396730391.db2.gz BBKKXFAATUINMS-MNOVXSKESA-N 1 1 322.365 0.585 20 5 DCBDMO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596231947 396739832 /nfs/dbraw/zinc/73/98/32/396739832.db2.gz NEPHJPNTRRSPFJ-WDEREUQCSA-N 1 1 308.338 0.995 20 5 DCBDMO CN(C)CC[N@@H+](C)CCCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596234399 396741104 /nfs/dbraw/zinc/74/11/04/396741104.db2.gz JJLAPCOCDRTUOC-UHFFFAOYSA-N 1 1 323.397 0.989 20 5 DCBDMO CN(CCCNc1ccc([N+](=O)[O-])c(C(N)=O)c1)CC[NH+](C)C ZINC000596234399 396741110 /nfs/dbraw/zinc/74/11/10/396741110.db2.gz JJLAPCOCDRTUOC-UHFFFAOYSA-N 1 1 323.397 0.989 20 5 DCBDMO NC(=O)c1cc(NC[C@@H]2CCC[N@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000596257485 396745368 /nfs/dbraw/zinc/74/53/68/396745368.db2.gz LAIOLNSAYCRSAU-LBPRGKRZSA-N 1 1 322.365 0.952 20 5 DCBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H](O)C(F)(F)F ZINC000305780687 396752792 /nfs/dbraw/zinc/75/27/92/396752792.db2.gz TUNMGOXWWPZBAB-IUCAKERBSA-N 1 1 312.248 0.007 20 5 DCBDMO NC(=O)[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611249327 396847062 /nfs/dbraw/zinc/84/70/62/396847062.db2.gz BNDVRKGUHYSTTO-VIFPVBQESA-N 1 1 307.306 0.673 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000331639535 396874075 /nfs/dbraw/zinc/87/40/75/396874075.db2.gz PIEPCKZVRVHHBF-GHMZBOCLSA-N 1 1 307.354 0.819 20 5 DCBDMO C[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000611598456 396894404 /nfs/dbraw/zinc/89/44/04/396894404.db2.gz ZJHQSBJDYRTXHN-JOYOIKCWSA-N 1 1 309.326 0.252 20 5 DCBDMO C[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000611598456 396894410 /nfs/dbraw/zinc/89/44/10/396894410.db2.gz ZJHQSBJDYRTXHN-JOYOIKCWSA-N 1 1 309.326 0.252 20 5 DCBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000600808315 396947371 /nfs/dbraw/zinc/94/73/71/396947371.db2.gz LDVFFZKYNMQGEG-JTQLQIEISA-N 1 1 323.305 0.120 20 5 DCBDMO Cc1c(NC(=O)CC[N@@H+]2CCOC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000618318972 396959722 /nfs/dbraw/zinc/95/97/22/396959722.db2.gz GKVHCOJLPYBBCE-GFCCVEGCSA-N 1 1 323.349 0.925 20 5 DCBDMO Cc1c(NC(=O)CC[N@H+]2CCOC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000618318972 396959730 /nfs/dbraw/zinc/95/97/30/396959730.db2.gz GKVHCOJLPYBBCE-GFCCVEGCSA-N 1 1 323.349 0.925 20 5 DCBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000377511365 397090413 /nfs/dbraw/zinc/09/04/13/397090413.db2.gz JJPSFTVWJGZJMU-MWLCHTKSSA-N 1 1 322.321 0.288 20 5 DCBDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000592198313 397124163 /nfs/dbraw/zinc/12/41/63/397124163.db2.gz NMSOAYAYHGYWLJ-OCCSQVGLSA-N 1 1 308.334 0.993 20 5 DCBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000599531362 397465695 /nfs/dbraw/zinc/46/56/95/397465695.db2.gz UODMBPMYVBOIPH-WOPDTQHZSA-N 1 1 323.349 0.454 20 5 DCBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593856008 397457511 /nfs/dbraw/zinc/45/75/11/397457511.db2.gz UIONHMUFMLYKGD-CQSZACIVSA-N 1 1 305.334 0.415 20 5 DCBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593856008 397457513 /nfs/dbraw/zinc/45/75/13/397457513.db2.gz UIONHMUFMLYKGD-CQSZACIVSA-N 1 1 305.334 0.415 20 5 DCBDMO CNc1c(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000593855581 397457809 /nfs/dbraw/zinc/45/78/09/397457809.db2.gz JYPRNNCAEMNJBA-LLVKDONJSA-N 1 1 320.349 0.528 20 5 DCBDMO CNc1c(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000593855581 397457813 /nfs/dbraw/zinc/45/78/13/397457813.db2.gz JYPRNNCAEMNJBA-LLVKDONJSA-N 1 1 320.349 0.528 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000602836675 397498384 /nfs/dbraw/zinc/49/83/84/397498384.db2.gz QQLOMTWMAXLXEG-AWEZNQCLSA-N 1 1 323.397 0.896 20 5 DCBDMO C[N@H+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000602904126 397519252 /nfs/dbraw/zinc/51/92/52/397519252.db2.gz JEGWHIYQNLMGHF-GFCCVEGCSA-N 1 1 322.365 0.532 20 5 DCBDMO CN1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000602904126 397519254 /nfs/dbraw/zinc/51/92/54/397519254.db2.gz JEGWHIYQNLMGHF-GFCCVEGCSA-N 1 1 322.365 0.532 20 5 DCBDMO CN1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000602904126 397519255 /nfs/dbraw/zinc/51/92/55/397519255.db2.gz JEGWHIYQNLMGHF-GFCCVEGCSA-N 1 1 322.365 0.532 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@@H+](C)C[C@@H]1CO ZINC000602906735 397520281 /nfs/dbraw/zinc/52/02/81/397520281.db2.gz ZUNPHGLGXKPSEU-CYBMUJFWSA-N 1 1 322.365 0.450 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@H+](C)C[C@@H]1CO ZINC000602906735 397520288 /nfs/dbraw/zinc/52/02/88/397520288.db2.gz ZUNPHGLGXKPSEU-CYBMUJFWSA-N 1 1 322.365 0.450 20 5 DCBDMO Cn1c(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599938619 397545185 /nfs/dbraw/zinc/54/51/85/397545185.db2.gz QXIWQUQSVFRUEE-GHMZBOCLSA-N 1 1 308.338 0.214 20 5 DCBDMO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000609881547 397795443 /nfs/dbraw/zinc/79/54/43/397795443.db2.gz WMFOESSASPDKOY-NEPJUHHUSA-N 1 1 319.365 0.954 20 5 DCBDMO COc1ccc(S(=O)(=O)N2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])c1 ZINC000088059419 286348986 /nfs/dbraw/zinc/34/89/86/286348986.db2.gz WABROUOADHNRGB-SECBINFHSA-N 1 1 315.351 0.586 20 5 DCBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH2+][C@@H](C)C1 ZINC000088059587 158093465 /nfs/dbraw/zinc/09/34/65/158093465.db2.gz RNBYTALDWDFGNB-VIFPVBQESA-N 1 1 315.351 0.586 20 5 DCBDMO Cc1ccc(S(=O)(=O)NCC(F)(F)C[NH3+])cc1[N+](=O)[O-] ZINC000162652280 158360926 /nfs/dbraw/zinc/36/09/26/158360926.db2.gz KNEVRXGFTVLGRZ-UHFFFAOYSA-N 1 1 309.294 0.776 20 5 DCBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000318609850 159006376 /nfs/dbraw/zinc/00/63/76/159006376.db2.gz QNNZNIKFTCESCD-SNVBAGLBSA-N 1 1 305.338 0.882 20 5 DCBDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)C1 ZINC000367195597 159321440 /nfs/dbraw/zinc/32/14/40/159321440.db2.gz JQVOMHZIDWGCMP-LLVKDONJSA-N 1 1 322.369 0.170 20 5 DCBDMO C[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C[C@H]2C1 ZINC000408280320 160074915 /nfs/dbraw/zinc/07/49/15/160074915.db2.gz OMDPDWABBOQDIC-PHIMTYICSA-N 1 1 307.354 0.546 20 5 DCBDMO CC[N@H+]1CC[C@H](CNC(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000133373460 287010545 /nfs/dbraw/zinc/01/05/45/287010545.db2.gz ZJYIFRDAWSVVEG-GFCCVEGCSA-N 1 1 309.370 0.948 20 5 DCBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)C[NH+]1CCOCC1 ZINC000357054308 287203161 /nfs/dbraw/zinc/20/31/61/287203161.db2.gz LKVFIUUZAFUAAE-SNVBAGLBSA-N 1 1 311.342 0.026 20 5 DCBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000025227282 415163549 /nfs/dbraw/zinc/16/35/49/415163549.db2.gz UIWIWSMKIRYEIU-UHFFFAOYSA-N 1 1 320.349 0.535 20 5 DCBDMO C[NH+]1CCN(C(=O)CCNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000042653009 415211058 /nfs/dbraw/zinc/21/10/58/415211058.db2.gz VURVCNJMJZOTMC-UHFFFAOYSA-N 1 1 320.349 0.489 20 5 DCBDMO NC(=O)C[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551482 415529926 /nfs/dbraw/zinc/52/99/26/415529926.db2.gz OWAWJGQPWQPTRI-LLVKDONJSA-N 1 1 308.338 0.344 20 5 DCBDMO COc1ccc(NC(=O)C[N@H+](C)C2CC(O)C2)c([N+](=O)[O-])c1 ZINC000353465540 415552384 /nfs/dbraw/zinc/55/23/84/415552384.db2.gz FLCYFPKLQULSBC-UHFFFAOYSA-N 1 1 309.322 0.997 20 5 DCBDMO COc1ccc(NC(=O)C[N@@H+](C)C2CC(O)C2)c([N+](=O)[O-])c1 ZINC000353465540 415552391 /nfs/dbraw/zinc/55/23/91/415552391.db2.gz FLCYFPKLQULSBC-UHFFFAOYSA-N 1 1 309.322 0.997 20 5 DCBDMO COc1cc(C[N@H+](CCO)C[C@@H](C)O)c([N+](=O)[O-])cc1F ZINC000289910018 415736552 /nfs/dbraw/zinc/73/65/52/415736552.db2.gz SXUKDADOZXMGKV-SECBINFHSA-N 1 1 302.302 0.918 20 5 DCBDMO COc1cc(C[N@@H+](CCO)C[C@@H](C)O)c([N+](=O)[O-])cc1F ZINC000289910018 415736556 /nfs/dbraw/zinc/73/65/56/415736556.db2.gz SXUKDADOZXMGKV-SECBINFHSA-N 1 1 302.302 0.918 20 5 DCBDMO CO[C@H]1C[C@@H](CN(C)c2cccc(C(N)=O)c2[N+](=O)[O-])[N@@H+](C)C1 ZINC000343876919 415761606 /nfs/dbraw/zinc/76/16/06/415761606.db2.gz WGNZMXOIPLWWSM-QWRGUYRKSA-N 1 1 322.365 0.849 20 5 DCBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000290177754 415771172 /nfs/dbraw/zinc/77/11/72/415771172.db2.gz PIMPQNNZONOIFI-UWVGGRQHSA-N 1 1 307.354 0.952 20 5 DCBDMO CO[C@H]1COC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000290171366 415772819 /nfs/dbraw/zinc/77/28/19/415772819.db2.gz PSACIPUCMYCABW-STQMWFEESA-N 1 1 309.322 0.845 20 5 DCBDMO O=C(NCCNc1cc[nH+]cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356342734 415901119 /nfs/dbraw/zinc/90/11/19/415901119.db2.gz OYNBFXAHQOYKEU-UHFFFAOYSA-N 1 1 302.290 0.959 20 5 DCBDMO CN(C)CC[N@@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000345365218 416083799 /nfs/dbraw/zinc/08/37/99/416083799.db2.gz JVLSUTBISCOPOL-UHFFFAOYSA-N 1 1 311.386 0.547 20 5 DCBDMO CN(CCCNC(=O)c1ccc([N+](=O)[O-])n1C)CC[NH+](C)C ZINC000345365218 416083803 /nfs/dbraw/zinc/08/38/03/416083803.db2.gz JVLSUTBISCOPOL-UHFFFAOYSA-N 1 1 311.386 0.547 20 5 DCBDMO C[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000357492133 416088079 /nfs/dbraw/zinc/08/80/79/416088079.db2.gz UPZYJYNRXXKZPD-JTQLQIEISA-N 1 1 323.353 0.469 20 5 DCBDMO NC(=O)NC1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000174913798 416091459 /nfs/dbraw/zinc/09/14/59/416091459.db2.gz MTMANQLDUGOYKS-UHFFFAOYSA-N 1 1 321.337 0.326 20 5 DCBDMO CN(CC[NH+](C)C)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301853786 416096440 /nfs/dbraw/zinc/09/64/40/416096440.db2.gz BHONNJPVLMIQNZ-UHFFFAOYSA-N 1 1 301.368 0.996 20 5 DCBDMO CC1=CC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000358058365 416180664 /nfs/dbraw/zinc/18/06/64/416180664.db2.gz COXWLRLPYZRKSJ-UHFFFAOYSA-N 1 1 305.338 0.954 20 5 DCBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)C[NH+]1CCOCC1 ZINC000180569775 416199881 /nfs/dbraw/zinc/19/98/81/416199881.db2.gz VKKNUFZIMLPNSW-JTQLQIEISA-N 1 1 323.353 0.270 20 5 DCBDMO CN1CCN(C)[C@@H](CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347410289 416217749 /nfs/dbraw/zinc/21/77/49/416217749.db2.gz FZHFHDIXQVUREI-NSHDSACASA-N 1 1 316.365 1.196 20 5 DCBDMO CN1CCN(CCC[N@H+](C)CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000182966696 416235213 /nfs/dbraw/zinc/23/52/13/416235213.db2.gz HJFHIDZHYDHRFW-UHFFFAOYSA-N 1 1 310.402 0.361 20 5 DCBDMO CN1CCN(CCC[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000182966696 416235216 /nfs/dbraw/zinc/23/52/16/416235216.db2.gz HJFHIDZHYDHRFW-UHFFFAOYSA-N 1 1 310.402 0.361 20 5 DCBDMO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000436054533 416546151 /nfs/dbraw/zinc/54/61/51/416546151.db2.gz HQKXJRDBWALGBH-GFCCVEGCSA-N 1 1 324.385 0.111 20 5 DCBDMO Nc1nccc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000594286395 416558207 /nfs/dbraw/zinc/55/82/07/416558207.db2.gz YGRLIFAJYAAPGY-SNVBAGLBSA-N 1 1 305.338 0.786 20 5 DCBDMO C[C@@H]1C[N@H+](CCNc2ccc3ncc([N+](=O)[O-])n3n2)[C@@H](C)CO1 ZINC000596432838 416583574 /nfs/dbraw/zinc/58/35/74/416583574.db2.gz SZUVNHQCMWNTPP-WDEREUQCSA-N 1 1 320.353 1.159 20 5 DCBDMO C[C@@H]1C[N@@H+](CCNc2ccc3ncc([N+](=O)[O-])n3n2)[C@@H](C)CO1 ZINC000596432838 416583577 /nfs/dbraw/zinc/58/35/77/416583577.db2.gz SZUVNHQCMWNTPP-WDEREUQCSA-N 1 1 320.353 1.159 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000609285191 416653366 /nfs/dbraw/zinc/65/33/66/416653366.db2.gz FDHFLPAPZMCOAC-GXTWGEPZSA-N 1 1 322.365 0.605 20 5 DCBDMO O=[N+]([O-])c1ccn(CCN2CCC[N@@H+](C[C@H]3CCCO3)CC2)n1 ZINC000610485196 416657286 /nfs/dbraw/zinc/65/72/86/416657286.db2.gz DNPNAVMJCWBRCZ-CQSZACIVSA-N 1 1 323.397 0.978 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000545170994 416665913 /nfs/dbraw/zinc/66/59/13/416665913.db2.gz GBIAZRBORUFTMK-AWEZNQCLSA-N 1 1 323.305 0.120 20 5 DCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNc2ncc([N+](=O)[O-])s2)C1 ZINC000443514817 416763687 /nfs/dbraw/zinc/76/36/87/416763687.db2.gz ZCJMSJZHWDSNOQ-VIFPVBQESA-N 1 1 313.383 1.051 20 5 DCBDMO CNc1nccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000565181898 416937301 /nfs/dbraw/zinc/93/73/01/416937301.db2.gz NXZWGRNNLOTLEV-VXGBXAGGSA-N 1 1 319.365 1.388 20 5 DCBDMO CC[N@@H+](C)C[C@@H](O)Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000565904491 417032693 /nfs/dbraw/zinc/03/26/93/417032693.db2.gz PBNLDQFGGKXQTA-GFCCVEGCSA-N 1 1 322.321 0.724 20 5 DCBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000568528987 417147928 /nfs/dbraw/zinc/14/79/28/417147928.db2.gz IPOSTDDBZXCBCC-JTQLQIEISA-N 1 1 307.354 0.986 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](O)C23CCCC3)c1 ZINC000433301482 417251846 /nfs/dbraw/zinc/25/18/46/417251846.db2.gz GGLWYIRUGWRRTH-OLZOCXBDSA-N 1 1 310.354 0.532 20 5 DCBDMO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000452787088 417501737 /nfs/dbraw/zinc/50/17/37/417501737.db2.gz YFQTYONIIATPSI-LLVKDONJSA-N 1 1 322.365 0.754 20 5 DCBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000456357940 417644103 /nfs/dbraw/zinc/64/41/03/417644103.db2.gz SPBQCAJDQURBCK-GFCCVEGCSA-N 1 1 322.365 0.699 20 5 DCBDMO CNc1nccc(C(=O)N2CC[N@H+](C)CC2(C)C)c1[N+](=O)[O-] ZINC000581952185 417732487 /nfs/dbraw/zinc/73/24/87/417732487.db2.gz BWLZOKOXUUAHOC-UHFFFAOYSA-N 1 1 307.354 1.198 20 5 DCBDMO CNc1nccc(C(=O)N2CC[N@@H+](C)CC2(C)C)c1[N+](=O)[O-] ZINC000581952185 417732490 /nfs/dbraw/zinc/73/24/90/417732490.db2.gz BWLZOKOXUUAHOC-UHFFFAOYSA-N 1 1 307.354 1.198 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363197352 262105429 /nfs/dbraw/zinc/10/54/29/262105429.db2.gz LUBNGCSDHDDSDE-ZIAGYGMSSA-N 1 1 311.382 0.613 20 5 DCBDMO COC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])c(C)n2)CC[N@@H+](C)C1 ZINC000413497318 262214210 /nfs/dbraw/zinc/21/42/10/262214210.db2.gz LKGFJKZLINEQPN-NSHDSACASA-N 1 1 308.338 0.839 20 5 DCBDMO COC(=O)[C@@H]1CN(c2ncc([N+](=O)[O-])s2)CC[N@H+](C)C1 ZINC000413503938 262214889 /nfs/dbraw/zinc/21/48/89/262214889.db2.gz SNUVMHQJKHXCHO-QMMMGPOBSA-N 1 1 300.340 0.592 20 5 DCBDMO COC(=O)[C@@H]1CN(c2ncc([N+](=O)[O-])s2)CC[N@@H+](C)C1 ZINC000413503938 262214891 /nfs/dbraw/zinc/21/48/91/262214891.db2.gz SNUVMHQJKHXCHO-QMMMGPOBSA-N 1 1 300.340 0.592 20 5 DCBDMO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000459787365 272008922 /nfs/dbraw/zinc/00/89/22/272008922.db2.gz BYINCDIEEMCMAP-TVYUQYBPSA-N 1 1 309.322 0.925 20 5 DCBDMO CO[C@@H]1COC[C@@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000459821325 272012639 /nfs/dbraw/zinc/01/26/39/272012639.db2.gz FORFBMLNMMOFKZ-MELADBBJSA-N 1 1 321.333 0.704 20 5 DCBDMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000548621769 288160418 /nfs/dbraw/zinc/16/04/18/288160418.db2.gz BHAOZHBGISJDMB-SNVBAGLBSA-N 1 1 314.367 0.752 20 5 DCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000560824057 288520046 /nfs/dbraw/zinc/52/00/46/288520046.db2.gz DCEXIWPHMDMXQE-UHFFFAOYSA-N 1 1 304.310 0.791 20 5 DCBDMO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N1CC[NH2+]CC1 ZINC001574440403 1159246934 /nfs/dbraw/zinc/24/69/34/1159246934.db2.gz CJDNHBUGDGTDCE-UHFFFAOYSA-N 1 1 323.733 0.981 20 5 DCBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000190886822 524972095 /nfs/dbraw/zinc/97/20/95/524972095.db2.gz VLBLBKMWCPGFSO-AGIUHOORSA-N 1 1 310.350 0.895 20 5 DCBDMO CCOC[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000174789085 528923910 /nfs/dbraw/zinc/92/39/10/528923910.db2.gz CQKGIDSSWNIYGX-OCCSQVGLSA-N 1 1 312.370 0.901 20 5 DCBDMO CN(C[C@H]1CC[N@@H+](C)C1)c1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821621692 606707897 /nfs/dbraw/zinc/70/78/97/606707897.db2.gz BWAPNSPDVDZNDP-VIFPVBQESA-N 1 1 318.341 0.558 20 5 DCBDMO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(-c3nn[nH]n3)o2)c1 ZINC000823651485 607230070 /nfs/dbraw/zinc/23/00/70/607230070.db2.gz LUTMVNBBIOJJRK-UHFFFAOYSA-N 1 1 304.270 0.354 20 5 DCBDMO O=[N+]([O-])c1cnn(CCN2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000934261992 658247129 /nfs/dbraw/zinc/24/71/29/658247129.db2.gz HCAGSIOGZRNNRJ-KGLIPLIRSA-N 1 1 309.370 0.322 20 5 DCBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H]3[C@H]2CCCN3CCO)c1 ZINC000934261992 658247136 /nfs/dbraw/zinc/24/71/36/658247136.db2.gz HCAGSIOGZRNNRJ-KGLIPLIRSA-N 1 1 309.370 0.322 20 5 DCBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H]3[C@H]2CCCN3CCO)c1 ZINC000934261992 658247144 /nfs/dbraw/zinc/24/71/44/658247144.db2.gz HCAGSIOGZRNNRJ-KGLIPLIRSA-N 1 1 309.370 0.322 20 5 DCBDMO O=C(N[C@H]1C[C@@H]([NH2+]CCc2ccns2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063590 658815819 /nfs/dbraw/zinc/81/58/19/658815819.db2.gz FKCYGBLSYZRJKG-RBLKWDMZSA-N 1 1 310.379 0.588 20 5 DCBDMO COc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)on1 ZINC001022063904 658817600 /nfs/dbraw/zinc/81/76/00/658817600.db2.gz ODHJCROSMFODOJ-JZSSXWJLSA-N 1 1 310.310 0.085 20 5 DCBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1C ZINC000924975370 661822471 /nfs/dbraw/zinc/82/24/71/661822471.db2.gz DGBGHDVZAVDHGI-ZJUUUORDSA-N 1 1 311.313 0.837 20 5 DCBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1C ZINC000924975369 661822599 /nfs/dbraw/zinc/82/25/99/661822599.db2.gz DGBGHDVZAVDHGI-VHSXEESVSA-N 1 1 311.313 0.837 20 5 DCBDMO C[N@@H+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@H]1CO ZINC000894884706 662026475 /nfs/dbraw/zinc/02/64/75/662026475.db2.gz JEFLRLMIMKVCKN-JTQLQIEISA-N 1 1 303.322 0.651 20 5 DCBDMO C[N@H+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@H]1CO ZINC000894884706 662026478 /nfs/dbraw/zinc/02/64/78/662026478.db2.gz JEFLRLMIMKVCKN-JTQLQIEISA-N 1 1 303.322 0.651 20 5 DCBDMO C[N@@H+]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@H]1CO ZINC000894886448 662027483 /nfs/dbraw/zinc/02/74/83/662027483.db2.gz DBZRRNGUDMDQHW-NSHDSACASA-N 1 1 320.349 0.592 20 5 DCBDMO C[N@H+]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@H]1CO ZINC000894886448 662027485 /nfs/dbraw/zinc/02/74/85/662027485.db2.gz DBZRRNGUDMDQHW-NSHDSACASA-N 1 1 320.349 0.592 20 5 DCBDMO C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCN1C ZINC000896563217 662291419 /nfs/dbraw/zinc/29/14/19/662291419.db2.gz KMKMADZPOVVSMR-IUODEOHRSA-N 1 1 320.393 0.888 20 5 DCBDMO C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896563217 662291422 /nfs/dbraw/zinc/29/14/22/662291422.db2.gz KMKMADZPOVVSMR-IUODEOHRSA-N 1 1 320.393 0.888 20 5 DCBDMO C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1CN(C)CC[N@H+]1C ZINC000896563217 662291423 /nfs/dbraw/zinc/29/14/23/662291423.db2.gz KMKMADZPOVVSMR-IUODEOHRSA-N 1 1 320.393 0.888 20 5 DCBDMO CN(CCC(=O)N1CC[NH2+]CC1)Cc1ccccc1[N+](=O)[O-] ZINC000262279311 662294514 /nfs/dbraw/zinc/29/45/14/662294514.db2.gz ZCFQKIPTPSWRLX-UHFFFAOYSA-N 1 1 306.366 0.849 20 5 DCBDMO C[NH+]1CCN(C(=O)Cc2ccc(NCC[N+](=O)[O-])cc2)CC1 ZINC000905312624 663545707 /nfs/dbraw/zinc/54/57/07/663545707.db2.gz FTGPHWYCVXKSEB-UHFFFAOYSA-N 1 1 306.366 0.692 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000913288903 664298485 /nfs/dbraw/zinc/29/84/85/664298485.db2.gz IADRWQISGPNAJK-GASCZTMLSA-N 1 1 321.381 0.900 20 5 DCBDMO C[N@@H+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000913556190 664619363 /nfs/dbraw/zinc/61/93/63/664619363.db2.gz SOACTEMIBRUVFI-BTKRWWFXSA-N 1 1 305.334 0.743 20 5 DCBDMO C[N@H+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000913556190 664619364 /nfs/dbraw/zinc/61/93/64/664619364.db2.gz SOACTEMIBRUVFI-BTKRWWFXSA-N 1 1 305.334 0.743 20 5 DCBDMO Cc1ccc(CNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)cc1[N+](=O)[O-] ZINC000913754354 664719509 /nfs/dbraw/zinc/71/95/09/664719509.db2.gz MXHRRZDSXMHFKX-DOMZBBRYSA-N 1 1 307.350 0.975 20 5 DCBDMO Cc1ncoc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000997771401 665336222 /nfs/dbraw/zinc/33/62/22/665336222.db2.gz HDVAJPOOMCIVFR-CHWSQXEVSA-N 1 1 322.365 0.976 20 5 DCBDMO O=C(NC1CC[NH+](CC2CCOCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002787977 666221966 /nfs/dbraw/zinc/22/19/66/666221966.db2.gz KZHHSGDAHFSELT-ZIAGYGMSSA-N 1 1 311.382 0.659 20 5 DCBDMO CCn1ccnc1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996429724 666791102 /nfs/dbraw/zinc/79/11/02/666791102.db2.gz UVZWSYWEISQJED-CHWSQXEVSA-N 1 1 321.381 0.649 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000923329142 667506119 /nfs/dbraw/zinc/50/61/19/667506119.db2.gz PBJWVSFDJNVOTD-NWANDNLSSA-N 1 1 323.397 0.616 20 5 DCBDMO O=C(OCCC[NH+]1CCOCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000838283416 667683493 /nfs/dbraw/zinc/68/34/93/667683493.db2.gz HGQKMDVOLXPSNJ-CQSZACIVSA-N 1 1 324.333 0.894 20 5 DCBDMO C[N@H+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCC1(C)C ZINC000871155205 667798542 /nfs/dbraw/zinc/79/85/42/667798542.db2.gz QWISMZGFRKENFR-UHFFFAOYSA-N 1 1 322.365 0.699 20 5 DCBDMO C[C@@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000747984411 667916315 /nfs/dbraw/zinc/91/63/15/667916315.db2.gz NWFDNSPVNFCTNZ-LLVKDONJSA-N 1 1 320.349 0.487 20 5 DCBDMO C[C@@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000747984411 667916318 /nfs/dbraw/zinc/91/63/18/667916318.db2.gz NWFDNSPVNFCTNZ-LLVKDONJSA-N 1 1 320.349 0.487 20 5 DCBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC000756817972 668101401 /nfs/dbraw/zinc/10/14/01/668101401.db2.gz JEYHYOJVSXJSNA-WDEREUQCSA-N 1 1 323.353 0.404 20 5 DCBDMO O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839722008 668136145 /nfs/dbraw/zinc/13/61/45/668136145.db2.gz STZJKMCCXGGUPF-RRFJBIMHSA-N 1 1 319.361 0.535 20 5 DCBDMO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839722008 668136146 /nfs/dbraw/zinc/13/61/46/668136146.db2.gz STZJKMCCXGGUPF-RRFJBIMHSA-N 1 1 319.361 0.535 20 5 DCBDMO O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839722008 668136149 /nfs/dbraw/zinc/13/61/49/668136149.db2.gz STZJKMCCXGGUPF-RRFJBIMHSA-N 1 1 319.361 0.535 20 5 DCBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000930441008 669018543 /nfs/dbraw/zinc/01/85/43/669018543.db2.gz QIUCGTWNCMGUKL-HOCLYGCPSA-N 1 1 324.377 0.972 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000812341983 670577229 /nfs/dbraw/zinc/57/72/29/670577229.db2.gz IITOGGBPNRRPDW-KOLCDFICSA-N 1 1 306.322 0.719 20 5 DCBDMO Cc1cc(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000848306764 670666874 /nfs/dbraw/zinc/66/68/74/670666874.db2.gz YZAUFVNSSAMYFE-WDEREUQCSA-N 1 1 320.349 0.376 20 5 DCBDMO CNC(=O)[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000817371199 670916404 /nfs/dbraw/zinc/91/64/04/670916404.db2.gz ZGOTULXQIUDRIG-SNVBAGLBSA-N 1 1 303.322 0.970 20 5 DCBDMO Nc1nc(N)[nH+]c(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000858312459 670991830 /nfs/dbraw/zinc/99/18/30/670991830.db2.gz ZZRKBKWFJCLYFO-UHFFFAOYSA-N 1 1 316.325 0.271 20 5 DCBDMO C[C@H](CN1CCN(C)CC1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819032003 671086855 /nfs/dbraw/zinc/08/68/55/671086855.db2.gz BEWYWPHZMZUTMP-CJNGLKHVSA-N 1 1 322.409 0.854 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000822454721 671324468 /nfs/dbraw/zinc/32/44/68/671324468.db2.gz VFFFSPNFRZXPSO-LBPRGKRZSA-N 1 1 309.370 0.948 20 5 DCBDMO C[C@@H]1CN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000823956259 671414508 /nfs/dbraw/zinc/41/45/08/671414508.db2.gz QJVUNMJSCMHUBC-SNVBAGLBSA-N 1 1 323.353 0.707 20 5 DCBDMO C[C@@H]1CN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000823956259 671414509 /nfs/dbraw/zinc/41/45/09/671414509.db2.gz QJVUNMJSCMHUBC-SNVBAGLBSA-N 1 1 323.353 0.707 20 5 DCBDMO Nc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CCO)cc1[N+](=O)[O-] ZINC000833566374 671748640 /nfs/dbraw/zinc/74/86/40/671748640.db2.gz VUNIUUKBDYFQFS-GFCCVEGCSA-N 1 1 322.365 0.754 20 5 DCBDMO COCCOCC[NH+]1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000845773296 672272740 /nfs/dbraw/zinc/27/27/40/672272740.db2.gz OCZWLOMZWXCHCA-UHFFFAOYSA-N 1 1 324.381 0.962 20 5 DCBDMO CC[N@@H+](CCNC(=O)c1cn[nH]n1)Cc1cccc([N+](=O)[O-])c1 ZINC001691029385 1157445817 /nfs/dbraw/zinc/44/58/17/1157445817.db2.gz IZXGROAWVZVYAM-UHFFFAOYSA-N 1 1 318.337 0.965 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])C[C@@H]21 ZINC001579381008 1165290892 /nfs/dbraw/zinc/29/08/92/1165290892.db2.gz IKUFDRBFKQVSDN-SCZZXKLOSA-N 1 1 316.325 0.310 20 5 DCBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1C[N@@H+](C)CCN1C ZINC001586538797 1166495192 /nfs/dbraw/zinc/49/51/92/1166495192.db2.gz QHPSFCQKUSJSPJ-YGRLFVJLSA-N 1 1 321.381 0.541 20 5 DCBDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590213808 1166815354 /nfs/dbraw/zinc/81/53/54/1166815354.db2.gz KMDHRXVATAPRTL-LDYMZIIASA-N 1 1 304.310 0.730 20 5 DCBDMO C[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@H]1CO ZINC001590272172 1166834608 /nfs/dbraw/zinc/83/46/08/1166834608.db2.gz MJRSJVSETGTNKH-ZANVPECISA-N 1 1 318.337 0.978 20 5 DCBDMO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC001593482705 1167869606 /nfs/dbraw/zinc/86/96/06/1167869606.db2.gz QHGJBRMCLFUMPX-AMIZOPFISA-N 1 1 302.294 0.342 20 5 DCBDMO COc1ccc(CNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)cc1[N+](=O)[O-] ZINC001596969932 1167999333 /nfs/dbraw/zinc/99/93/33/1167999333.db2.gz BPFZBJNYKUZRFP-NHYWBVRUSA-N 1 1 323.349 0.675 20 5 DCBDMO Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001626175165 1169595125 /nfs/dbraw/zinc/59/51/25/1169595125.db2.gz RPDOYKXKXLDEGB-RYUDHWBXSA-N 1 1 320.349 0.770 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001604856506 1169714843 /nfs/dbraw/zinc/71/48/43/1169714843.db2.gz ZEXXWQGGRXWOIE-ZDUSSCGKSA-N 1 1 319.325 0.253 20 5 DCBDMO C[N@@H+]1C[C@H]2CN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])C[C@H]2C1 ZINC001604872817 1169722173 /nfs/dbraw/zinc/72/21/73/1169722173.db2.gz YSFNDRZUQQVKDE-DTORHVGOSA-N 1 1 316.325 0.168 20 5 DCBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)n1 ZINC001623488860 1171438427 /nfs/dbraw/zinc/43/84/27/1171438427.db2.gz PRYCBVUWNVXOJM-WDEREUQCSA-N 1 1 323.353 0.092 20 5 DCBDMO C[N@@H+](CCCO)C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC001624290810 1171452801 /nfs/dbraw/zinc/45/28/01/1171452801.db2.gz LGNKSZKMJSTGHW-UHFFFAOYSA-N 1 1 311.342 0.237 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)n1 ZINC001626953922 1171493011 /nfs/dbraw/zinc/49/30/11/1171493011.db2.gz HBQKSKPNFPCYRM-WCQYABFASA-N 1 1 320.349 0.579 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001636885130 1171751598 /nfs/dbraw/zinc/75/15/98/1171751598.db2.gz ULHXNGZXAFGDEB-NWDGAFQWSA-N 1 1 308.338 0.594 20 5 DCBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001641267822 1171910411 /nfs/dbraw/zinc/91/04/11/1171910411.db2.gz TVTBIJYQAPAHKA-JQWIXIFHSA-N 1 1 324.312 0.011 20 5 DCBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001641267822 1171910422 /nfs/dbraw/zinc/91/04/22/1171910422.db2.gz TVTBIJYQAPAHKA-JQWIXIFHSA-N 1 1 324.312 0.011 20 5 DCBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[C@H]1C[N@@H+](C)CCN1C ZINC001641305698 1171911945 /nfs/dbraw/zinc/91/19/45/1171911945.db2.gz CXTWCVUQILZNFD-JOYOIKCWSA-N 1 1 323.353 0.060 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001648402128 1173074158 /nfs/dbraw/zinc/07/41/58/1173074158.db2.gz IVTSRODAEKZLFQ-WDEREUQCSA-N 1 1 309.322 0.859 20 5 DCBDMO CCOc1cc(NC[C@]2(CO)COCC[NH2+]2)ccc1[N+](=O)[O-] ZINC001652189358 1173765229 /nfs/dbraw/zinc/76/52/29/1173765229.db2.gz VOXOTGMVGOZZQW-AWEZNQCLSA-N 1 1 311.338 0.756 20 5 DCBDMO CC[N@H+]1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])nc2C)C(C)(C)C1 ZINC001652602595 1173772743 /nfs/dbraw/zinc/77/27/43/1173772743.db2.gz FMSPVRAYBLGIAR-LLVKDONJSA-N 1 1 309.370 0.946 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCc3cc(O)ccc3C2)c1 ZINC001655922857 1173830392 /nfs/dbraw/zinc/83/03/92/1173830392.db2.gz WDVAKWPSZNVDJT-OAHLLOKOSA-N 1 1 318.333 0.916 20 5 DCBDMO O=C1OCC[C@]12CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC001655919704 1173830626 /nfs/dbraw/zinc/83/06/26/1173830626.db2.gz WRLBMNNCEGIZMS-AWEZNQCLSA-N 1 1 307.306 0.396 20 5 DCBDMO Cn1nccc1CN1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC001655895280 1173830638 /nfs/dbraw/zinc/83/06/38/1173830638.db2.gz WUACJBPTZFMRIQ-UHFFFAOYSA-N 1 1 319.369 0.343 20 5 DCBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@H](CCO)[C@H](CO)C2)c1 ZINC001656540356 1173867261 /nfs/dbraw/zinc/86/72/61/1173867261.db2.gz IMRVCUDHIPZQMG-STQMWFEESA-N 1 1 310.350 0.896 20 5 DCBDMO CN(CCC[N@@H+](C)CCn1cccn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001673434677 1175202025 /nfs/dbraw/zinc/20/20/25/1175202025.db2.gz ROZLDEFYYXDGCY-CHWSQXEVSA-N 1 1 309.370 0.329 20 5 DCBDMO CN(CCC[N@H+](C)CCn1cccn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001673434677 1175202032 /nfs/dbraw/zinc/20/20/32/1175202032.db2.gz ROZLDEFYYXDGCY-CHWSQXEVSA-N 1 1 309.370 0.329 20 5 DCBDMO CN(CCC[N@@H+](C)CCn1cccn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001673434677 1175202033 /nfs/dbraw/zinc/20/20/33/1175202033.db2.gz ROZLDEFYYXDGCY-CHWSQXEVSA-N 1 1 309.370 0.329 20 5 DCBDMO CN(CC(C)(C)C[NH2+]Cc1cn(C)nn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001674832377 1175300553 /nfs/dbraw/zinc/30/05/53/1175300553.db2.gz QXACYAKDTPFRNB-VXGBXAGGSA-N 1 1 324.385 0.055 20 5 DCBDMO C[N@H+]1CC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001675047065 1175322094 /nfs/dbraw/zinc/32/20/94/1175322094.db2.gz ZDXSSGBOGAHXSR-VIFPVBQESA-N 1 1 307.310 0.519 20 5 DCBDMO C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cncc(F)c1 ZINC001712946338 1180577662 /nfs/dbraw/zinc/57/76/62/1180577662.db2.gz WAYTXPSJYBOCTB-CHWSQXEVSA-N 1 1 310.329 0.824 20 5 DCBDMO C[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cncc(F)c1 ZINC001712946338 1180577667 /nfs/dbraw/zinc/57/76/67/1180577667.db2.gz WAYTXPSJYBOCTB-CHWSQXEVSA-N 1 1 310.329 0.824 20 5 DCBDMO C[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cncc(F)c1 ZINC001712946338 1180577672 /nfs/dbraw/zinc/57/76/72/1180577672.db2.gz WAYTXPSJYBOCTB-CHWSQXEVSA-N 1 1 310.329 0.824 20 5 DCBDMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCc1cnn(C)c1 ZINC001713484522 1180863311 /nfs/dbraw/zinc/86/33/11/1180863311.db2.gz KVKDCUHETWBHIC-CHWSQXEVSA-N 1 1 309.370 0.066 20 5 DCBDMO CC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCc1cnn(C)c1 ZINC001713484522 1180863324 /nfs/dbraw/zinc/86/33/24/1180863324.db2.gz KVKDCUHETWBHIC-CHWSQXEVSA-N 1 1 309.370 0.066 20 5 DCBDMO CC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCc1cnn(C)c1 ZINC001713484522 1180863328 /nfs/dbraw/zinc/86/33/28/1180863328.db2.gz KVKDCUHETWBHIC-CHWSQXEVSA-N 1 1 309.370 0.066 20 5 DCBDMO NC(=O)C(=O)NCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001713561555 1180922287 /nfs/dbraw/zinc/92/22/87/1180922287.db2.gz VBSMLNZLXRONFP-UHFFFAOYSA-N 1 1 306.322 0.161 20 5 DCBDMO NC(=O)C(=O)NCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001713561555 1180922291 /nfs/dbraw/zinc/92/22/91/1180922291.db2.gz VBSMLNZLXRONFP-UHFFFAOYSA-N 1 1 306.322 0.161 20 5 DCBDMO Cn1ccnc1C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001714493119 1181391656 /nfs/dbraw/zinc/39/16/56/1181391656.db2.gz HXJRVVFBRUNHIK-VXGBXAGGSA-N 1 1 321.381 0.604 20 5 DCBDMO O=C(NCC1([NH2+]CCCF)CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001716904806 1182562112 /nfs/dbraw/zinc/56/21/12/1182562112.db2.gz RVENBVNUVQZLOV-GHMZBOCLSA-N 1 1 303.334 0.266 20 5 DCBDMO Cc1cc(C[NH2+]CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])ncn1 ZINC001723019481 1184249626 /nfs/dbraw/zinc/24/96/26/1184249626.db2.gz CHJBRGBVMGCTJB-CHWSQXEVSA-N 1 1 307.354 0.388 20 5 DCBDMO Cc1noc(C)c1C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001751974946 1188369346 /nfs/dbraw/zinc/36/93/46/1188369346.db2.gz NNLIUYVEAYUYMI-DGCLKSJQSA-N 1 1 310.354 0.895 20 5 DCBDMO Cc1noc(C)c1C[N@H+](C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001751974946 1188369350 /nfs/dbraw/zinc/36/93/50/1188369350.db2.gz NNLIUYVEAYUYMI-DGCLKSJQSA-N 1 1 310.354 0.895 20 5 DCBDMO Cc1noc(C)c1C[N@@H+](C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001751974946 1188369354 /nfs/dbraw/zinc/36/93/54/1188369354.db2.gz NNLIUYVEAYUYMI-DGCLKSJQSA-N 1 1 310.354 0.895 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)C1C=CC=CC=C1 ZINC001128384172 753623462 /nfs/dbraw/zinc/62/34/62/753623462.db2.gz IQSIAIJFZQFKGX-UHFFFAOYSA-N 1 1 317.349 0.833 20 5 DCBDMO CCC(=O)N1C[C@@H]2C[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C[C@@H]2C1 ZINC001048630772 754824934 /nfs/dbraw/zinc/82/49/34/754824934.db2.gz QESMBLGRQSWHIU-PHIMTYICSA-N 1 1 307.354 0.629 20 5 DCBDMO CCC(=O)N1C[C@@H]2C[N@H+](Cc3c([N+](=O)[O-])ncn3C)C[C@@H]2C1 ZINC001048630772 754824936 /nfs/dbraw/zinc/82/49/36/754824936.db2.gz QESMBLGRQSWHIU-PHIMTYICSA-N 1 1 307.354 0.629 20 5 DCBDMO Cc1oncc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086363365 760100727 /nfs/dbraw/zinc/10/07/27/760100727.db2.gz QAAOWLDKMXRZFU-OJAKKHQRSA-N 1 1 308.338 0.633 20 5 DCBDMO O=C(Cc1nnc[nH]1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001170717430 765296776 /nfs/dbraw/zinc/29/67/76/765296776.db2.gz PFORBGRTXITLJV-UHFFFAOYSA-N 1 1 318.337 0.552 20 5 DCBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001119682588 766773680 /nfs/dbraw/zinc/77/36/80/766773680.db2.gz OELINQOMALFHMU-NWDGAFQWSA-N 1 1 320.349 0.452 20 5 DCBDMO CCOCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001121087615 767397126 /nfs/dbraw/zinc/39/71/26/767397126.db2.gz PYDWHFQMNJQHED-UBDGZGRMSA-N 1 1 311.382 0.705 20 5 DCBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC001149931818 768908913 /nfs/dbraw/zinc/90/89/13/768908913.db2.gz NWWZPLMYWFVOJN-LLVKDONJSA-N 1 1 317.305 0.810 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NCC[N@@H+]2CCCOCC2)n1 ZINC001154722764 770276891 /nfs/dbraw/zinc/27/68/91/770276891.db2.gz PYCVDDVGNZIZMF-UHFFFAOYSA-N 1 1 308.338 0.750 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NCC[N@H+]2CCCOCC2)n1 ZINC001154722764 770276897 /nfs/dbraw/zinc/27/68/97/770276897.db2.gz PYCVDDVGNZIZMF-UHFFFAOYSA-N 1 1 308.338 0.750 20 5 DCBDMO O=C(CN1CCCC1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001151096836 771442276 /nfs/dbraw/zinc/44/22/76/771442276.db2.gz HFJRCRPQOSIQST-UHFFFAOYSA-N 1 1 306.366 0.896 20 5 DCBDMO CCOC(=O)C1=C(Nc2ncnc(OC)c2[N+](=O)[O-])CC[NH2+]C1 ZINC001159452126 771912677 /nfs/dbraw/zinc/91/26/77/771912677.db2.gz BEVUKGOVAVBUJK-UHFFFAOYSA-N 1 1 323.309 0.616 20 5 DCBDMO Nc1nc(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)ncc1[N+](=O)[O-] ZINC001164303004 772642433 /nfs/dbraw/zinc/64/24/33/772642433.db2.gz NCBNISDBLYUZIE-NXEZZACHSA-N 1 1 308.342 0.002 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001196095091 773539009 /nfs/dbraw/zinc/53/90/09/773539009.db2.gz UOMLBBURGDXTPA-TVYUQYBPSA-N 1 1 320.349 0.483 20 5 DCBDMO NC(=O)[C@H](C1CC1)[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC1CC1 ZINC001197087516 773688318 /nfs/dbraw/zinc/68/83/18/773688318.db2.gz XHLFXIAAMCVSKL-ZDUSSCGKSA-N 1 1 307.354 0.767 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1C[C@H](C)OCC[NH+]1CCN(C)CC1 ZINC001224550424 775582335 /nfs/dbraw/zinc/58/23/35/775582335.db2.gz VBZMWHPCTCKNMP-LBPRGKRZSA-N 1 1 311.386 0.752 20 5 DCBDMO C[N@@H+]1CCO[C@H](COc2[nH]c(=O)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001227096684 775926069 /nfs/dbraw/zinc/92/60/69/775926069.db2.gz RLGSDPSBDBOVIF-JTQLQIEISA-N 1 1 320.305 0.953 20 5 DCBDMO C[N@H+]1CCO[C@H](COc2[nH]c(=O)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001227096684 775926079 /nfs/dbraw/zinc/92/60/79/775926079.db2.gz RLGSDPSBDBOVIF-JTQLQIEISA-N 1 1 320.305 0.953 20 5 DCBDMO Cc1[nH]c(=O)nc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1Cl ZINC001227110619 775929090 /nfs/dbraw/zinc/92/90/90/775929090.db2.gz BISBSMAESWXAPH-MRVPVSSYSA-O 1 1 304.754 0.507 20 5 DCBDMO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])nn1 ZINC001268790109 940362375 /nfs/dbraw/zinc/36/23/75/940362375.db2.gz BGBVRPAMHKDENQ-VXGBXAGGSA-N 1 1 323.353 0.089 20 5 DCBDMO C[N@H+]1CC[C@@H]1CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001246197853 945360291 /nfs/dbraw/zinc/36/02/91/945360291.db2.gz UJWVPIMGPKJRQN-SNVBAGLBSA-N 1 1 318.337 0.974 20 5 DCBDMO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2C[NH2+]CC23CNC3)n1 ZINC001247838425 945576089 /nfs/dbraw/zinc/57/60/89/945576089.db2.gz WMIYUCPGKBMXPX-MRVPVSSYSA-N 1 1 320.284 0.455 20 5 DCBDMO COC(=O)[C@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCN1C ZINC001254608348 946414954 /nfs/dbraw/zinc/41/49/54/946414954.db2.gz QUXWDJAETRMYGZ-LSDHHAIUSA-N 1 1 319.361 0.851 20 5 DCBDMO COC(=O)[C@H]1C[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCN1C ZINC001254608348 946414957 /nfs/dbraw/zinc/41/49/57/946414957.db2.gz QUXWDJAETRMYGZ-LSDHHAIUSA-N 1 1 319.361 0.851 20 5 DCBDMO CN(CCC[N@@H+](C)Cc1ccnn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001273507714 947932491 /nfs/dbraw/zinc/93/24/91/947932491.db2.gz KJNYLVFRAIOQEA-CHWSQXEVSA-N 1 1 309.370 0.366 20 5 DCBDMO C[NH+]1CCN(CC2CN(C(=O)CCC(C)(C)[N+](=O)[O-])C2)CC1 ZINC001328393330 948871939 /nfs/dbraw/zinc/87/19/39/948871939.db2.gz AWSONPLYAGZORN-UHFFFAOYSA-N 1 1 312.414 0.528 20 5 DCBDMO Cn1cc(C[N@@H+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)cn1 ZINC001265161560 949393415 /nfs/dbraw/zinc/39/34/15/949393415.db2.gz RVIVYQWHMRRSDA-ZIAGYGMSSA-N 1 1 321.381 0.556 20 5 DCBDMO Cn1cc(C[N@H+](CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)cn1 ZINC001265161560 949393434 /nfs/dbraw/zinc/39/34/34/949393434.db2.gz RVIVYQWHMRRSDA-ZIAGYGMSSA-N 1 1 321.381 0.556 20 5 DCBDMO Cn1cc(C[N@@H+](CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)cn1 ZINC001265161560 949393453 /nfs/dbraw/zinc/39/34/53/949393453.db2.gz RVIVYQWHMRRSDA-ZIAGYGMSSA-N 1 1 321.381 0.556 20 5 DCBDMO Cn1cc(C[N@H+]2CCC[C@H](C(=O)NC3CC3)C2)c([N+](=O)[O-])n1 ZINC001330655745 950577202 /nfs/dbraw/zinc/57/72/02/950577202.db2.gz AKRYHUQXSCUTCB-JTQLQIEISA-N 1 1 307.354 0.819 20 5 DCBDMO Cn1cc(C[N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)c([N+](=O)[O-])n1 ZINC001330655745 950577187 /nfs/dbraw/zinc/57/71/87/950577187.db2.gz AKRYHUQXSCUTCB-JTQLQIEISA-N 1 1 307.354 0.819 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C/C=C\CNC(=O)c1ncc[nH]1 ZINC001274011128 951322777 /nfs/dbraw/zinc/32/27/77/951322777.db2.gz UVBPAYCXOXSGLU-IHWYPQMZSA-N 1 1 319.325 0.127 20 5 DCBDMO CCCCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001281613647 951562292 /nfs/dbraw/zinc/56/22/92/951562292.db2.gz QDQYGOXZHLMRAO-CHWSQXEVSA-N 1 1 313.398 0.785 20 5 DCBDMO O=C(NCC[NH+]1CC=CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001338692753 953043594 /nfs/dbraw/zinc/04/35/94/953043594.db2.gz BPAFAPYFGYZFTL-UHFFFAOYSA-N 1 1 304.306 0.521 20 5 DCBDMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC001346473753 953897940 /nfs/dbraw/zinc/89/79/40/953897940.db2.gz WAGWCHZWRAFKRS-NHYWBVRUSA-N 1 1 316.361 0.872 20 5 DCBDMO Cc1cc(NC(=O)C(=O)NCC[NH+]2CC=CC2)ccc1[N+](=O)[O-] ZINC001348449472 954314897 /nfs/dbraw/zinc/31/48/97/954314897.db2.gz IXHNYWTZSBCCHZ-UHFFFAOYSA-N 1 1 318.333 0.830 20 5 DCBDMO Cc1ccc(NC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)c(N)c1[N+](=O)[O-] ZINC001304497196 960086887 /nfs/dbraw/zinc/08/68/87/960086887.db2.gz DYHNNAMOHIVKKW-YMTOWFKASA-N 1 1 308.338 0.879 20 5 DCBDMO Cc1ccc(NC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)c(N)c1[N+](=O)[O-] ZINC001304497196 960086896 /nfs/dbraw/zinc/08/68/96/960086896.db2.gz DYHNNAMOHIVKKW-YMTOWFKASA-N 1 1 308.338 0.879 20 5 DCBDMO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001308847248 960184522 /nfs/dbraw/zinc/18/45/22/960184522.db2.gz FWIWXQXXALURBD-WDEREUQCSA-N 1 1 312.322 0.891 20 5 DCBDMO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001308847248 960184525 /nfs/dbraw/zinc/18/45/25/960184525.db2.gz FWIWXQXXALURBD-WDEREUQCSA-N 1 1 312.322 0.891 20 5 DCBDMO C[N@@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001471867700 1016679243 /nfs/dbraw/zinc/67/92/43/1016679243.db2.gz IEYPYNSEVRBXON-UHFFFAOYSA-N 1 1 312.282 0.157 20 5 DCBDMO COc1cccc(C(=O)N2CC([NH2+]C3COC3)C2)c1[N+](=O)[O-] ZINC001472156955 1016752506 /nfs/dbraw/zinc/75/25/06/1016752506.db2.gz FWANACAIQDVMRR-UHFFFAOYSA-N 1 1 307.306 0.416 20 5 DCBDMO Cn1cc([N+](=O)[O-])c(N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC001472695774 1016848936 /nfs/dbraw/zinc/84/89/36/1016848936.db2.gz FSDQEKTXAVTAQF-LBPRGKRZSA-N 1 1 308.386 0.545 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001442676077 1009608622 /nfs/dbraw/zinc/60/86/22/1009608622.db2.gz ZLDBBDDJHUIOBD-NWDGAFQWSA-N 1 1 323.353 0.079 20 5 DCBDMO O=[N+]([O-])c1cccnc1NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001458717042 1012324665 /nfs/dbraw/zinc/32/46/65/1012324665.db2.gz UCLNYMNAXVAXDJ-SMDDNHRTSA-N 1 1 308.338 0.627 20 5 DCBDMO O=[N+]([O-])c1cccnc1NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001458717042 1012324684 /nfs/dbraw/zinc/32/46/84/1012324684.db2.gz UCLNYMNAXVAXDJ-SMDDNHRTSA-N 1 1 308.338 0.627 20 5 DCBDMO C[NH+]1CC(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)CC2)C1 ZINC001520659905 1017297588 /nfs/dbraw/zinc/29/75/88/1017297588.db2.gz HYUKUSPYRMULOT-UHFFFAOYSA-N 1 1 319.365 0.249 20 5 DCBDMO CN1CC[NH+](CCCNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000172970408 198171861 /nfs/dbraw/zinc/17/18/61/198171861.db2.gz QZLFPNDTMWJILC-UHFFFAOYSA-N 1 1 320.393 0.891 20 5 DCBDMO CCn1ncnc1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566123343 291272466 /nfs/dbraw/zinc/27/24/66/291272466.db2.gz HKOCDPQBIZVPKQ-GFCCVEGCSA-N 1 1 321.337 0.736 20 5 DCBDMO C[NH+](C)C[C@H](O)CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566233502 291285745 /nfs/dbraw/zinc/28/57/45/291285745.db2.gz LGMFAYSYKJBYPV-LLVKDONJSA-N 1 1 310.354 0.436 20 5 DCBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCOCC1 ZINC000195125237 201343217 /nfs/dbraw/zinc/34/32/17/201343217.db2.gz OUZYXPDCMQMJNY-UHFFFAOYSA-N 1 1 308.338 0.629 20 5 DCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000264724098 204104527 /nfs/dbraw/zinc/10/45/27/204104527.db2.gz LTLYAKITMCLJLQ-ZDUSSCGKSA-N 1 1 307.354 0.962 20 5 DCBDMO CC[N@@H+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000288401711 220133488 /nfs/dbraw/zinc/13/34/88/220133488.db2.gz LFVHVAOGAJFIPM-LLVKDONJSA-N 1 1 308.338 0.309 20 5 DCBDMO CC[N@H+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000288401711 220133490 /nfs/dbraw/zinc/13/34/90/220133490.db2.gz LFVHVAOGAJFIPM-LLVKDONJSA-N 1 1 308.338 0.309 20 5 DCBDMO CC(C)[C@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000339814509 253149903 /nfs/dbraw/zinc/14/99/03/253149903.db2.gz RXEGOVAAUZZFOV-UONOGXRCSA-N 1 1 312.370 0.899 20 5 DCBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)CCO2)c(F)c1 ZINC000350286178 254314959 /nfs/dbraw/zinc/31/49/59/254314959.db2.gz KCRZZTRZMHDFPL-LLVKDONJSA-N 1 1 318.326 0.637 20 5 DCBDMO C[C@@H](O)C[N@H+](CCO)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000289384378 131381701 /nfs/dbraw/zinc/38/17/01/131381701.db2.gz CQKRHDYTNRFTBO-LLVKDONJSA-N 1 1 323.349 0.159 20 5 DCBDMO C[C@@H](O)C[N@@H+](CCO)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000289384378 131381703 /nfs/dbraw/zinc/38/17/03/131381703.db2.gz CQKRHDYTNRFTBO-LLVKDONJSA-N 1 1 323.349 0.159 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000115438697 395840142 /nfs/dbraw/zinc/84/01/42/395840142.db2.gz NLYAXFIQHWCLEO-GFCCVEGCSA-N 1 1 309.370 0.900 20 5 DCBDMO CN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccc[nH+]c21 ZINC000270698917 395799097 /nfs/dbraw/zinc/79/90/97/395799097.db2.gz ZVJBSQFTYSUGIP-GFCCVEGCSA-N 1 1 318.337 0.504 20 5 DCBDMO COC(=O)C[C@@H]1CSCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000123280484 395892734 /nfs/dbraw/zinc/89/27/34/395892734.db2.gz ZTIGSFDKJZXPSF-SNVBAGLBSA-N 1 1 314.367 0.772 20 5 DCBDMO COC(=O)C[C@@H]1CSCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000123280484 395892739 /nfs/dbraw/zinc/89/27/39/395892739.db2.gz ZTIGSFDKJZXPSF-SNVBAGLBSA-N 1 1 314.367 0.772 20 5 DCBDMO CN1CC[C@@H]([N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000273334666 395914125 /nfs/dbraw/zinc/91/41/25/395914125.db2.gz MOVWVNADNNXNIF-DGCLKSJQSA-N 1 1 323.349 0.497 20 5 DCBDMO O=C([C@H]1COCC[NH2+]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000238010855 395920323 /nfs/dbraw/zinc/92/03/23/395920323.db2.gz IYLXESNPJZLGHS-GFCCVEGCSA-N 1 1 320.349 0.232 20 5 DCBDMO Cc1[nH]nc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000064354142 395986493 /nfs/dbraw/zinc/98/64/93/395986493.db2.gz RJNMERNXFBQICM-UHFFFAOYSA-N 1 1 316.321 0.984 20 5 DCBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261781057 396065150 /nfs/dbraw/zinc/06/51/50/396065150.db2.gz PNHYKNPSLYNCHG-ZDUSSCGKSA-N 1 1 316.321 0.359 20 5 DCBDMO COCCC[N@@H+](C)CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000152536696 396012544 /nfs/dbraw/zinc/01/25/44/396012544.db2.gz UWILFQJZCJGWJP-UHFFFAOYSA-N 1 1 310.354 0.875 20 5 DCBDMO Cc1cc[nH+]c(N2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)c1 ZINC000153047481 396019559 /nfs/dbraw/zinc/01/95/59/396019559.db2.gz WYAWJHCEXBNKGU-UHFFFAOYSA-N 1 1 315.337 0.997 20 5 DCBDMO C[C@H]1C[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C[N@H+]1C1CC1 ZINC000177096746 396166208 /nfs/dbraw/zinc/16/62/08/396166208.db2.gz QSJOCCXFAGIQRX-WDEREUQCSA-N 1 1 307.354 0.923 20 5 DCBDMO CC[N@@H+](CCC(=O)OC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075675996 396185215 /nfs/dbraw/zinc/18/52/15/396185215.db2.gz UCCSQFWTHRLHOD-NSHDSACASA-N 1 1 300.315 0.037 20 5 DCBDMO C[C@]1(C(N)=O)CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000280492404 396204173 /nfs/dbraw/zinc/20/41/73/396204173.db2.gz BJPBATWZDPGOSR-DOMZBBRYSA-N 1 1 323.349 0.532 20 5 DCBDMO C[C@]1(C(N)=O)CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000280492416 396204276 /nfs/dbraw/zinc/20/42/76/396204276.db2.gz BJPBATWZDPGOSR-WFASDCNBSA-N 1 1 323.349 0.532 20 5 DCBDMO O=C(CC[N@H+](CCO)CCCO)Nc1ccccc1[N+](=O)[O-] ZINC000283424840 396336218 /nfs/dbraw/zinc/33/62/18/396336218.db2.gz WNOQVMQFPDZUBR-UHFFFAOYSA-N 1 1 311.338 0.600 20 5 DCBDMO COc1ccc(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000186795183 396358432 /nfs/dbraw/zinc/35/84/32/396358432.db2.gz YLIZLJCTRLNHTQ-LLVKDONJSA-N 1 1 323.349 0.742 20 5 DCBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290850020 396474206 /nfs/dbraw/zinc/47/42/06/396474206.db2.gz XGAVCUAJHIZCFB-LDYMZIIASA-N 1 1 305.338 0.983 20 5 DCBDMO C[N@H+]1CC[C@]2(CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000292572614 396556819 /nfs/dbraw/zinc/55/68/19/396556819.db2.gz LJBSLXURLBCKEU-AWEZNQCLSA-N 1 1 322.369 0.529 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000582309687 396603467 /nfs/dbraw/zinc/60/34/67/396603467.db2.gz MACSINUEGTWIFJ-LBPRGKRZSA-N 1 1 309.370 0.625 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000562560737 396670271 /nfs/dbraw/zinc/67/02/71/396670271.db2.gz PWWBLOBFZQYXAX-NSHDSACASA-N 1 1 310.354 0.510 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588863559 396696176 /nfs/dbraw/zinc/69/61/76/396696176.db2.gz QBRACHCNBULZLO-UONOGXRCSA-N 1 1 305.334 0.876 20 5 DCBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCO)CCN1CCOCC1 ZINC000304755019 396732524 /nfs/dbraw/zinc/73/25/24/396732524.db2.gz ZCYGGVJSQAVDRX-UHFFFAOYSA-N 1 1 309.366 0.721 20 5 DCBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCO)CCN1CCOCC1 ZINC000304755019 396732525 /nfs/dbraw/zinc/73/25/25/396732525.db2.gz ZCYGGVJSQAVDRX-UHFFFAOYSA-N 1 1 309.366 0.721 20 5 DCBDMO CC(C)(CO)[NH+]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000591459440 396923398 /nfs/dbraw/zinc/92/33/98/396923398.db2.gz IQOXLIXKZWQYOP-UHFFFAOYSA-N 1 1 322.365 0.587 20 5 DCBDMO O=C(CCOc1ccccc1[N+](=O)[O-])NCC[N@@H+]1CC[C@H](O)C1 ZINC000600808218 396947575 /nfs/dbraw/zinc/94/75/75/396947575.db2.gz MTVUFLRYXNIQBR-LBPRGKRZSA-N 1 1 323.349 0.547 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000600808670 396948216 /nfs/dbraw/zinc/94/82/16/396948216.db2.gz OTRMUOYKYAIPHE-NSHDSACASA-N 1 1 309.322 0.400 20 5 DCBDMO COC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[N@H+](C)C1 ZINC000572343365 397047414 /nfs/dbraw/zinc/04/74/14/397047414.db2.gz WJYITMYXNVQSHW-JTQLQIEISA-N 1 1 324.337 0.110 20 5 DCBDMO COC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[N@@H+](C)C1 ZINC000572343365 397047415 /nfs/dbraw/zinc/04/74/15/397047415.db2.gz WJYITMYXNVQSHW-JTQLQIEISA-N 1 1 324.337 0.110 20 5 DCBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000592206265 397129327 /nfs/dbraw/zinc/12/93/27/397129327.db2.gz YMOIWOUCJQLPNB-VXGBXAGGSA-N 1 1 324.333 0.829 20 5 DCBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1C ZINC000592366614 397160308 /nfs/dbraw/zinc/16/03/08/397160308.db2.gz CGOAQJCRNLKNDE-VIFPVBQESA-N 1 1 315.351 0.586 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000364082604 397180513 /nfs/dbraw/zinc/18/05/13/397180513.db2.gz FZSJYJUWFXVXKL-NEPJUHHUSA-N 1 1 307.354 0.843 20 5 DCBDMO O=C1CC[C@@H](C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)N1 ZINC000593018057 397313178 /nfs/dbraw/zinc/31/31/78/397313178.db2.gz JUBNSCLLULPICY-QWRGUYRKSA-N 1 1 305.338 0.755 20 5 DCBDMO CNS(=O)(=O)CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000598617430 397259852 /nfs/dbraw/zinc/25/98/52/397259852.db2.gz RAHQJRWDYIDQHU-UHFFFAOYSA-N 1 1 301.368 0.618 20 5 DCBDMO CNS(=O)(=O)CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000598617430 397259857 /nfs/dbraw/zinc/25/98/57/397259857.db2.gz RAHQJRWDYIDQHU-UHFFFAOYSA-N 1 1 301.368 0.618 20 5 DCBDMO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000577727105 397355771 /nfs/dbraw/zinc/35/57/71/397355771.db2.gz ZIYJVRQUCAGNTB-OASPWFOLSA-N 1 1 309.322 0.925 20 5 DCBDMO O=[N+]([O-])c1cc2c(cc1CNCC[N@H+]1CC[C@@H](O)C1)OCCO2 ZINC000599010115 397323470 /nfs/dbraw/zinc/32/34/70/397323470.db2.gz PIVZUUQAKXSUEC-GFCCVEGCSA-N 1 1 323.349 0.522 20 5 DCBDMO O=[N+]([O-])c1cc2c(cc1CNCC[N@@H+]1CC[C@@H](O)C1)OCCO2 ZINC000599010115 397323478 /nfs/dbraw/zinc/32/34/78/397323478.db2.gz PIVZUUQAKXSUEC-GFCCVEGCSA-N 1 1 323.349 0.522 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000602784777 397483876 /nfs/dbraw/zinc/48/38/76/397483876.db2.gz HSAPPJJMPUOSJW-UWVGGRQHSA-N 1 1 318.399 0.853 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000602784777 397483883 /nfs/dbraw/zinc/48/38/83/397483883.db2.gz HSAPPJJMPUOSJW-UWVGGRQHSA-N 1 1 318.399 0.853 20 5 DCBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000594345023 397530209 /nfs/dbraw/zinc/53/02/09/397530209.db2.gz CTHLAUGIXDXKLO-UHFFFAOYSA-N 1 1 305.298 0.014 20 5 DCBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCn3cncn3)CC2)cn1 ZINC000608910144 397758173 /nfs/dbraw/zinc/75/81/73/397758173.db2.gz GALNUCXYAOFRBX-UHFFFAOYSA-N 1 1 303.326 0.404 20 5 DCBDMO C[N@H+]1CCN(CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1(C)C ZINC000330434700 159172669 /nfs/dbraw/zinc/17/26/69/159172669.db2.gz YDUYQTJYBRVCCE-UHFFFAOYSA-N 1 1 309.370 0.679 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000193660958 287061124 /nfs/dbraw/zinc/06/11/24/287061124.db2.gz UWVADRIJCGQOOR-HZMBPMFUSA-N 1 1 320.349 0.956 20 5 DCBDMO CCOC[C@@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246462109 287083942 /nfs/dbraw/zinc/08/39/42/287083942.db2.gz FMPJSDJCFHMIDB-YPMHNXCESA-N 1 1 310.354 0.873 20 5 DCBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1COC[C@H]1O ZINC000352813711 415332389 /nfs/dbraw/zinc/33/23/89/415332389.db2.gz DWLHBKCYXVIMKK-WCFLWFBJSA-N 1 1 312.322 0.026 20 5 DCBDMO CN1CCO[C@@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000332291244 415335046 /nfs/dbraw/zinc/33/50/46/415335046.db2.gz JMGUUYSJIVSABL-HUUCEWRRSA-N 1 1 307.350 0.988 20 5 DCBDMO C[C@H](O)C[N@H+](CCO)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000289936727 415738246 /nfs/dbraw/zinc/73/82/46/415738246.db2.gz VEHICTWLMQDHDJ-NSHDSACASA-N 1 1 311.338 0.233 20 5 DCBDMO C[C@H](O)C[N@@H+](CCO)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000289936727 415738250 /nfs/dbraw/zinc/73/82/50/415738250.db2.gz VEHICTWLMQDHDJ-NSHDSACASA-N 1 1 311.338 0.233 20 5 DCBDMO NC(=O)c1ccnc(NCCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000290524240 415815826 /nfs/dbraw/zinc/81/58/26/415815826.db2.gz NIPRQGAWEJGKCF-UHFFFAOYSA-N 1 1 309.326 0.223 20 5 DCBDMO NC(=O)N[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337312279 415942617 /nfs/dbraw/zinc/94/26/17/415942617.db2.gz DZTFXQRZVIITRG-SNVBAGLBSA-N 1 1 321.337 0.666 20 5 DCBDMO CC[NH+]1CCN(C(=O)CNc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000297214861 415957589 /nfs/dbraw/zinc/95/75/89/415957589.db2.gz SKTOQHMFVYJQHM-UHFFFAOYSA-N 1 1 308.342 0.269 20 5 DCBDMO O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000297820771 415976364 /nfs/dbraw/zinc/97/63/64/415976364.db2.gz QNCQDQVPAZIDAN-LLVKDONJSA-N 1 1 323.353 0.958 20 5 DCBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000356738897 415980168 /nfs/dbraw/zinc/98/01/68/415980168.db2.gz FRFUMAKZVGLXBO-GHMZBOCLSA-N 1 1 307.354 0.885 20 5 DCBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@@H](C)C1 ZINC000356899766 416002053 /nfs/dbraw/zinc/00/20/53/416002053.db2.gz DZTIUNKHARAZDR-QWRGUYRKSA-N 1 1 310.354 0.460 20 5 DCBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@@H](C)C1 ZINC000356899766 416002057 /nfs/dbraw/zinc/00/20/57/416002057.db2.gz DZTIUNKHARAZDR-QWRGUYRKSA-N 1 1 310.354 0.460 20 5 DCBDMO C[C@@H]1[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000345290778 416073251 /nfs/dbraw/zinc/07/32/51/416073251.db2.gz LHIMOAWUOVAZFB-MNOVXSKESA-N 1 1 308.338 0.355 20 5 DCBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000301732904 416089495 /nfs/dbraw/zinc/08/94/95/416089495.db2.gz ACTFDHAQPVHDMU-AWEZNQCLSA-N 1 1 310.354 0.793 20 5 DCBDMO CC[N@H+]1C[C@@H](C)N(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000345740823 416142129 /nfs/dbraw/zinc/14/21/29/416142129.db2.gz PLEZMLORSMVFCE-VXGBXAGGSA-N 1 1 324.385 0.915 20 5 DCBDMO C[N@H+]1CC[C@@](O)(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000358052870 416178155 /nfs/dbraw/zinc/17/81/55/416178155.db2.gz GSLRMOTUANUTSE-CQSZACIVSA-N 1 1 311.313 0.459 20 5 DCBDMO COc1cc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000358059551 416182763 /nfs/dbraw/zinc/18/27/63/416182763.db2.gz RRONHFFVRVOIJL-CQSZACIVSA-N 1 1 309.322 0.400 20 5 DCBDMO CC[N@@H+](CCO)CCNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000183953086 416250747 /nfs/dbraw/zinc/25/07/47/416250747.db2.gz LWQWYOGBUKTBLJ-UHFFFAOYSA-N 1 1 309.366 0.876 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000358703605 416270729 /nfs/dbraw/zinc/27/07/29/416270729.db2.gz HBNPFQYIMLYQMK-HNNXBMFYSA-N 1 1 322.365 0.503 20 5 DCBDMO C[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000192187097 416301018 /nfs/dbraw/zinc/30/10/18/416301018.db2.gz XPLYIQFYZIYRBJ-PWSUYJOCSA-N 1 1 300.384 0.980 20 5 DCBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCO)CCN2CCOCC2)c1 ZINC000352252478 416311012 /nfs/dbraw/zinc/31/10/12/416311012.db2.gz ZHHUSFSBFFVSSS-UHFFFAOYSA-N 1 1 309.366 0.721 20 5 DCBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000246871188 416332401 /nfs/dbraw/zinc/33/24/01/416332401.db2.gz UQDSPPHFWITJOM-WCQYABFASA-N 1 1 307.354 0.734 20 5 DCBDMO Nc1nccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000594236400 416558363 /nfs/dbraw/zinc/55/83/63/416558363.db2.gz NVNIUWZNYFMLBE-UWVGGRQHSA-N 1 1 305.338 0.929 20 5 DCBDMO CC[N@@H+]1CCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])[C@H](C)C1 ZINC000594357508 416559822 /nfs/dbraw/zinc/55/98/22/416559822.db2.gz GREOQBGSOVSJNI-SNVBAGLBSA-N 1 1 307.354 1.198 20 5 DCBDMO CC[N@H+]1CCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])[C@H](C)C1 ZINC000594357508 416559828 /nfs/dbraw/zinc/55/98/28/416559828.db2.gz GREOQBGSOVSJNI-SNVBAGLBSA-N 1 1 307.354 1.198 20 5 DCBDMO CNc1nccc(C(=O)NCC[N@H+]2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000584850951 416516541 /nfs/dbraw/zinc/51/65/41/416516541.db2.gz RESNLRNTIMVRHQ-SNVBAGLBSA-N 1 1 307.354 1.103 20 5 DCBDMO Cn1cc([C@@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)C[C@H]2CO)cn1 ZINC000444751254 416866474 /nfs/dbraw/zinc/86/64/74/416866474.db2.gz CQGMQGRGHNCWNC-STQMWFEESA-N 1 1 320.353 0.233 20 5 DCBDMO Nc1nc(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000370566423 416895945 /nfs/dbraw/zinc/89/59/45/416895945.db2.gz WBUFJAWXZWPAHB-MNOVXSKESA-N 1 1 322.369 1.022 20 5 DCBDMO COC(=O)CN1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000429678487 287341312 /nfs/dbraw/zinc/34/13/12/287341312.db2.gz NOBSYLCDCNIKFF-UHFFFAOYSA-N 1 1 307.350 0.928 20 5 DCBDMO COC(=O)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CC[N@H+](C)C1 ZINC000413919623 417252866 /nfs/dbraw/zinc/25/28/66/417252866.db2.gz MTSJPQHKYONYIQ-SNVBAGLBSA-N 1 1 324.337 0.110 20 5 DCBDMO COC(=O)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CC[N@@H+](C)C1 ZINC000413919623 417252869 /nfs/dbraw/zinc/25/28/69/417252869.db2.gz MTSJPQHKYONYIQ-SNVBAGLBSA-N 1 1 324.337 0.110 20 5 DCBDMO COC(=O)c1cnc(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000450779996 417264354 /nfs/dbraw/zinc/26/43/54/417264354.db2.gz PBJLIGVPTNIPMF-JOYOIKCWSA-N 1 1 306.322 0.917 20 5 DCBDMO O=C1NC(=O)[C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000451635448 417369510 /nfs/dbraw/zinc/36/95/10/417369510.db2.gz QRJNHGHCHRTXRV-TXEJJXNPSA-N 1 1 305.290 0.178 20 5 DCBDMO Cc1cc(C[C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000571198745 417431851 /nfs/dbraw/zinc/43/18/51/417431851.db2.gz XJGQKPHYONPVIQ-TVQRCGJNSA-N 1 1 308.342 0.405 20 5 DCBDMO CNc1nc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000455523382 417607168 /nfs/dbraw/zinc/60/71/68/417607168.db2.gz ZOZWWPZKLPWBHW-SNVBAGLBSA-N 1 1 305.338 0.952 20 5 DCBDMO C[N@H+]1CC[C@@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000355617831 261353949 /nfs/dbraw/zinc/35/39/49/261353949.db2.gz KGPFWOMICDVJBH-GFCCVEGCSA-N 1 1 313.379 0.761 20 5 DCBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C(C)(C)CN1CCOCC1 ZINC000412086695 262181267 /nfs/dbraw/zinc/18/12/67/262181267.db2.gz FWMMEEDLMHHVHQ-UHFFFAOYSA-N 1 1 311.386 0.834 20 5 DCBDMO CC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000411922562 271230710 /nfs/dbraw/zinc/23/07/10/271230710.db2.gz UXYXYYJAMVNQOY-JTQLQIEISA-N 1 1 324.312 0.883 20 5 DCBDMO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+]1CCCO ZINC000420639467 271374007 /nfs/dbraw/zinc/37/40/07/271374007.db2.gz QDWSHPHFPCPEJW-NSHDSACASA-N 1 1 322.365 0.952 20 5 DCBDMO CO[C@@H]1COC[C@@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000459821324 272012510 /nfs/dbraw/zinc/01/25/10/272012510.db2.gz FORFBMLNMMOFKZ-HZSPNIEDSA-N 1 1 321.333 0.704 20 5 DCBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1c[nH]nc1[N+](=O)[O-] ZINC000548950547 288188556 /nfs/dbraw/zinc/18/85/56/288188556.db2.gz FJECSWFZGQDPFF-JTQLQIEISA-N 1 1 311.342 0.285 20 5 DCBDMO C[C@H]1C[N@@H+](CCCNC(=O)c2c[nH]nc2[N+](=O)[O-])CCCO1 ZINC000549357284 288196931 /nfs/dbraw/zinc/19/69/31/288196931.db2.gz ZNTHMARYOMSYSX-JTQLQIEISA-N 1 1 311.342 0.549 20 5 DCBDMO C[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)S(C)(=O)=O ZINC000564320118 288735792 /nfs/dbraw/zinc/73/57/92/288735792.db2.gz WETKHJUHZCKAFY-QMMMGPOBSA-N 1 1 312.351 0.994 20 5 DCBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000261767728 303008955 /nfs/dbraw/zinc/00/89/55/303008955.db2.gz QYLGNJPDADEIIK-SNVBAGLBSA-N 1 1 304.310 0.443 20 5 DCBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCS(=O)(=O)NC ZINC000190305960 521281919 /nfs/dbraw/zinc/28/19/19/521281919.db2.gz ASVPPIFHWDXHSB-UHFFFAOYSA-N 1 1 317.367 0.632 20 5 DCBDMO O=C(NCC[N@H+]1CCCOCC1)Nc1ccncc1[N+](=O)[O-] ZINC000188568342 526312076 /nfs/dbraw/zinc/31/20/76/526312076.db2.gz GMDYLGAABIWWBB-UHFFFAOYSA-N 1 1 309.326 0.834 20 5 DCBDMO COCC[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736990312 598500646 /nfs/dbraw/zinc/50/06/46/598500646.db2.gz MYLKJAQDKKONMU-UHFFFAOYSA-N 1 1 322.329 0.160 20 5 DCBDMO Cc1noc(CN2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC000934271283 658264239 /nfs/dbraw/zinc/26/42/39/658264239.db2.gz GFEPIFBPIWPTSO-VXGBXAGGSA-N 1 1 310.354 0.922 20 5 DCBDMO NC(=O)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000054151488 661676677 /nfs/dbraw/zinc/67/66/77/661676677.db2.gz IBSHPKKFSRTYGF-UHFFFAOYSA-N 1 1 324.312 0.413 20 5 DCBDMO Cc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1C ZINC000983652416 661998026 /nfs/dbraw/zinc/99/80/26/661998026.db2.gz CFUKFCJPJOLVMN-HBJVGIJOSA-N 1 1 321.381 0.378 20 5 DCBDMO C[N@@H+]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@@H]1CO ZINC000894887295 662027477 /nfs/dbraw/zinc/02/74/77/662027477.db2.gz ZPTQKDBTDISPJO-GFCCVEGCSA-N 1 1 306.366 0.981 20 5 DCBDMO C[N@H+]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@@H]1CO ZINC000894887295 662027478 /nfs/dbraw/zinc/02/74/78/662027478.db2.gz ZPTQKDBTDISPJO-GFCCVEGCSA-N 1 1 306.366 0.981 20 5 DCBDMO CN(CC(=O)N1CC[NH+](C)CC1)c1ncc([N+](=O)[O-])cc1F ZINC000894958817 662037154 /nfs/dbraw/zinc/03/71/54/662037154.db2.gz SJVCSQRFMRDTNG-UHFFFAOYSA-N 1 1 311.317 0.339 20 5 DCBDMO C[N@@H+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000913553783 664368165 /nfs/dbraw/zinc/36/81/65/664368165.db2.gz QKUWVZAFRREIOR-LBPRGKRZSA-N 1 1 322.365 0.532 20 5 DCBDMO C[N@H+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000913553783 664368167 /nfs/dbraw/zinc/36/81/67/664368167.db2.gz QKUWVZAFRREIOR-LBPRGKRZSA-N 1 1 322.365 0.532 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CCCCCO)CC1 ZINC000913690050 664713169 /nfs/dbraw/zinc/71/31/69/664713169.db2.gz PDIPQNJQQCUTQK-UHFFFAOYSA-N 1 1 324.381 0.854 20 5 DCBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000863328940 667130983 /nfs/dbraw/zinc/13/09/83/667130983.db2.gz HJJIKZBJQNORKB-BOTMBNHJSA-N 1 1 305.334 0.791 20 5 DCBDMO Cc1nn(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC000863338043 667131728 /nfs/dbraw/zinc/13/17/28/667131728.db2.gz DKOUYZJXFBMSAB-BXKDBHETSA-N 1 1 317.305 0.710 20 5 DCBDMO Cc1nn(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC000863338043 667131730 /nfs/dbraw/zinc/13/17/30/667131730.db2.gz DKOUYZJXFBMSAB-BXKDBHETSA-N 1 1 317.305 0.710 20 5 DCBDMO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000764272262 668441750 /nfs/dbraw/zinc/44/17/50/668441750.db2.gz FCUXVZCSBFOOIL-LLVKDONJSA-N 1 1 323.353 0.691 20 5 DCBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1Cn1nccc1[N+](=O)[O-] ZINC000782898617 669130660 /nfs/dbraw/zinc/13/06/60/669130660.db2.gz MPCUVLZIUILMJU-LBPRGKRZSA-N 1 1 309.370 0.934 20 5 DCBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000931405408 669194166 /nfs/dbraw/zinc/19/41/66/669194166.db2.gz BGMVFNYPKIQRIM-SMDDNHRTSA-N 1 1 322.365 0.530 20 5 DCBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000931405408 669194171 /nfs/dbraw/zinc/19/41/71/669194171.db2.gz BGMVFNYPKIQRIM-SMDDNHRTSA-N 1 1 322.365 0.530 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880579721 669241585 /nfs/dbraw/zinc/24/15/85/669241585.db2.gz UPONNVAJAKXGJA-ZDUSSCGKSA-N 1 1 324.381 0.963 20 5 DCBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000931725306 669255258 /nfs/dbraw/zinc/25/52/58/669255258.db2.gz WOZYNGZCFLVQGY-SCRDCRAPSA-N 1 1 309.370 0.321 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000932298602 669344035 /nfs/dbraw/zinc/34/40/35/669344035.db2.gz NMFOWQYFAFPDSW-GFCCVEGCSA-N 1 1 307.354 0.700 20 5 DCBDMO C[N@H+]1C[C@@H]2CN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000933741599 669530103 /nfs/dbraw/zinc/53/01/03/669530103.db2.gz YFRKLIKGDFMKDW-BNOWGMLFSA-N 1 1 309.370 0.036 20 5 DCBDMO CN1C[C@@H]2C[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000933741599 669530124 /nfs/dbraw/zinc/53/01/24/669530124.db2.gz YFRKLIKGDFMKDW-BNOWGMLFSA-N 1 1 309.370 0.036 20 5 DCBDMO CN1C[C@@H]2C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000933741599 669530128 /nfs/dbraw/zinc/53/01/28/669530128.db2.gz YFRKLIKGDFMKDW-BNOWGMLFSA-N 1 1 309.370 0.036 20 5 DCBDMO Cn1cc(CN2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c([N+](=O)[O-])n1 ZINC000934277058 669590313 /nfs/dbraw/zinc/59/03/13/669590313.db2.gz YEUZKZKGOQKBGN-STQMWFEESA-N 1 1 309.370 0.359 20 5 DCBDMO C[C@@H]1CSCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000934301089 669593011 /nfs/dbraw/zinc/59/30/11/669593011.db2.gz SSCTVHYPXWXDSS-ZYHUDNBSSA-N 1 1 300.384 0.980 20 5 DCBDMO Cc1nn(C)c(C(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000812322017 670573406 /nfs/dbraw/zinc/57/34/06/670573406.db2.gz GNGSYDIXCCZXIY-MNOVXSKESA-N 1 1 307.354 0.660 20 5 DCBDMO Cc1cc(F)cc(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-] ZINC000848306655 670667208 /nfs/dbraw/zinc/66/72/08/670667208.db2.gz XDGVPDCEKNNHRQ-NWDGAFQWSA-N 1 1 323.324 0.933 20 5 DCBDMO O=C1COc2cc([N+](=O)[O-])c(NCC[N@@H+]3CC[C@@H](O)C3)cc2N1 ZINC000858811515 671043212 /nfs/dbraw/zinc/04/32/12/671043212.db2.gz BSWOHONZDCVAQF-SECBINFHSA-N 1 1 322.321 0.404 20 5 DCBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823926604 671413181 /nfs/dbraw/zinc/41/31/81/671413181.db2.gz DHWQLEKTLDBOCG-JTQLQIEISA-N 1 1 323.353 0.707 20 5 DCBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823926604 671413183 /nfs/dbraw/zinc/41/31/83/671413183.db2.gz DHWQLEKTLDBOCG-JTQLQIEISA-N 1 1 323.353 0.707 20 5 DCBDMO Cc1ccc(CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000825648490 671468636 /nfs/dbraw/zinc/46/86/36/671468636.db2.gz SRHUJLWVSPSLPK-OAHLLOKOSA-N 1 1 318.377 0.909 20 5 DCBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000827278652 671520943 /nfs/dbraw/zinc/52/09/43/671520943.db2.gz XPSISBSLAUWGLJ-GXSJLCMTSA-N 1 1 306.322 0.862 20 5 DCBDMO C[N@H+]1CC[C@H]2CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC[C@@H]21 ZINC000827328260 671522793 /nfs/dbraw/zinc/52/27/93/671522793.db2.gz DKJFOPMLRVCLGG-AAEUAGOBSA-N 1 1 320.349 0.309 20 5 DCBDMO C[C@H](NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000827378424 671525496 /nfs/dbraw/zinc/52/54/96/671525496.db2.gz QWWZWCYWGOOGKB-GDLCADMTSA-N 1 1 323.349 0.464 20 5 DCBDMO C[C@H](NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000827378424 671525498 /nfs/dbraw/zinc/52/54/98/671525498.db2.gz QWWZWCYWGOOGKB-GDLCADMTSA-N 1 1 323.349 0.464 20 5 DCBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000845722789 672271396 /nfs/dbraw/zinc/27/13/96/672271396.db2.gz KQIFLTVTYBCAFW-GFCCVEGCSA-N 1 1 320.349 0.210 20 5 DCBDMO CC[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(C)C ZINC000845916940 672282600 /nfs/dbraw/zinc/28/26/00/672282600.db2.gz DTVISZPZSTYCNX-UHFFFAOYSA-N 1 1 316.383 0.998 20 5 DCBDMO C[N@H+]1CC[C@@](O)(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000867418019 672309361 /nfs/dbraw/zinc/30/93/61/672309361.db2.gz PRCHKUJGIWOBPC-CQSZACIVSA-N 1 1 311.313 0.459 20 5 DCBDMO Cc1nocc1C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001072721064 694656921 /nfs/dbraw/zinc/65/69/21/694656921.db2.gz BSCVDGZLHLAKKE-CHWSQXEVSA-N 1 1 320.349 0.683 20 5 DCBDMO CN(CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)CC(N)=O ZINC001755036154 1157909589 /nfs/dbraw/zinc/90/95/89/1157909589.db2.gz BQUYWEJXWYZXAY-UHFFFAOYSA-N 1 1 322.365 0.751 20 5 DCBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001566330763 1159972331 /nfs/dbraw/zinc/97/23/31/1159972331.db2.gz OFUWHKYETCKTRH-LDYMZIIASA-N 1 1 305.338 0.785 20 5 DCBDMO COc1cc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])ccn1 ZINC001568848400 1160814355 /nfs/dbraw/zinc/81/43/55/1160814355.db2.gz JVDVCAUDFCVFIP-XCUNLHGCSA-N 1 1 320.349 0.517 20 5 DCBDMO CN(C[C@H]1C[C@@H](O)C1)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001578485742 1165032222 /nfs/dbraw/zinc/03/22/22/1165032222.db2.gz DXOCJDPGLYJGSO-ZBINZKHDSA-N 1 1 307.350 0.998 20 5 DCBDMO CC[N@H+]1CCCN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001590732355 1166990085 /nfs/dbraw/zinc/99/00/85/1166990085.db2.gz NSOLTZPBQGNDJT-UHFFFAOYSA-N 1 1 318.341 0.702 20 5 DCBDMO Nc1ncc(C(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)cc1[N+](=O)[O-] ZINC001635741845 1171712888 /nfs/dbraw/zinc/71/28/88/1171712888.db2.gz ZMHSFMZYUSHJJK-MNOVXSKESA-N 1 1 323.328 0.830 20 5 DCBDMO C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1CO ZINC001644090178 1171996141 /nfs/dbraw/zinc/99/61/41/1171996141.db2.gz JPXNOBOVUBWXOU-LBPRGKRZSA-N 1 1 310.310 0.611 20 5 DCBDMO C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1CO ZINC001644090178 1171996144 /nfs/dbraw/zinc/99/61/44/1171996144.db2.gz JPXNOBOVUBWXOU-LBPRGKRZSA-N 1 1 310.310 0.611 20 5 DCBDMO CO[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC001653654229 1173793141 /nfs/dbraw/zinc/79/31/41/1173793141.db2.gz VVOFGYJLIHEXRA-CHWSQXEVSA-N 1 1 312.370 0.899 20 5 DCBDMO C[C@@](CO)([NH2+]CCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC001654503161 1173806786 /nfs/dbraw/zinc/80/67/86/1173806786.db2.gz IZCZFRDYMYWCFQ-LBPRGKRZSA-N 1 1 302.352 0.437 20 5 DCBDMO C[C@]12C[N@@H+](Cc3cccnc3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC001655296613 1173818175 /nfs/dbraw/zinc/81/81/75/1173818175.db2.gz KYFGURPORQUPFR-OKILXGFUSA-N 1 1 304.306 0.474 20 5 DCBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H](c3nn[nH]n3)C2)cc1 ZINC001655439170 1173820032 /nfs/dbraw/zinc/82/00/32/1173820032.db2.gz IWMRTFZNDIULIQ-JTQLQIEISA-N 1 1 304.310 0.976 20 5 DCBDMO Cc1nnsc1C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001656914885 1173893242 /nfs/dbraw/zinc/89/32/42/1173893242.db2.gz RTIBEZJJKRCQOX-DGCLKSJQSA-N 1 1 324.362 0.939 20 5 DCBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cn(CC(N)=O)nn1 ZINC001657878460 1173916736 /nfs/dbraw/zinc/91/67/36/1173916736.db2.gz NQBDCKHIGUXRJF-UHFFFAOYSA-N 1 1 318.337 0.346 20 5 DCBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cn(CC(N)=O)nn1 ZINC001657878460 1173916742 /nfs/dbraw/zinc/91/67/42/1173916742.db2.gz NQBDCKHIGUXRJF-UHFFFAOYSA-N 1 1 318.337 0.346 20 5 DCBDMO COCC[N@H+](CCO)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001658368611 1173922220 /nfs/dbraw/zinc/92/22/20/1173922220.db2.gz OJBDUNYRSFEESR-UHFFFAOYSA-N 1 1 300.311 0.750 20 5 DCBDMO COCC[N@@H+](CCO)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001658368611 1173922222 /nfs/dbraw/zinc/92/22/22/1173922222.db2.gz OJBDUNYRSFEESR-UHFFFAOYSA-N 1 1 300.311 0.750 20 5 DCBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@H](CO)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC001658943454 1173928820 /nfs/dbraw/zinc/92/88/20/1173928820.db2.gz XJTMTAPXJONVGY-BXUZGUMPSA-N 1 1 323.349 0.517 20 5 DCBDMO CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccnn1C ZINC001660524792 1174004379 /nfs/dbraw/zinc/00/43/79/1174004379.db2.gz IUIDHSRUYYPDJH-CHWSQXEVSA-N 1 1 309.370 0.414 20 5 DCBDMO CC[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccnn1C ZINC001660524792 1174004384 /nfs/dbraw/zinc/00/43/84/1174004384.db2.gz IUIDHSRUYYPDJH-CHWSQXEVSA-N 1 1 309.370 0.414 20 5 DCBDMO CC[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccnn1C ZINC001660524792 1174004385 /nfs/dbraw/zinc/00/43/85/1174004385.db2.gz IUIDHSRUYYPDJH-CHWSQXEVSA-N 1 1 309.370 0.414 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C/C=C\CNC(=O)C1(C)CC1 ZINC001699264246 1178005610 /nfs/dbraw/zinc/00/56/10/1178005610.db2.gz YFYJJPCSVIMVCC-ARJAWSKDSA-N 1 1 307.354 0.890 20 5 DCBDMO CCN(CC[NH2+]Cc1cccnc1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001715732136 1181964534 /nfs/dbraw/zinc/96/45/34/1181964534.db2.gz QYMJGUIPWLGMQG-ZIAGYGMSSA-N 1 1 306.366 0.993 20 5 DCBDMO CN(CC[NH2+]CCCC1CCOCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001731908971 1185565705 /nfs/dbraw/zinc/56/57/05/1185565705.db2.gz XAIJCLBCGFDNSP-ZIAGYGMSSA-N 1 1 313.398 0.906 20 5 DCBDMO CCN(CC[NH2+]CCC1CCOCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001732775056 1185961195 /nfs/dbraw/zinc/96/11/95/1185961195.db2.gz NJCPFFNGUFRHBW-ZIAGYGMSSA-N 1 1 313.398 0.906 20 5 DCBDMO O=C(NCC1=CC[N@@H+](CCOCC2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001734623453 1186709172 /nfs/dbraw/zinc/70/91/72/1186709172.db2.gz DKDNVQWOMUORTQ-HUUCEWRRSA-N 1 1 323.393 0.827 20 5 DCBDMO O=C(NCC1=CC[N@H+](CCOCC2CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001734623453 1186709176 /nfs/dbraw/zinc/70/91/76/1186709176.db2.gz DKDNVQWOMUORTQ-HUUCEWRRSA-N 1 1 323.393 0.827 20 5 DCBDMO O=C(NCC1=CC[N@@H+](CCOCC2CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001734623453 1186709178 /nfs/dbraw/zinc/70/91/78/1186709178.db2.gz DKDNVQWOMUORTQ-HUUCEWRRSA-N 1 1 323.393 0.827 20 5 DCBDMO C[N@H+](CCNC(=O)C1(C(N)=O)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001753062504 1188488053 /nfs/dbraw/zinc/48/80/53/1188488053.db2.gz JTXCMYYEKQMOGP-UHFFFAOYSA-N 1 1 320.349 0.408 20 5 DCBDMO C[N@@H+](CCNC(=O)C1(C(N)=O)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001753062504 1188488058 /nfs/dbraw/zinc/48/80/58/1188488058.db2.gz JTXCMYYEKQMOGP-UHFFFAOYSA-N 1 1 320.349 0.408 20 5 DCBDMO CC(C)CC[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001754736647 1188913658 /nfs/dbraw/zinc/91/36/58/1188913658.db2.gz VGKGZGQIPGTDHW-CHWSQXEVSA-N 1 1 313.398 0.953 20 5 DCBDMO Cc1ncoc1C[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001755036360 1189003097 /nfs/dbraw/zinc/00/30/97/1189003097.db2.gz CLLMJDJBZCXDSJ-VXGBXAGGSA-N 1 1 310.354 0.929 20 5 DCBDMO N=c1cc(C[NH3+])ncn1-c1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001167351436 747124875 /nfs/dbraw/zinc/12/48/75/747124875.db2.gz SPFKRJVEKUICFO-UHFFFAOYSA-N 1 1 315.268 0.801 20 5 DCBDMO CCc1nc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)co1 ZINC001126061774 748203502 /nfs/dbraw/zinc/20/35/02/748203502.db2.gz LWILXNWDCAHDGY-UHFFFAOYSA-N 1 1 322.325 0.398 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)Cc1ccoc1 ZINC001126131207 748233111 /nfs/dbraw/zinc/23/31/11/748233111.db2.gz OJNVCTHPYCNJNG-UHFFFAOYSA-N 1 1 307.310 0.370 20 5 DCBDMO CC[N@H+]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001116345344 752754351 /nfs/dbraw/zinc/75/43/51/752754351.db2.gz QXZXYOYGPGCOCL-UHFFFAOYSA-N 1 1 308.338 0.311 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1ccccc1F ZINC001122754710 767869612 /nfs/dbraw/zinc/86/96/12/767869612.db2.gz SFMHWNWRWMGIMW-UHFFFAOYSA-N 1 1 321.312 0.987 20 5 DCBDMO Cc1noc(C)c1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086082337 759691267 /nfs/dbraw/zinc/69/12/67/759691267.db2.gz KBCFPODESRMNCG-GFQSEFKGSA-N 1 1 322.365 0.941 20 5 DCBDMO CCn1cnc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)c1 ZINC001148033026 767910015 /nfs/dbraw/zinc/91/00/15/767910015.db2.gz DUMAOCCNMQMTHC-UHFFFAOYSA-N 1 1 321.341 0.064 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)Cc1cncs1 ZINC001129969906 763068029 /nfs/dbraw/zinc/06/80/29/763068029.db2.gz PKUYOUHNEQJTQM-UHFFFAOYSA-N 1 1 324.366 0.233 20 5 DCBDMO Cn1cc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])nn1 ZINC001120560684 767078799 /nfs/dbraw/zinc/07/87/99/767078799.db2.gz HOFJREUGRAIBIA-LLVKDONJSA-N 1 1 307.310 0.253 20 5 DCBDMO Cn1c(C[N+](=O)[O-])nnc1N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001121297505 767503752 /nfs/dbraw/zinc/50/37/52/767503752.db2.gz AWMMMEHZKAJGDI-GASCZTMLSA-N 1 1 320.397 0.904 20 5 DCBDMO C[N+](C)(C)C[C@H](O)CC(=O)Oc1[nH]c(=O)nc2cc(F)ccc21 ZINC001230884215 768901158 /nfs/dbraw/zinc/90/11/58/768901158.db2.gz OFNXORWAWUUBFZ-SNVBAGLBSA-O 1 1 324.332 0.837 20 5 DCBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)n2nnc(C[NH3+])n2)c1F ZINC001173180580 769557056 /nfs/dbraw/zinc/55/70/56/769557056.db2.gz WWNYTQCBOOVEQJ-SSDOTTSWSA-N 1 1 310.289 0.991 20 5 DCBDMO Cn1cc(C[NH2+]CCCCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001178458538 770759467 /nfs/dbraw/zinc/75/94/67/770759467.db2.gz KMRVUAILDFCMSP-ZIAGYGMSSA-N 1 1 323.397 0.852 20 5 DCBDMO CN(C)C(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178458719 770759876 /nfs/dbraw/zinc/75/98/76/770759876.db2.gz UVIGKDRBDIKLGL-VXGBXAGGSA-N 1 1 314.386 0.006 20 5 DCBDMO COC(=O)[C@H]1C[N@H+](C)CCN1c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001157771968 771667757 /nfs/dbraw/zinc/66/77/57/771667757.db2.gz BJPCXMYHIHWBMN-LLVKDONJSA-N 1 1 319.321 0.765 20 5 DCBDMO COC(=O)[C@H]1C[N@@H+](C)CCN1c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001157771968 771667762 /nfs/dbraw/zinc/66/77/62/771667762.db2.gz BJPCXMYHIHWBMN-LLVKDONJSA-N 1 1 319.321 0.765 20 5 DCBDMO CNC(=O)C[NH+]1CCC(Nc2ncnc(OC)c2[N+](=O)[O-])CC1 ZINC001161135355 772172717 /nfs/dbraw/zinc/17/27/17/772172717.db2.gz DHFUYIVOVNKJPJ-UHFFFAOYSA-N 1 1 324.341 0.016 20 5 DCBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001165144763 772700734 /nfs/dbraw/zinc/70/07/34/772700734.db2.gz JXACKCVLYBJYIE-AOOOYVTPSA-N 1 1 306.322 0.774 20 5 DCBDMO C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC001209656332 773631653 /nfs/dbraw/zinc/63/16/53/773631653.db2.gz IAAOFYWKAPNSRZ-VIFPVBQESA-N 1 1 321.337 0.767 20 5 DCBDMO CCCn1c(C)nnc1CNCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001493545836 942703299 /nfs/dbraw/zinc/70/32/99/942703299.db2.gz QQKCPTAUEGXBST-VXGBXAGGSA-N 1 1 324.385 0.210 20 5 DCBDMO CN(CCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C(N)=O ZINC001280850084 944655933 /nfs/dbraw/zinc/65/59/33/944655933.db2.gz MVMSLKSCNKIFNA-UHFFFAOYSA-N 1 1 308.338 0.360 20 5 DCBDMO C[C@H]1C[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC001319591299 945625881 /nfs/dbraw/zinc/62/58/81/945625881.db2.gz HOTFMMZKZXXTSC-QWRGUYRKSA-N 1 1 320.349 0.498 20 5 DCBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC001320223052 945774967 /nfs/dbraw/zinc/77/49/67/945774967.db2.gz RFRNIQRHSZINGL-AWEZNQCLSA-N 1 1 308.338 0.433 20 5 DCBDMO Cc1[nH+]ccn1CCCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001324266516 947371430 /nfs/dbraw/zinc/37/14/30/947371430.db2.gz MDLOJBFGNFMBPU-UHFFFAOYSA-N 1 1 319.321 0.468 20 5 DCBDMO O=[N+]([O-])c1ccc(C[NH+]2C[C@@H](CO)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC001328918564 949197597 /nfs/dbraw/zinc/19/75/97/949197597.db2.gz JCSMZYSTZGTFDC-QWRGUYRKSA-N 1 1 311.294 0.536 20 5 DCBDMO Cc1ncc(C[N@@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001490193813 950409787 /nfs/dbraw/zinc/40/97/87/950409787.db2.gz YTJQAAWFNXWPNK-CHWSQXEVSA-N 1 1 307.354 0.388 20 5 DCBDMO Cc1ncc(C[N@H+](C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001490193813 950409798 /nfs/dbraw/zinc/40/97/98/950409798.db2.gz YTJQAAWFNXWPNK-CHWSQXEVSA-N 1 1 307.354 0.388 20 5 DCBDMO Cc1ncc(C[N@@H+](C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001490193813 950409817 /nfs/dbraw/zinc/40/98/17/950409817.db2.gz YTJQAAWFNXWPNK-CHWSQXEVSA-N 1 1 307.354 0.388 20 5 DCBDMO CC(=O)NCC[NH+]1CCC(NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC001279416257 950568262 /nfs/dbraw/zinc/56/82/62/950568262.db2.gz OFZJLEVVYGLVED-UHFFFAOYSA-N 1 1 324.385 0.018 20 5 DCBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001334938027 952416583 /nfs/dbraw/zinc/41/65/83/952416583.db2.gz XYEPREWLDZZVIJ-JQWIXIFHSA-N 1 1 320.349 0.355 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC001338462069 953016616 /nfs/dbraw/zinc/01/66/16/953016616.db2.gz KZOBBLMYQYIWTL-UHTWSYAYSA-N 1 1 307.354 0.638 20 5 DCBDMO C[NH+]1CC(N2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001347363859 954078792 /nfs/dbraw/zinc/07/87/92/954078792.db2.gz ZFOQFUCLMPXICD-UHFFFAOYSA-N 1 1 318.377 0.596 20 5 DCBDMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001347386548 954083139 /nfs/dbraw/zinc/08/31/39/954083139.db2.gz YQRPSXRCRRARKF-WFASDCNBSA-N 1 1 318.377 0.642 20 5 DCBDMO C[N@H+]1CC[C@H]2CN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)CC[C@H]21 ZINC001348971317 954553385 /nfs/dbraw/zinc/55/33/85/954553385.db2.gz TUHVBNVSVIDPQH-NWDGAFQWSA-N 1 1 320.349 0.309 20 5 DCBDMO C[NH+]1CCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC001349648967 954828610 /nfs/dbraw/zinc/82/86/10/954828610.db2.gz 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CC1(C)CCC[N@H+]1CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001468935325 1016293430 /nfs/dbraw/zinc/29/34/30/1016293430.db2.gz QGGYDPZDXYXEJY-UHFFFAOYSA-N 1 1 322.365 0.747 20 5 DCBDMO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)CC[N+](=O)[O-] ZINC001559901607 1012436095 /nfs/dbraw/zinc/43/60/95/1012436095.db2.gz GKYHRMUIDAOYBH-UHFFFAOYSA-N 1 1 321.330 0.060 20 5 DCBDMO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1F)CC[N+](=O)[O-] ZINC001559901607 1012436100 /nfs/dbraw/zinc/43/61/00/1012436100.db2.gz GKYHRMUIDAOYBH-UHFFFAOYSA-N 1 1 321.330 0.060 20 5 DCBDMO Cn1cc(C[NH+]2CCC(c3nc(N)n[nH]3)CC2)c([N+](=O)[O-])n1 ZINC001559878123 1012436685 /nfs/dbraw/zinc/43/66/85/1012436685.db2.gz SQJYAESXJZNZLG-UHFFFAOYSA-N 1 1 306.330 0.408 20 5 DCBDMO CC[N@H+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC001564312539 1012522587 /nfs/dbraw/zinc/52/25/87/1012522587.db2.gz BOQNKYVRPVQBQW-NSHDSACASA-N 1 1 310.358 0.527 20 5 DCBDMO CCc1n[nH]c(C(=O)NCC[N@@H+](C)CCCOC)c1[N+](=O)[O-] ZINC000173563089 198227821 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DXSONEYXJHTPMU-KBPBESRZSA-N 1 1 319.361 0.805 20 5 DCBDMO C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@H]1C[N@H+](C)CCO1 ZINC000596168789 396727299 /nfs/dbraw/zinc/72/72/99/396727299.db2.gz XJDDEEDJQWXQTP-TVQRCGJNSA-N 1 1 308.338 0.825 20 5 DCBDMO C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000596168789 396727303 /nfs/dbraw/zinc/72/73/03/396727303.db2.gz XJDDEEDJQWXQTP-TVQRCGJNSA-N 1 1 308.338 0.825 20 5 DCBDMO CCOCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596114044 396718944 /nfs/dbraw/zinc/71/89/44/396718944.db2.gz GYQXOSZAIGSJNT-UHFFFAOYSA-N 1 1 322.365 0.852 20 5 DCBDMO C[C@@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000596224277 396736537 /nfs/dbraw/zinc/73/65/37/396736537.db2.gz YOTKKUMITIQINE-SNVBAGLBSA-N 1 1 310.354 0.977 20 5 DCBDMO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccc(N)c([N+](=O)[O-])n1 ZINC000596231445 396739228 /nfs/dbraw/zinc/73/92/28/396739228.db2.gz IYDNTPBPLBMREY-GHMZBOCLSA-N 1 1 307.354 0.871 20 5 DCBDMO 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20 5 DCBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594197266 397512194 /nfs/dbraw/zinc/51/21/94/397512194.db2.gz BLGXCFLSJAXGHI-WDEREUQCSA-N 1 1 308.342 0.319 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+](C)C[C@@H]1CO ZINC000602905243 397519115 /nfs/dbraw/zinc/51/91/15/397519115.db2.gz QAIZBZFNLJOHPT-CYBMUJFWSA-N 1 1 322.365 0.450 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@H+](C)C[C@@H]1CO ZINC000602905243 397519117 /nfs/dbraw/zinc/51/91/17/397519117.db2.gz QAIZBZFNLJOHPT-CYBMUJFWSA-N 1 1 322.365 0.450 20 5 DCBDMO C[N@H+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](CO)C1 ZINC000602904100 397519275 /nfs/dbraw/zinc/51/92/75/397519275.db2.gz ISVICUMOEUFGIF-AWEZNQCLSA-N 1 1 322.365 0.532 20 5 DCBDMO CN1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](CO)C1 ZINC000602904100 397519276 /nfs/dbraw/zinc/51/92/76/397519276.db2.gz ISVICUMOEUFGIF-AWEZNQCLSA-N 1 1 322.365 0.532 20 5 DCBDMO CN1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](CO)C1 ZINC000602904100 397519279 /nfs/dbraw/zinc/51/92/79/397519279.db2.gz ISVICUMOEUFGIF-AWEZNQCLSA-N 1 1 322.365 0.532 20 5 DCBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNc2cccnc2[N+](=O)[O-])C1 ZINC000608885515 397758386 /nfs/dbraw/zinc/75/83/86/397758386.db2.gz WUPGTYCEASDFLE-LLVKDONJSA-N 1 1 307.354 0.989 20 5 DCBDMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000609134948 397761893 /nfs/dbraw/zinc/76/18/93/397761893.db2.gz CMCUEMKBGPZVMY-OLZOCXBDSA-N 1 1 308.338 0.594 20 5 DCBDMO CC[N@H+]1CCC[C@@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000151656007 287035188 /nfs/dbraw/zinc/03/51/88/287035188.db2.gz CSRGCLYZLAMIJS-LBPRGKRZSA-N 1 1 324.385 0.822 20 5 DCBDMO COC(=O)C[C@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246453900 287083488 /nfs/dbraw/zinc/08/34/88/287083488.db2.gz FCLGNOYTVILFRD-ZYHUDNBSSA-N 1 1 312.326 0.180 20 5 DCBDMO C[N@@H+](CCC(N)=O)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000353192261 415468506 /nfs/dbraw/zinc/46/85/06/415468506.db2.gz LCFIDBOGWIYSRY-GFCCVEGCSA-N 1 1 306.322 0.507 20 5 DCBDMO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1(CO)CC1 ZINC000285459802 415616109 /nfs/dbraw/zinc/61/61/09/415616109.db2.gz JRKBQQHZSBNGSE-UHFFFAOYSA-N 1 1 305.334 0.941 20 5 DCBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1(CO)CC1 ZINC000285459802 415616116 /nfs/dbraw/zinc/61/61/16/415616116.db2.gz JRKBQQHZSBNGSE-UHFFFAOYSA-N 1 1 305.334 0.941 20 5 DCBDMO CO[C@@H]1C[C@H](CN(C)c2cccc(C(N)=O)c2[N+](=O)[O-])[N@@H+](C)C1 ZINC000343876908 415761494 /nfs/dbraw/zinc/76/14/94/415761494.db2.gz WGNZMXOIPLWWSM-GHMZBOCLSA-N 1 1 322.365 0.849 20 5 DCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000127852540 415892035 /nfs/dbraw/zinc/89/20/35/415892035.db2.gz BVADPJGUAHOFDG-WDEREUQCSA-N 1 1 307.354 0.885 20 5 DCBDMO Cn1cc[nH+]c1N1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000295951853 415901307 /nfs/dbraw/zinc/90/13/07/415901307.db2.gz UNNISESOUOPGCA-UHFFFAOYSA-N 1 1 309.370 0.904 20 5 DCBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)[C@@H](C)C1 ZINC000356894181 416000359 /nfs/dbraw/zinc/00/03/59/416000359.db2.gz KISMITZNQKIKRP-UWVGGRQHSA-N 1 1 323.353 0.099 20 5 DCBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)[C@@H](C)C1 ZINC000356894181 416000362 /nfs/dbraw/zinc/00/03/62/416000362.db2.gz KISMITZNQKIKRP-UWVGGRQHSA-N 1 1 323.353 0.099 20 5 DCBDMO C[N@@H+](CCc1cnccn1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000357046102 416025093 /nfs/dbraw/zinc/02/50/93/416025093.db2.gz ULZJQVGDHMOYPY-ZDUSSCGKSA-N 1 1 306.326 0.117 20 5 DCBDMO CCOC[C@@H](O)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000357616098 416107296 /nfs/dbraw/zinc/10/72/96/416107296.db2.gz SJULFLZIMZBVST-LBPRGKRZSA-N 1 1 310.354 0.509 20 5 DCBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@](F)(CO)C1 ZINC000338623400 416117396 /nfs/dbraw/zinc/11/73/96/416117396.db2.gz GEUUKNLMXMHYJM-BXUZGUMPSA-N 1 1 314.313 0.741 20 5 DCBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@](F)(CO)C1 ZINC000338623400 416117402 /nfs/dbraw/zinc/11/74/02/416117402.db2.gz GEUUKNLMXMHYJM-BXUZGUMPSA-N 1 1 314.313 0.741 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000358041191 416175411 /nfs/dbraw/zinc/17/54/11/416175411.db2.gz GCXVXGQZLRNLDX-HNNXBMFYSA-N 1 1 318.333 0.873 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000179215037 416184915 /nfs/dbraw/zinc/18/49/15/416184915.db2.gz CISKMQLAVQGWJN-CYBMUJFWSA-N 1 1 311.338 0.230 20 5 DCBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[NH+](C)CC1 ZINC000330822414 416240000 /nfs/dbraw/zinc/24/00/00/416240000.db2.gz NTIZLUQTUDZCEV-NSHDSACASA-N 1 1 324.385 0.601 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358421061 416235989 /nfs/dbraw/zinc/23/59/89/416235989.db2.gz CQVGFAILECXHNF-CQSZACIVSA-N 1 1 324.337 0.792 20 5 DCBDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000416496116 416372347 /nfs/dbraw/zinc/37/23/47/416372347.db2.gz NVESDHZHPGRSBB-LBPRGKRZSA-N 1 1 313.379 0.966 20 5 DCBDMO CNc1nccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000594236376 416558497 /nfs/dbraw/zinc/55/84/97/416558497.db2.gz NDMKCWYKDNORAR-QWRGUYRKSA-N 1 1 319.365 1.388 20 5 DCBDMO Cc1nc(N2CCN(c3ccc(N)[nH+]c3)CC2)ncc1[N+](=O)[O-] ZINC000295587679 225019941 /nfs/dbraw/zinc/01/99/41/225019941.db2.gz SOIAXMIYWWCAIU-UHFFFAOYSA-N 1 1 315.337 0.997 20 5 DCBDMO C[C@H]1CC[N@@H+](CCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000525804194 417151425 /nfs/dbraw/zinc/15/14/25/417151425.db2.gz LROCQNOPEVTFDA-NSHDSACASA-N 1 1 308.338 0.215 20 5 DCBDMO Cn1c(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)ccc1[N+](=O)[O-] ZINC000452376954 417478083 /nfs/dbraw/zinc/47/80/83/417478083.db2.gz PPSWTTNWDYYUBS-NSHDSACASA-N 1 1 310.354 0.510 20 5 DCBDMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)Nc1ccncc1[N+](=O)[O-] ZINC000455032280 417590620 /nfs/dbraw/zinc/59/06/20/417590620.db2.gz BIJOTVDWCHJCBO-LLVKDONJSA-N 1 1 323.353 0.380 20 5 DCBDMO CC(=O)NCC[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576224949 417593182 /nfs/dbraw/zinc/59/31/82/417593182.db2.gz MCDLFXJREXHAAN-ZDUSSCGKSA-N 1 1 311.338 0.402 20 5 DCBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C(C)(C)CN1CCOCC1 ZINC000412085089 262181622 /nfs/dbraw/zinc/18/16/22/262181622.db2.gz CYAXUYSEGKTNNG-UHFFFAOYSA-N 1 1 311.386 0.834 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCOCC3(CCC3)C2)c1 ZINC000363886165 271207235 /nfs/dbraw/zinc/20/72/35/271207235.db2.gz JQWPSGGFRRFUFX-CYBMUJFWSA-N 1 1 310.354 0.655 20 5 DCBDMO CN1CC[NH2+]C[C@H]1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000449694858 271858758 /nfs/dbraw/zinc/85/87/58/271858758.db2.gz HKSWZICYKDGDTO-JTQLQIEISA-N 1 1 318.337 0.105 20 5 DCBDMO C[N@H+]1CC[C@@](O)(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000492561459 272134990 /nfs/dbraw/zinc/13/49/90/272134990.db2.gz KGSNVYBKOOIFJX-LLYBFZRZSA-N 1 1 305.334 0.791 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000548390644 288138931 /nfs/dbraw/zinc/13/89/31/288138931.db2.gz MOUMZTSMVFHEIL-UHFFFAOYSA-N 1 1 319.325 0.172 20 5 DCBDMO Cc1nn(C)c(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000548718290 288170201 /nfs/dbraw/zinc/17/02/01/288170201.db2.gz QGVMHCOSHLSSHU-UHFFFAOYSA-N 1 1 319.325 0.322 20 5 DCBDMO Cn1cc[nH+]c1N1CCC(NC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000549348802 288196964 /nfs/dbraw/zinc/19/69/64/288196964.db2.gz WABZJVVADMINCB-UHFFFAOYSA-N 1 1 319.325 0.450 20 5 DCBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC(F)(F)C[NH3+] ZINC000190220974 522252394 /nfs/dbraw/zinc/25/23/94/522252394.db2.gz HVQXFEZPTRLHGC-UHFFFAOYSA-N 1 1 302.281 0.985 20 5 DCBDMO O=C(C[N@H+]1CC[C@@H](CO)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000266908115 526798046 /nfs/dbraw/zinc/79/80/46/526798046.db2.gz IFQZOCOZCXIBQE-LLVKDONJSA-N 1 1 305.334 0.798 20 5 DCBDMO O=C(C[N@@H+]1CC[C@@H](CO)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000266908115 526798052 /nfs/dbraw/zinc/79/80/52/526798052.db2.gz IFQZOCOZCXIBQE-LLVKDONJSA-N 1 1 305.334 0.798 20 5 DCBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000156182746 526914300 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Cc1ncccc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776090 659556767 /nfs/dbraw/zinc/55/67/67/659556767.db2.gz XCTOTJZVXWLYMD-QMIVOQANSA-N 1 1 316.361 0.602 20 5 DCBDMO Cc1ncccc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001025776090 659556774 /nfs/dbraw/zinc/55/67/74/659556774.db2.gz XCTOTJZVXWLYMD-QMIVOQANSA-N 1 1 316.361 0.602 20 5 DCBDMO Cc1ncccc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001025776090 659556778 /nfs/dbraw/zinc/55/67/78/659556778.db2.gz XCTOTJZVXWLYMD-QMIVOQANSA-N 1 1 316.361 0.602 20 5 DCBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000893754074 661404656 /nfs/dbraw/zinc/40/46/56/661404656.db2.gz VVKXTFQLLBBMNU-OLZOCXBDSA-N 1 1 322.369 0.669 20 5 DCBDMO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccnc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983650920 661998247 /nfs/dbraw/zinc/99/82/47/661998247.db2.gz YIZCDSLQXJCPCR-AAVRWANBSA-N 1 1 304.350 0.731 20 5 DCBDMO 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CC[N@@H+](C)CCC(=O)NCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001093840309 768741962 /nfs/dbraw/zinc/74/19/62/768741962.db2.gz GPCWLSSFUWPJML-UHFFFAOYSA-N 1 1 311.342 0.565 20 5 DCBDMO Cc1c[nH]cc1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001151025815 769239021 /nfs/dbraw/zinc/23/90/21/769239021.db2.gz TZCSBJDBYRNTQG-UHFFFAOYSA-N 1 1 306.326 0.484 20 5 DCBDMO C[C@@H]1Cc2n[nH]cc2C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001176143845 770031935 /nfs/dbraw/zinc/03/19/35/770031935.db2.gz AXHHRAAELKXCJV-MFKMUULPSA-N 1 1 320.353 0.570 20 5 DCBDMO COc1cnc(N2CC([N@@H+](C)[C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001158731778 771815728 /nfs/dbraw/zinc/81/57/28/771815728.db2.gz YKLZQNBSFNHLOM-JTQLQIEISA-N 1 1 308.338 0.908 20 5 DCBDMO C[NH+]1CCN(CC2CN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C2)CC1 ZINC001159367136 771902245 /nfs/dbraw/zinc/90/22/45/771902245.db2.gz WMTFITHVEIVMHN-UHFFFAOYSA-N 1 1 307.354 0.242 20 5 DCBDMO CC(C)Oc1nc(N2CC([NH2+]C3COC3)C2)ccc1[N+](=O)[O-] ZINC001187724060 772215438 /nfs/dbraw/zinc/21/54/38/772215438.db2.gz BPFNEKIMKHFPON-UHFFFAOYSA-N 1 1 308.338 0.954 20 5 DCBDMO COC(=O)c1ccnc(N2CCC(F)(F)[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001164324530 772646535 /nfs/dbraw/zinc/64/65/35/772646535.db2.gz URNQTJACWAWSKQ-QMMMGPOBSA-N 1 1 316.264 0.949 20 5 DCBDMO NC(=O)[C@@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)CC[NH2+]1 ZINC001166726025 772851723 /nfs/dbraw/zinc/85/17/23/772851723.db2.gz UVZJOMJBNLNDLS-NSHDSACASA-N 1 1 301.306 0.407 20 5 DCBDMO C[N@H+]1CC[C@@](O)(CNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001205237669 772984221 /nfs/dbraw/zinc/98/42/21/772984221.db2.gz MJNBANAFABYNLC-CQSZACIVSA-N 1 1 306.322 0.892 20 5 DCBDMO Cc1ccc(S(=O)(=O)NCC[N@H+](C)CCO)cc1[N+](=O)[O-] ZINC001213684923 773875932 /nfs/dbraw/zinc/87/59/32/773875932.db2.gz MNOYUPFDHHFBRZ-UHFFFAOYSA-N 1 1 317.367 0.106 20 5 DCBDMO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)CCO)cc1[N+](=O)[O-] ZINC001213684923 773875937 /nfs/dbraw/zinc/87/59/37/773875937.db2.gz MNOYUPFDHHFBRZ-UHFFFAOYSA-N 1 1 317.367 0.106 20 5 DCBDMO C[N@@H+]1CCO[C@@H](COc2[nH]c(=O)nc3cc([N+](=O)[O-])ccc32)C1 ZINC001228242286 776059509 /nfs/dbraw/zinc/05/95/09/776059509.db2.gz LZPRYPHZXGFQIQ-SNVBAGLBSA-N 1 1 320.305 0.953 20 5 DCBDMO C[N@H+]1CCO[C@@H](COc2[nH]c(=O)nc3cc([N+](=O)[O-])ccc32)C1 ZINC001228242286 776059513 /nfs/dbraw/zinc/05/95/13/776059513.db2.gz LZPRYPHZXGFQIQ-SNVBAGLBSA-N 1 1 320.305 0.953 20 5 DCBDMO CN(CC[NH2+]Cc1cccc(Cl)n1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001317586093 945087410 /nfs/dbraw/zinc/08/74/10/945087410.db2.gz XUYURBCLDGHNDS-GHMZBOCLSA-N 1 1 312.757 0.948 20 5 DCBDMO C[C@H](O)C[N@@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001460294938 942487977 /nfs/dbraw/zinc/48/79/77/942487977.db2.gz IWVHHARKRMPKTN-JTQLQIEISA-N 1 1 317.367 0.186 20 5 DCBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC001319591277 945626788 /nfs/dbraw/zinc/62/67/88/945626788.db2.gz GDGPBCXROMBNKY-RYUDHWBXSA-N 1 1 320.349 0.500 20 5 DCBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001320009693 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CNS(=O)(=O)CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000598616788 397259264 /nfs/dbraw/zinc/25/92/64/397259264.db2.gz XUKOEFMYPWDPTR-UHFFFAOYSA-N 1 1 301.368 0.618 20 5 DCBDMO CNS(=O)(=O)CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000598616788 397259269 /nfs/dbraw/zinc/25/92/69/397259269.db2.gz XUKOEFMYPWDPTR-UHFFFAOYSA-N 1 1 301.368 0.618 20 5 DCBDMO Nc1c(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000593854837 397456017 /nfs/dbraw/zinc/45/60/17/397456017.db2.gz KVTCPSQDMVHEHL-SNVBAGLBSA-N 1 1 306.322 0.068 20 5 DCBDMO Nc1c(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000593854837 397456021 /nfs/dbraw/zinc/45/60/21/397456021.db2.gz KVTCPSQDMVHEHL-SNVBAGLBSA-N 1 1 306.322 0.068 20 5 DCBDMO CN(C)CC[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000578913059 397501834 /nfs/dbraw/zinc/50/18/34/397501834.db2.gz JUOBTUFQIMOEQO-UHFFFAOYSA-N 1 1 311.386 0.547 20 5 DCBDMO CN(CCCNC(=O)c1cc([N+](=O)[O-])cn1C)CC[NH+](C)C ZINC000578913059 397501838 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ZINC000330588480 159198423 /nfs/dbraw/zinc/19/84/23/159198423.db2.gz UEDCRTRZWWYGCB-SGMGOOAPSA-N 1 1 311.386 0.567 20 5 DCBDMO COC(=O)C[C@@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246453892 287083594 /nfs/dbraw/zinc/08/35/94/287083594.db2.gz FCLGNOYTVILFRD-CMPLNLGQSA-N 1 1 312.326 0.180 20 5 DCBDMO CN1CCC([N@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])cn3)C2)CC1 ZINC000363883498 287220038 /nfs/dbraw/zinc/22/00/38/287220038.db2.gz BUBTXMLRBGPERC-NSHDSACASA-N 1 1 306.370 0.965 20 5 DCBDMO C[NH+]1CCC(N2CC[C@H](Nc3ncc([N+](=O)[O-])cn3)C2)CC1 ZINC000363883498 287220042 /nfs/dbraw/zinc/22/00/42/287220042.db2.gz BUBTXMLRBGPERC-NSHDSACASA-N 1 1 306.370 0.965 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](COC(F)F)C2)c1 ZINC000353021376 415409226 /nfs/dbraw/zinc/40/92/26/415409226.db2.gz JTDVFVVYBUUGCW-KOLCDFICSA-N 1 1 320.296 0.713 20 5 DCBDMO COCC[N@@H+](CC(C)C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075637735 415449816 /nfs/dbraw/zinc/44/98/16/415449816.db2.gz NZQHMFGSMMNSCR-ZDUSSCGKSA-N 1 1 300.359 0.757 20 5 DCBDMO C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000108328401 415678251 /nfs/dbraw/zinc/67/82/51/415678251.db2.gz XOWWAUGTSKODEY-NSHDSACASA-N 1 1 309.370 0.984 20 5 DCBDMO O=C(C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)NC1CC1 ZINC000112656705 415712359 /nfs/dbraw/zinc/71/23/59/415712359.db2.gz NGWMGXYEANOJOR-NSHDSACASA-N 1 1 305.338 0.755 20 5 DCBDMO O=C(C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)NC1CC1 ZINC000112656705 415712367 /nfs/dbraw/zinc/71/23/67/415712367.db2.gz NGWMGXYEANOJOR-NSHDSACASA-N 1 1 305.338 0.755 20 5 DCBDMO CN(C)CC[N@@H+](C)CCCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000290368005 415797871 /nfs/dbraw/zinc/79/78/71/415797871.db2.gz ASLPLCZTUNEIBA-UHFFFAOYSA-N 1 1 323.397 0.790 20 5 DCBDMO CN(CCCNC(=O)c1ccc(N)c([N+](=O)[O-])c1)CC[NH+](C)C ZINC000290368005 415797877 /nfs/dbraw/zinc/79/78/77/415797877.db2.gz ASLPLCZTUNEIBA-UHFFFAOYSA-N 1 1 323.397 0.790 20 5 DCBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000356727042 415977642 /nfs/dbraw/zinc/97/76/42/415977642.db2.gz BXPJPMWQVSZKMX-MNOVXSKESA-N 1 1 307.354 0.885 20 5 DCBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356727107 415977799 /nfs/dbraw/zinc/97/77/99/415977799.db2.gz HPZNKTFKZSPUAU-UHFFFAOYSA-N 1 1 306.326 0.996 20 5 DCBDMO C[NH+](C)C[C@](C)(O)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000153297109 415979197 /nfs/dbraw/zinc/97/91/97/415979197.db2.gz SZDBKMZIRQUSCZ-CQSZACIVSA-N 1 1 321.337 0.514 20 5 DCBDMO C[N@H+]1CCC[C@@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000302123195 416097788 /nfs/dbraw/zinc/09/77/88/416097788.db2.gz HFDMKPMWRNZFSL-SECBINFHSA-N 1 1 314.367 0.748 20 5 DCBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000357925126 416154115 /nfs/dbraw/zinc/15/41/15/416154115.db2.gz MVQZDDMWPFKFHW-GFCCVEGCSA-N 1 1 324.385 0.957 20 5 DCBDMO CC[N@H+]1C[C@H](C)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000345967335 416177074 /nfs/dbraw/zinc/17/70/74/416177074.db2.gz SAVVFXMKRWJVOR-RYUDHWBXSA-N 1 1 322.365 0.698 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000358043830 416177296 /nfs/dbraw/zinc/17/72/96/416177296.db2.gz AWRXVHGETFYJAJ-HNNXBMFYSA-N 1 1 318.333 0.873 20 5 DCBDMO CNC(=O)c1ccc(NC[C@]2(O)CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000358328056 416223024 /nfs/dbraw/zinc/22/30/24/416223024.db2.gz IFOHGDIUQMQCQM-CQSZACIVSA-N 1 1 308.338 0.433 20 5 DCBDMO C[N@H+]1CC[C@@](O)(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000358328780 416223316 /nfs/dbraw/zinc/22/33/16/416223316.db2.gz KJIGXXIGXHAGKM-OAHLLOKOSA-N 1 1 320.349 0.958 20 5 DCBDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331295264 416305468 /nfs/dbraw/zinc/30/54/68/416305468.db2.gz SJNHHSNFBGFALP-MHDGFBEUSA-N 1 1 312.370 0.634 20 5 DCBDMO Cc1nn(CCC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000192471556 416305678 /nfs/dbraw/zinc/30/56/78/416305678.db2.gz FSNOACBKLYVQAB-BETUJISGSA-N 1 1 321.381 0.818 20 5 DCBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C[C@H]2C1 ZINC000192515248 416307536 /nfs/dbraw/zinc/30/75/36/416307536.db2.gz GJWLQFTUOAVNSX-DTORHVGOSA-N 1 1 308.313 0.950 20 5 DCBDMO Cc1cccc(NCCNC(=O)c2cc([N+](=O)[O-])nn2C)[nH+]1 ZINC000360747705 416407313 /nfs/dbraw/zinc/40/73/13/416407313.db2.gz SYYFIXQGDBHKIB-UHFFFAOYSA-N 1 1 304.310 0.874 20 5 DCBDMO COc1cc(C[NH2+]C[C@@H](C)S(C)(=O)=O)c([N+](=O)[O-])cc1O ZINC000533130269 416478507 /nfs/dbraw/zinc/47/85/07/416478507.db2.gz AIIQAGYCZNDLFA-MRVPVSSYSA-N 1 1 318.351 0.832 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000520396785 416961622 /nfs/dbraw/zinc/96/16/22/416961622.db2.gz LYHKYILAXJRTMN-DOMZBBRYSA-N 1 1 323.397 0.759 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000520396785 416961632 /nfs/dbraw/zinc/96/16/32/416961632.db2.gz LYHKYILAXJRTMN-DOMZBBRYSA-N 1 1 323.397 0.759 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000565330695 416966994 /nfs/dbraw/zinc/96/69/94/416966994.db2.gz BHLHXJFYQFLIKU-NWDGAFQWSA-N 1 1 307.354 0.795 20 5 DCBDMO C[N@@H+](CCNS(=O)(=O)c1cccnc1[N+](=O)[O-])C1CC1 ZINC000525641179 417141190 /nfs/dbraw/zinc/14/11/90/417141190.db2.gz YPCGZLRENAMAQJ-UHFFFAOYSA-N 1 1 300.340 0.362 20 5 DCBDMO COC(=O)COc1ccc(CN[C@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000414887391 417313297 /nfs/dbraw/zinc/31/32/97/417313297.db2.gz DLVKNSJRNHXRJG-SNVBAGLBSA-N 1 1 311.338 0.974 20 5 DCBDMO CC(C)[N@H+]1CC[C@H](N(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000452111961 417455488 /nfs/dbraw/zinc/45/54/88/417455488.db2.gz DKNGGVZXLDPMRN-JSGCOSHPSA-N 1 1 311.386 0.567 20 5 DCBDMO CC(C)N1CC[C@H]([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000452111961 417455495 /nfs/dbraw/zinc/45/54/95/417455495.db2.gz DKNGGVZXLDPMRN-JSGCOSHPSA-N 1 1 311.386 0.567 20 5 DCBDMO CC(C)N1CC[C@H]([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000452111961 417455498 /nfs/dbraw/zinc/45/54/98/417455498.db2.gz DKNGGVZXLDPMRN-JSGCOSHPSA-N 1 1 311.386 0.567 20 5 DCBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000572377529 417458276 /nfs/dbraw/zinc/45/82/76/417458276.db2.gz HLMILYKPURDCOG-SNVBAGLBSA-N 1 1 307.354 1.034 20 5 DCBDMO Nc1nccc(C(=O)NCC[NH+]2CCSCC2)c1[N+](=O)[O-] ZINC000573576633 417474121 /nfs/dbraw/zinc/47/41/21/417474121.db2.gz KMYAXBMDMNOCBP-UHFFFAOYSA-N 1 1 311.367 0.351 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000355333829 261332149 /nfs/dbraw/zinc/33/21/49/261332149.db2.gz IASCGQIGRFXLOW-UHFFFAOYSA-N 1 1 307.354 0.868 20 5 DCBDMO CCOCC[N@H+]1CCN(Cc2c([N+](=O)[O-])ncn2C)C[C@H]1C ZINC000355941074 261377810 /nfs/dbraw/zinc/37/78/10/261377810.db2.gz YTQHDJHLXZWKJC-GFCCVEGCSA-N 1 1 311.386 0.871 20 5 DCBDMO CCc1n[nH]c(C(=O)NCCC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000362346316 262023717 /nfs/dbraw/zinc/02/37/17/262023717.db2.gz LHQWHWCKMMQCAZ-UHFFFAOYSA-N 1 1 324.385 0.248 20 5 DCBDMO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000362582602 262049296 /nfs/dbraw/zinc/04/92/96/262049296.db2.gz ABGNGENSGUOEKU-LLVKDONJSA-N 1 1 324.381 0.992 20 5 DCBDMO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000362582602 262049298 /nfs/dbraw/zinc/04/92/98/262049298.db2.gz ABGNGENSGUOEKU-LLVKDONJSA-N 1 1 324.381 0.992 20 5 DCBDMO CN(C)C(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000411934966 271231829 /nfs/dbraw/zinc/23/18/29/271231829.db2.gz DAHBQBVQNOWVIL-LLVKDONJSA-N 1 1 320.349 0.943 20 5 DCBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000411934966 271231835 /nfs/dbraw/zinc/23/18/35/271231835.db2.gz DAHBQBVQNOWVIL-LLVKDONJSA-N 1 1 320.349 0.943 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000492557675 272134909 /nfs/dbraw/zinc/13/49/09/272134909.db2.gz DBGKVTULNMSUIN-SZTZYQKNSA-N 1 1 305.334 0.791 20 5 DCBDMO CCOCC[NH+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000342223181 273699372 /nfs/dbraw/zinc/69/93/72/273699372.db2.gz LGOIHYOWZFNHLT-UHFFFAOYSA-N 1 1 322.365 0.852 20 5 DCBDMO C[C@@H](O)C[NH+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000343002643 274271469 /nfs/dbraw/zinc/27/14/69/274271469.db2.gz UYAOOFOGEIWYTA-SNVBAGLBSA-N 1 1 308.338 0.197 20 5 DCBDMO O=[N+]([O-])c1c(N2CCC[N@H+](CCO)CC2)nc2sccn21 ZINC000071349554 275032690 /nfs/dbraw/zinc/03/26/90/275032690.db2.gz OOAQCRMFESFSIU-UHFFFAOYSA-N 1 1 311.367 0.808 20 5 DCBDMO CC(C)[C@H]([NH3+])CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000336843912 275703937 /nfs/dbraw/zinc/70/39/37/275703937.db2.gz YAJAWGPPWOZDBN-SECBINFHSA-N 1 1 305.331 0.996 20 5 DCBDMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000424179642 280058052 /nfs/dbraw/zinc/05/80/52/280058052.db2.gz ZFDNRMVARCAWCJ-RNCFNFMXSA-N 1 1 306.322 0.251 20 5 DCBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000266448745 520250885 /nfs/dbraw/zinc/25/08/85/520250885.db2.gz WZBABBTWWXLTOV-GFCCVEGCSA-N 1 1 322.365 0.557 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCn1cc[nH+]c1C ZINC000299473041 534774219 /nfs/dbraw/zinc/77/42/19/534774219.db2.gz BJQURYKHZAGCFG-UHFFFAOYSA-N 1 1 306.326 0.811 20 5 DCBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000161410014 524895880 /nfs/dbraw/zinc/89/58/80/524895880.db2.gz MALFJCVRCFPHRP-YPMHNXCESA-N 1 1 324.385 0.773 20 5 DCBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000247442156 524900023 /nfs/dbraw/zinc/90/00/23/524900023.db2.gz MALFJCVRCFPHRP-DGCLKSJQSA-N 1 1 324.385 0.773 20 5 DCBDMO Cc1c(CC(=O)N2CC[NH+](C[C@H](C)O)CC2)cccc1[N+](=O)[O-] ZINC000189680651 525689076 /nfs/dbraw/zinc/68/90/76/525689076.db2.gz YGTFAKMQBHSLAE-LBPRGKRZSA-N 1 1 321.377 0.971 20 5 DCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](CCn2cccn2)CC1 ZINC000981137638 661085052 /nfs/dbraw/zinc/08/50/52/661085052.db2.gz BHZYRPOREHOKMC-CHWSQXEVSA-N 1 1 307.354 0.083 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@H+](CCn2cccn2)CC1 ZINC000981137638 661085054 /nfs/dbraw/zinc/08/50/54/661085054.db2.gz BHZYRPOREHOKMC-CHWSQXEVSA-N 1 1 307.354 0.083 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@@H+](CCn2cccn2)CC1 ZINC000981137638 661085057 /nfs/dbraw/zinc/08/50/57/661085057.db2.gz BHZYRPOREHOKMC-CHWSQXEVSA-N 1 1 307.354 0.083 20 5 DCBDMO O=[N+]([O-])CC[NH+]1CCC(c2nccc(N3CCOCC3)n2)CC1 ZINC000931090531 659397637 /nfs/dbraw/zinc/39/76/37/659397637.db2.gz LBJNBEULMNNQDT-UHFFFAOYSA-N 1 1 321.381 0.769 20 5 DCBDMO Cc1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])sn1 ZINC001025778543 659555245 /nfs/dbraw/zinc/55/52/45/659555245.db2.gz UJKQTLYQBGFHTQ-LBELIVKGSA-N 1 1 322.390 0.663 20 5 DCBDMO COCC[NH+]1CCC(C2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001000151296 665757979 /nfs/dbraw/zinc/75/79/79/665757979.db2.gz SPQFXYXTYVWSMZ-CHWSQXEVSA-N 1 1 311.382 0.659 20 5 DCBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1C ZINC000924975292 661822687 /nfs/dbraw/zinc/82/26/87/661822687.db2.gz DGBGHDVZAVDHGI-NXEZZACHSA-N 1 1 311.313 0.837 20 5 DCBDMO Cn1nccc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000983648459 661997032 /nfs/dbraw/zinc/99/70/32/661997032.db2.gz IZKTUYZFCFGAOJ-FPQZTECRSA-N 1 1 307.354 0.070 20 5 DCBDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000900859328 663288561 /nfs/dbraw/zinc/28/85/61/663288561.db2.gz YYKQURYXHYCRMB-IUODEOHRSA-N 1 1 307.350 0.709 20 5 DCBDMO C[N@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H]1C(C)(C)C ZINC000912030945 664133109 /nfs/dbraw/zinc/13/31/09/664133109.db2.gz JMAAOHGARQBUME-JTQLQIEISA-N 1 1 310.358 0.375 20 5 DCBDMO C[N@@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@H](CO)C1 ZINC000912746196 664220096 /nfs/dbraw/zinc/22/00/96/664220096.db2.gz CVBODIUGVJNRLB-NSHDSACASA-N 1 1 308.338 0.142 20 5 DCBDMO C[N@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@H](CO)C1 ZINC000912746196 664220097 /nfs/dbraw/zinc/22/00/97/664220097.db2.gz CVBODIUGVJNRLB-NSHDSACASA-N 1 1 308.338 0.142 20 5 DCBDMO Cc1ncsc1CC[NH+]1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001031662509 665273427 /nfs/dbraw/zinc/27/34/27/665273427.db2.gz FLDZGLBENITIDG-VXGBXAGGSA-N 1 1 324.406 0.707 20 5 DCBDMO C[NH+]1CCN(C(=O)CNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000736285949 667137621 /nfs/dbraw/zinc/13/76/21/667137621.db2.gz CEYANMMDWQGENG-UHFFFAOYSA-N 1 1 313.745 0.829 20 5 DCBDMO C[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000134982785 667561067 /nfs/dbraw/zinc/56/10/67/667561067.db2.gz USNGGAWJHKBLRJ-NOZJJQNGSA-N 1 1 308.338 0.626 20 5 DCBDMO C[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000134982785 667561070 /nfs/dbraw/zinc/56/10/70/667561070.db2.gz USNGGAWJHKBLRJ-NOZJJQNGSA-N 1 1 308.338 0.626 20 5 DCBDMO C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)NCc1ccco1 ZINC000747958993 667915629 /nfs/dbraw/zinc/91/56/29/667915629.db2.gz IJAJNGYOISRVSX-UHFFFAOYSA-N 1 1 307.310 0.633 20 5 DCBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)NCc1ccco1 ZINC000747958993 667915630 /nfs/dbraw/zinc/91/56/30/667915630.db2.gz IJAJNGYOISRVSX-UHFFFAOYSA-N 1 1 307.310 0.633 20 5 DCBDMO C[N@H+]1C[C@H](O)C[C@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000924977302 668257933 /nfs/dbraw/zinc/25/79/33/668257933.db2.gz QBRUQAWQCHMSCU-WDEREUQCSA-N 1 1 311.313 0.458 20 5 DCBDMO C[N@@H+]1CCCC[C@H]1C(=O)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000761401737 668326285 /nfs/dbraw/zinc/32/62/85/668326285.db2.gz FNEDLOUHCHWYCZ-LBPRGKRZSA-N 1 1 309.322 0.784 20 5 DCBDMO C[N@H+]1CCCC[C@H]1C(=O)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000761401737 668326287 /nfs/dbraw/zinc/32/62/87/668326287.db2.gz FNEDLOUHCHWYCZ-LBPRGKRZSA-N 1 1 309.322 0.784 20 5 DCBDMO COCC[NH+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776279165 668874555 /nfs/dbraw/zinc/87/45/55/668874555.db2.gz VXHIDHJSBNFZED-OAHLLOKOSA-N 1 1 309.366 0.892 20 5 DCBDMO O=[N+]([O-])CCN1CC[N@H+](CC[N+](=O)[O-])CC12CCCCC2 ZINC000929999456 668940280 /nfs/dbraw/zinc/94/02/80/668940280.db2.gz KWJPGBPHQFIICX-UHFFFAOYSA-N 1 1 300.359 0.860 20 5 DCBDMO O=[N+]([O-])CCN1CC[N@@H+](CC[N+](=O)[O-])CC12CCCCC2 ZINC000929999456 668940285 /nfs/dbraw/zinc/94/02/85/668940285.db2.gz KWJPGBPHQFIICX-UHFFFAOYSA-N 1 1 300.359 0.860 20 5 DCBDMO C[N@H+]1CC[C@H]2CN(CCn3cc([N+](=O)[O-])ccc3=O)CC[C@@H]21 ZINC000879577161 669067709 /nfs/dbraw/zinc/06/77/09/669067709.db2.gz HCDMRODRQNVWNZ-JSGCOSHPSA-N 1 1 306.366 0.783 20 5 DCBDMO C[C@@H](CN1CCN(C)CC1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819032225 671087047 /nfs/dbraw/zinc/08/70/47/671087047.db2.gz DIQWIZKSGULZJT-BBRMVZONSA-N 1 1 322.409 0.854 20 5 DCBDMO C[C@H]1CN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000823956257 671414430 /nfs/dbraw/zinc/41/44/30/671414430.db2.gz QJVUNMJSCMHUBC-JTQLQIEISA-N 1 1 323.353 0.707 20 5 DCBDMO C[C@H]1CN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000823956257 671414432 /nfs/dbraw/zinc/41/44/32/671414432.db2.gz QJVUNMJSCMHUBC-JTQLQIEISA-N 1 1 323.353 0.707 20 5 DCBDMO Cc1nn(C)c(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000827340089 671523736 /nfs/dbraw/zinc/52/37/36/671523736.db2.gz XMGVKGMWFYTQLO-QWRGUYRKSA-N 1 1 307.354 0.803 20 5 DCBDMO [NH3+]CC(F)(F)CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000834539738 671770079 /nfs/dbraw/zinc/77/00/79/671770079.db2.gz OQWHVLUPVCVDGG-UHFFFAOYSA-N 1 1 313.264 0.655 20 5 DCBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000841455314 671933120 /nfs/dbraw/zinc/93/31/20/671933120.db2.gz SKMYTLJNSTUOQL-QWRGUYRKSA-N 1 1 322.365 0.704 20 5 DCBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000841455314 671933127 /nfs/dbraw/zinc/93/31/27/671933127.db2.gz SKMYTLJNSTUOQL-QWRGUYRKSA-N 1 1 322.365 0.704 20 5 DCBDMO Cc1ncccc1C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001569400036 1161046856 /nfs/dbraw/zinc/04/68/56/1161046856.db2.gz FMFPYJANOYXSNI-CHWSQXEVSA-N 1 1 304.350 0.794 20 5 DCBDMO C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC2(CC[NH2+]CC2)O1 ZINC001576807233 1164470330 /nfs/dbraw/zinc/47/03/30/1164470330.db2.gz OJUAPCQOBIZDKN-LBPRGKRZSA-N 1 1 309.370 0.634 20 5 DCBDMO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCN1c1cnccn1 ZINC001620684474 1165826457 /nfs/dbraw/zinc/82/64/57/1165826457.db2.gz KWEHWOAYDPDWGH-GFCCVEGCSA-N 1 1 317.353 0.792 20 5 DCBDMO C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCN1c1cnccn1 ZINC001620684474 1165826465 /nfs/dbraw/zinc/82/64/65/1165826465.db2.gz KWEHWOAYDPDWGH-GFCCVEGCSA-N 1 1 317.353 0.792 20 5 DCBDMO C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590167039 1166794876 /nfs/dbraw/zinc/79/48/76/1166794876.db2.gz BLPYDFMHFZLRCW-BXKDBHETSA-N 1 1 318.337 0.978 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC001591181315 1167133834 /nfs/dbraw/zinc/13/38/34/1167133834.db2.gz YJZGPAGZVAYUOK-ZDUSSCGKSA-N 1 1 319.325 0.253 20 5 DCBDMO C[N@@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001591196794 1167147170 /nfs/dbraw/zinc/14/71/70/1167147170.db2.gz ZLHRXZNSNKIGEW-AOOOYVTPSA-N 1 1 315.337 0.773 20 5 DCBDMO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC001593480544 1167869321 /nfs/dbraw/zinc/86/93/21/1167869321.db2.gz BNGOCMDEKJEDDN-LKFCYVNXSA-N 1 1 316.321 0.589 20 5 DCBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001598274581 1168018417 /nfs/dbraw/zinc/01/84/17/1168018417.db2.gz KKTURDMDQIDQHN-UHFFFAOYSA-N 1 1 309.297 0.855 20 5 DCBDMO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C[C@H]1C[C@@H](O)C1 ZINC001604807818 1169692043 /nfs/dbraw/zinc/69/20/43/1169692043.db2.gz VNGMWVSXQAOCON-WVSHTKLVSA-N 1 1 318.337 0.978 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(c3cc(-c4nn[nH]n4)ccc3[N+](=O)[O-])C[C@@H]21 ZINC001604867428 1169718885 /nfs/dbraw/zinc/71/88/85/1169718885.db2.gz HQHYDPCCKIFGRC-MFKMUULPSA-N 1 1 315.337 0.915 20 5 DCBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNc1nn(C)cc1[N+](=O)[O-] ZINC001611904979 1171358286 /nfs/dbraw/zinc/35/82/86/1171358286.db2.gz BHTYROHMRRHWMN-LLVKDONJSA-N 1 1 324.385 0.683 20 5 DCBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1nn(C)cc1[N+](=O)[O-] ZINC001611904984 1171358154 /nfs/dbraw/zinc/35/81/54/1171358154.db2.gz BHTYROHMRRHWMN-NSHDSACASA-N 1 1 324.385 0.683 20 5 DCBDMO C[C@H]1[C@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC[N@H+]1C ZINC001612939396 1171366393 /nfs/dbraw/zinc/36/63/93/1171366393.db2.gz CHMAUODMQVSLQV-WCBMZHEXSA-N 1 1 314.367 0.747 20 5 DCBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@]12CC[N@@H+](C1)CCC2 ZINC001631561303 1171595703 /nfs/dbraw/zinc/59/57/03/1171595703.db2.gz JAIIRFXEGZOMET-CQSZACIVSA-N 1 1 305.338 0.788 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC001642432044 1171945472 /nfs/dbraw/zinc/94/54/72/1171945472.db2.gz GBOUBXIXWARDBT-JTQLQIEISA-N 1 1 310.354 0.508 20 5 DCBDMO O=c1[nH]ccc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1[N+](=O)[O-] ZINC001651495590 1173749149 /nfs/dbraw/zinc/74/91/49/1173749149.db2.gz XATGLNMDMTUIRQ-GHMZBOCLSA-N 1 1 308.338 0.731 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](CCO)CC2)c1 ZINC001654767414 1173810835 /nfs/dbraw/zinc/81/08/35/1173810835.db2.gz QVUBTSNPAWJDLC-OCCSQVGLSA-N 1 1 312.370 0.637 20 5 DCBDMO COc1c(O)ccc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC001659472624 1173932829 /nfs/dbraw/zinc/93/28/29/1173932829.db2.gz YOONVZUZZYBZQG-GHMZBOCLSA-N 1 1 312.322 0.484 20 5 DCBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC001659472624 1173932835 /nfs/dbraw/zinc/93/28/35/1173932835.db2.gz YOONVZUZZYBZQG-GHMZBOCLSA-N 1 1 312.322 0.484 20 5 DCBDMO C[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC001675041267 1175320264 /nfs/dbraw/zinc/32/02/64/1175320264.db2.gz QCAYMJNFYAMYHT-UHFFFAOYSA-N 1 1 307.310 0.473 20 5 DCBDMO O=C(NC/C=C/C[NH2+]CCc1ccns1)[C@@H]1CC1[N+](=O)[O-] ZINC001715817087 1182023703 /nfs/dbraw/zinc/02/37/03/1182023703.db2.gz PXNMVLIIIXGHFL-NUYITTKVSA-N 1 1 310.379 0.613 20 5 DCBDMO CC(C)COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001752843874 1188450192 /nfs/dbraw/zinc/45/01/92/1188450192.db2.gz KAGFHLLGQFTZCP-RGDJUOJXSA-N 1 1 311.382 0.371 20 5 DCBDMO CC(C)COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001752843874 1188450196 /nfs/dbraw/zinc/45/01/96/1188450196.db2.gz KAGFHLLGQFTZCP-RGDJUOJXSA-N 1 1 311.382 0.371 20 5 DCBDMO CC(C)COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001752843874 1188450199 /nfs/dbraw/zinc/45/01/99/1188450199.db2.gz KAGFHLLGQFTZCP-RGDJUOJXSA-N 1 1 311.382 0.371 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])cc1-n1cnc(C[NH3+])cc1=N ZINC001167357969 747129950 /nfs/dbraw/zinc/12/99/50/747129950.db2.gz HDVKPSVFIFSJPA-UHFFFAOYSA-N 1 1 303.278 0.505 20 5 DCBDMO O=C(NCC[NH2+]CCOc1ccccc1F)[C@@H]1CC1[N+](=O)[O-] ZINC001126938489 750151533 /nfs/dbraw/zinc/15/15/33/750151533.db2.gz BIEKNRLEWQEGFG-ZYHUDNBSSA-N 1 1 311.313 0.576 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)Cc1cccs1 ZINC001122661783 767852262 /nfs/dbraw/zinc/85/22/62/767852262.db2.gz QTFSGNMYKHLZRK-UHFFFAOYSA-N 1 1 323.378 0.838 20 5 DCBDMO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)cn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363380 760101393 /nfs/dbraw/zinc/10/13/93/760101393.db2.gz QQIHLIUECOUBIP-ICGCDAGXSA-N 1 1 322.340 0.870 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1CNCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129526304 762951757 /nfs/dbraw/zinc/95/17/57/762951757.db2.gz ABOVHKAAKRKRIT-UHFFFAOYSA-N 1 1 324.385 0.018 20 5 DCBDMO CC(C)[N@@H+](C)CC(=O)NCCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001100149784 763354085 /nfs/dbraw/zinc/35/40/85/763354085.db2.gz QAGRCGBTRFTRIU-UHFFFAOYSA-N 1 1 309.370 0.882 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CCc1ccon1 ZINC001131345048 763761624 /nfs/dbraw/zinc/76/16/24/763761624.db2.gz XOANYZWCIXDYFS-UHFFFAOYSA-N 1 1 322.325 0.155 20 5 DCBDMO CCn1cccc1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001151190843 769285343 /nfs/dbraw/zinc/28/53/43/769285343.db2.gz SITOIQKIUUMUMG-UHFFFAOYSA-N 1 1 320.353 0.669 20 5 DCBDMO O=[N+]([O-])c1ccc(C[NH+]2[C@H](CO)CC[C@H]2CO)c([N+](=O)[O-])c1 ZINC001171592459 769317725 /nfs/dbraw/zinc/31/77/25/769317725.db2.gz ZHQSZNVFKZVADF-RYUDHWBXSA-N 1 1 311.294 0.821 20 5 DCBDMO CC[N@H+]1CC[C@H](Oc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC001233623968 769413251 /nfs/dbraw/zinc/41/32/51/769413251.db2.gz MLKIORJAODENNA-JTQLQIEISA-N 1 1 315.351 0.715 20 5 DCBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC[C@H](O)C[NH3+])c1F ZINC001173177966 769555454 /nfs/dbraw/zinc/55/54/54/769555454.db2.gz YXGVMOXDDXGLTH-DTWKUNHWSA-N 1 1 301.318 0.583 20 5 DCBDMO CNS(=O)(=O)CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001180969771 771210513 /nfs/dbraw/zinc/21/05/13/771210513.db2.gz KXOSHVAUUBATQA-UHFFFAOYSA-N 1 1 307.759 0.887 20 5 DCBDMO C[N@@H+](C1CN(c2nc(Cl)ncc2[N+](=O)[O-])C1)[C@H]1CCOC1 ZINC001158726570 771814602 /nfs/dbraw/zinc/81/46/02/771814602.db2.gz SCLVQVWZMRLFMI-QMMMGPOBSA-N 1 1 313.745 0.948 20 5 DCBDMO Cc1nc(Cl)c([N+](=O)[O-])c(NCCN2CC[NH2+]CC2=O)n1 ZINC001161019626 772150826 /nfs/dbraw/zinc/15/08/26/772150826.db2.gz PKLAKGZFFRGOAK-UHFFFAOYSA-N 1 1 314.733 0.190 20 5 DCBDMO O=C1C[NH2+]CCN1CCNc1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001161025269 772152063 /nfs/dbraw/zinc/15/20/63/772152063.db2.gz ZKLWEJFJMHJOPK-UHFFFAOYSA-N 1 1 304.310 0.315 20 5 DCBDMO Cc1nc(N2CC([C@H]([NH3+])C(=O)OC(C)(C)C)C2)ncc1[N+](=O)[O-] ZINC001163123382 772468142 /nfs/dbraw/zinc/46/81/42/772468142.db2.gz FJVFTUSJGLQIMD-NSHDSACASA-N 1 1 323.353 0.798 20 5 DCBDMO NC(=O)[C@H]1CN(c2ccc3c(cccc3[N+](=O)[O-])n2)CC[NH2+]1 ZINC001166724786 772851206 /nfs/dbraw/zinc/85/12/06/772851206.db2.gz FSTRLIQFBIXAGV-LLVKDONJSA-N 1 1 301.306 0.407 20 5 DCBDMO NC(=O)c1ccc(C[NH+]2CCC(CO)(CO)CC2)c([N+](=O)[O-])c1 ZINC001197599875 773775479 /nfs/dbraw/zinc/77/54/79/773775479.db2.gz AFHUIKCONWUTAO-UHFFFAOYSA-N 1 1 323.349 0.261 20 5 DCBDMO NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001198326680 773900464 /nfs/dbraw/zinc/90/04/64/773900464.db2.gz JALURYRTWNYBNJ-SECBINFHSA-N 1 1 317.342 0.844 20 5 DCBDMO NS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001198326680 773900468 /nfs/dbraw/zinc/90/04/68/773900468.db2.gz JALURYRTWNYBNJ-SECBINFHSA-N 1 1 317.342 0.844 20 5 DCBDMO Cn1cc([C@@H]2CCC[N@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)nn1 ZINC001198612224 773950996 /nfs/dbraw/zinc/95/09/96/773950996.db2.gz LPOKYUXLUSQEQB-SNVBAGLBSA-N 1 1 305.342 0.836 20 5 DCBDMO Cn1cc([C@@H]2CCC[N@@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)nn1 ZINC001198612224 773950999 /nfs/dbraw/zinc/95/09/99/773950999.db2.gz LPOKYUXLUSQEQB-SNVBAGLBSA-N 1 1 305.342 0.836 20 5 DCBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001216474340 774118080 /nfs/dbraw/zinc/11/80/80/774118080.db2.gz LIJANMNJFPFZSG-LLVKDONJSA-N 1 1 322.369 0.087 20 5 DCBDMO O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCC[NH+]1CCOCC1)C2 ZINC001224866519 775615006 /nfs/dbraw/zinc/61/50/06/775615006.db2.gz GJOQNSFJBLXITD-NSHDSACASA-N 1 1 312.326 0.291 20 5 DCBDMO Cc1nn[nH]c1C(=O)NCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001266306555 939062346 /nfs/dbraw/zinc/06/23/46/939062346.db2.gz WLMXAGUNHWRXDT-UHFFFAOYSA-N 1 1 318.337 0.883 20 5 DCBDMO CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cn(C)nc1C ZINC001266560127 939164158 /nfs/dbraw/zinc/16/41/58/939164158.db2.gz AUGVGRNCGDBWCI-ZIAGYGMSSA-N 1 1 323.397 0.722 20 5 DCBDMO CCC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cn(C)nc1C ZINC001266560127 939164163 /nfs/dbraw/zinc/16/41/63/939164163.db2.gz AUGVGRNCGDBWCI-ZIAGYGMSSA-N 1 1 323.397 0.722 20 5 DCBDMO CCC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cn(C)nc1C ZINC001266560127 939164165 /nfs/dbraw/zinc/16/41/65/939164165.db2.gz AUGVGRNCGDBWCI-ZIAGYGMSSA-N 1 1 323.397 0.722 20 5 DCBDMO CN(CC[NH2+]CCOc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266696390 939212924 /nfs/dbraw/zinc/21/29/24/939212924.db2.gz HICLXLYFXGRZNK-ZIAGYGMSSA-N 1 1 307.350 0.779 20 5 DCBDMO CN(CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1nc[nH]n1 ZINC001268251370 940005707 /nfs/dbraw/zinc/00/57/07/940005707.db2.gz AKNKLOZKHZZGKR-UHFFFAOYSA-N 1 1 318.337 0.917 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(CNC(=O)c2ccn[nH]2)CC1 ZINC001269379052 940695060 /nfs/dbraw/zinc/69/50/60/940695060.db2.gz BLCBOMPCIPNAPJ-UHFFFAOYSA-N 1 1 319.325 0.104 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(CNC(=O)c2cnco2)CC1 ZINC001323507837 947108267 /nfs/dbraw/zinc/10/82/67/947108267.db2.gz DMVPYOURRDJHSX-UHFFFAOYSA-N 1 1 320.309 0.369 20 5 DCBDMO C[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)N1CCN(C)CC1 ZINC001335368683 952526633 /nfs/dbraw/zinc/52/66/33/952526633.db2.gz RRZULZFRBWZXNU-CJNGLKHVSA-N 1 1 322.409 0.854 20 5 DCBDMO C[NH+](C)[C@@H]1C[C@@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC001335485167 952543985 /nfs/dbraw/zinc/54/39/85/952543985.db2.gz KVYIAANPIXSRJU-BFHYXJOUSA-N 1 1 323.397 0.615 20 5 DCBDMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001347386525 954083453 /nfs/dbraw/zinc/08/34/53/954083453.db2.gz YQRPSXRCRRARKF-DOMZBBRYSA-N 1 1 318.377 0.642 20 5 DCBDMO CC(=O)N1C[C@@H]2C[N@@H+](Cn3nc(C)c([N+](=O)[O-])c3C)C[C@@H]2C1 ZINC001349939605 954939767 /nfs/dbraw/zinc/93/97/67/954939767.db2.gz VQYNPTOFZKVQAG-BETUJISGSA-N 1 1 307.354 0.776 20 5 DCBDMO CC(=O)N1C[C@@H]2C[N@H+](Cn3nc(C)c([N+](=O)[O-])c3C)C[C@@H]2C1 ZINC001349939605 954939778 /nfs/dbraw/zinc/93/97/78/954939778.db2.gz VQYNPTOFZKVQAG-BETUJISGSA-N 1 1 307.354 0.776 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)c1 ZINC001307944596 960164398 /nfs/dbraw/zinc/16/43/98/960164398.db2.gz GLWIFZWQFLABGX-SWLSCSKDSA-N 1 1 324.333 0.699 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](O)C[C@]2(C)CO)c1 ZINC001307944596 960164406 /nfs/dbraw/zinc/16/44/06/960164406.db2.gz GLWIFZWQFLABGX-SWLSCSKDSA-N 1 1 324.333 0.699 20 5 DCBDMO CC(C)[C@H]1CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC001471240058 1016547121 /nfs/dbraw/zinc/54/71/21/1016547121.db2.gz FFVDUMAOKOKKFG-GFCCVEGCSA-N 1 1 307.354 0.984 20 5 DCBDMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001520037868 1017242131 /nfs/dbraw/zinc/24/21/31/1017242131.db2.gz UTMHGMOEMWZJGW-DOMZBBRYSA-N 1 1 318.377 0.642 20 5 DCBDMO CCc1[nH]nc(C(=O)N2CC([NH2+]C3CCOCC3)C2)c1[N+](=O)[O-] ZINC001455808221 1009981559 /nfs/dbraw/zinc/98/15/59/1009981559.db2.gz SBBIBOOQQQBOJO-UHFFFAOYSA-N 1 1 323.353 0.473 20 5 DCBDMO O=[N+]([O-])c1c(NC[C@]2(CO)COCC[NH2+]2)ccc2ncccc21 ZINC001458569230 1012219883 /nfs/dbraw/zinc/21/98/83/1012219883.db2.gz FISVRMYHHXADFB-HNNXBMFYSA-N 1 1 318.333 0.906 20 5 DCBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC001562587888 1012491666 /nfs/dbraw/zinc/49/16/66/1012491666.db2.gz VAUCYBRYUDOYNN-LLVKDONJSA-N 1 1 323.353 0.250 20 5 DCBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC001562587888 1012491677 /nfs/dbraw/zinc/49/16/77/1012491677.db2.gz VAUCYBRYUDOYNN-LLVKDONJSA-N 1 1 323.353 0.250 20 5 DCBDMO Nc1ncc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC001543013670 1012497962 /nfs/dbraw/zinc/49/79/62/1012497962.db2.gz SIQZKAWSUJNHRF-QWRGUYRKSA-N 1 1 305.338 0.929 20 5 DCBDMO CNC(=O)C[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001460806513 1012972380 /nfs/dbraw/zinc/97/23/80/1012972380.db2.gz ICAHVCCVZPSQDY-UHFFFAOYSA-N 1 1 324.356 0.988 20 5 DCBDMO CNC(=O)C[N@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001460806513 1012972398 /nfs/dbraw/zinc/97/23/98/1012972398.db2.gz ICAHVCCVZPSQDY-UHFFFAOYSA-N 1 1 324.356 0.988 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](c3ncccn3)C2)c1 ZINC001460853402 1012983420 /nfs/dbraw/zinc/98/34/20/1012983420.db2.gz BXIFZVKUQZQIIY-DGCLKSJQSA-N 1 1 318.337 0.432 20 5 DCBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)n1 ZINC000331926468 234285967 /nfs/dbraw/zinc/28/59/67/234285967.db2.gz DFOVEIUESSCHIA-ZYHUDNBSSA-N 1 1 323.353 0.356 20 5 DCBDMO Cc1nn(C)c(N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1[N+](=O)[O-] ZINC000568739133 291443202 /nfs/dbraw/zinc/44/32/02/291443202.db2.gz NYRCBTVUOWRUJY-NSHDSACASA-N 1 1 322.369 0.037 20 5 DCBDMO COCC[N@H+]1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000266105521 205101279 /nfs/dbraw/zinc/10/12/79/205101279.db2.gz LPWNWHAJHZTGDP-CYBMUJFWSA-N 1 1 307.350 0.974 20 5 DCBDMO C[N@@H+](CCCNC(=O)Cn1cnc([N+](=O)[O-])n1)C1CCCCC1 ZINC000058074086 184073211 /nfs/dbraw/zinc/07/32/11/184073211.db2.gz OZUOUGMDJKENNZ-UHFFFAOYSA-N 1 1 324.385 0.957 20 5 DCBDMO O=C1NC(=O)[C@]2(CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)N1 ZINC000192682312 296359038 /nfs/dbraw/zinc/35/90/38/296359038.db2.gz RBXWWTVCHGHUJU-CQSZACIVSA-N 1 1 304.306 0.769 20 5 DCBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000346179326 254019525 /nfs/dbraw/zinc/01/95/25/254019525.db2.gz BBOIXLXUNKYSGU-OBJOEFQTSA-N 1 1 321.381 0.980 20 5 DCBDMO C[N@H+]1CC[C@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000347025248 254122578 /nfs/dbraw/zinc/12/25/78/254122578.db2.gz OUTHVXQOLJSVOK-LBPRGKRZSA-N 1 1 313.379 0.761 20 5 DCBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000347380380 254152575 /nfs/dbraw/zinc/15/25/75/254152575.db2.gz QSIMWPDQPAKGTH-GFCCVEGCSA-N 1 1 322.369 0.377 20 5 DCBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000347102355 254129750 /nfs/dbraw/zinc/12/97/50/254129750.db2.gz QQMAKJWSGKTZNE-VIFPVBQESA-N 1 1 306.326 0.899 20 5 DCBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000347248077 254142090 /nfs/dbraw/zinc/14/20/90/254142090.db2.gz XHYUAFXLMSSIAV-JTQLQIEISA-N 1 1 323.353 0.101 20 5 DCBDMO COC(=O)CNC(=O)[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285246606 131151208 /nfs/dbraw/zinc/15/12/08/131151208.db2.gz GYHWEGIEPPOVJU-NSHDSACASA-N 1 1 323.349 0.747 20 5 DCBDMO COC(=O)CNC(=O)[C@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285246606 131151210 /nfs/dbraw/zinc/15/12/10/131151210.db2.gz GYHWEGIEPPOVJU-NSHDSACASA-N 1 1 323.349 0.747 20 5 DCBDMO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000193597435 395773920 /nfs/dbraw/zinc/77/39/20/395773920.db2.gz XCXQKZISLCOEHM-UFBFGSQYSA-N 1 1 306.322 0.308 20 5 DCBDMO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000193626577 395774866 /nfs/dbraw/zinc/77/48/66/395774866.db2.gz VKNNQBVMPYQJDX-RNCFNFMXSA-N 1 1 306.322 0.648 20 5 DCBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000247314322 395971530 /nfs/dbraw/zinc/97/15/30/395971530.db2.gz HQSWWDKWCNGQOH-WCQYABFASA-N 1 1 322.365 0.555 20 5 DCBDMO C[N@H+]1CCC[C@H]2CN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC[C@H]21 ZINC000247967052 395980454 /nfs/dbraw/zinc/98/04/54/395980454.db2.gz GYWZUBYUBZCJPE-NWDGAFQWSA-N 1 1 307.354 0.734 20 5 DCBDMO C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000157437084 396063649 /nfs/dbraw/zinc/06/36/49/396063649.db2.gz CNLQXQNBSCSHNE-SMDDNHRTSA-N 1 1 307.350 0.973 20 5 DCBDMO C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000157437084 396063653 /nfs/dbraw/zinc/06/36/53/396063653.db2.gz CNLQXQNBSCSHNE-SMDDNHRTSA-N 1 1 307.350 0.973 20 5 DCBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](O)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000278637960 396136604 /nfs/dbraw/zinc/13/66/04/396136604.db2.gz GTTGEIAZXHFHLH-BETUJISGSA-N 1 1 309.322 0.269 20 5 DCBDMO O=[N+]([O-])c1ccc(N2CCC[N@H+](CCO)CC2)c2nonc21 ZINC000264243143 396264317 /nfs/dbraw/zinc/26/43/17/396264317.db2.gz JTTRIQFCPQVRBU-UHFFFAOYSA-N 1 1 307.310 0.635 20 5 DCBDMO CC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000282342959 396282939 /nfs/dbraw/zinc/28/29/39/396282939.db2.gz MHXGWDBPKSPYBT-YPMHNXCESA-N 1 1 323.349 0.545 20 5 DCBDMO CC[N@@H+](CCO)CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000183985665 396280010 /nfs/dbraw/zinc/28/00/10/396280010.db2.gz KIAXJZHJPJLWQT-UHFFFAOYSA-N 1 1 311.338 0.404 20 5 DCBDMO COCC[N@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000264540093 396288932 /nfs/dbraw/zinc/28/89/32/396288932.db2.gz NLQIZVBSZMDFHQ-CYBMUJFWSA-N 1 1 307.350 0.974 20 5 DCBDMO Cc1ccc(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000264643034 396298947 /nfs/dbraw/zinc/29/89/47/396298947.db2.gz FHTLWBSARCDEDL-CYBMUJFWSA-N 1 1 306.366 0.879 20 5 DCBDMO CN1CC[C@@H]([N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000265667661 396335707 /nfs/dbraw/zinc/33/57/07/396335707.db2.gz WESGASPFBIJTDK-TZMCWYRMSA-N 1 1 323.349 0.497 20 5 DCBDMO Cc1[nH+]ccn1CCCN(C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000269605373 396428166 /nfs/dbraw/zinc/42/81/66/396428166.db2.gz NYNFPFMHZZIWRV-UHFFFAOYSA-N 1 1 306.326 0.845 20 5 DCBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000299235308 396712199 /nfs/dbraw/zinc/71/21/99/396712199.db2.gz KJCHXPXYRXDRDQ-SNVBAGLBSA-N 1 1 306.326 0.749 20 5 DCBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000611242273 396843560 /nfs/dbraw/zinc/84/35/60/396843560.db2.gz TYMFEXAGRCOCRT-GFCCVEGCSA-N 1 1 319.365 0.908 20 5 DCBDMO C[N@@H+](CCCO)C1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000590585822 396803134 /nfs/dbraw/zinc/80/31/34/396803134.db2.gz PTLIUEZZMMYWIJ-UHFFFAOYSA-N 1 1 309.370 0.855 20 5 DCBDMO CCCc1n[nH]c(C(=O)NCC[N@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000600537198 396887414 /nfs/dbraw/zinc/88/74/14/396887414.db2.gz YZKDOTCNYZECMU-SECBINFHSA-N 1 1 311.342 0.067 20 5 DCBDMO Cc1cc(OCC(=O)NCC[N@H+]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000600809203 396947813 /nfs/dbraw/zinc/94/78/13/396947813.db2.gz WEYWUMNLXRXYKZ-LBPRGKRZSA-N 1 1 323.349 0.465 20 5 DCBDMO CCCc1[nH]nc(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000592306604 397148523 /nfs/dbraw/zinc/14/85/23/397148523.db2.gz CRGMXLUSYMNNGB-WCBMZHEXSA-N 1 1 311.342 0.459 20 5 DCBDMO CC1(C)CC[C@H](CO)[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000598648087 397267967 /nfs/dbraw/zinc/26/79/67/397267967.db2.gz NQBBXNVEEQOEHK-DGCLKSJQSA-N 1 1 312.370 0.635 20 5 DCBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601974529 397278192 /nfs/dbraw/zinc/27/81/92/397278192.db2.gz SKZHFRHRLLNCGU-FRRDWIJNSA-N 1 1 308.334 0.913 20 5 DCBDMO C[N@@H+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@@H](CO)C1 ZINC000601979507 397279686 /nfs/dbraw/zinc/27/96/86/397279686.db2.gz IJCNTQQKHKPQLS-LLVKDONJSA-N 1 1 303.322 0.651 20 5 DCBDMO C[N@H+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@@H](CO)C1 ZINC000601979507 397279691 /nfs/dbraw/zinc/27/96/91/397279691.db2.gz IJCNTQQKHKPQLS-LLVKDONJSA-N 1 1 303.322 0.651 20 5 DCBDMO Cc1cnc(N2CC(CN3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000599104933 397338219 /nfs/dbraw/zinc/33/82/19/397338219.db2.gz GKEYIKAIJAPFQV-UHFFFAOYSA-N 1 1 305.382 0.982 20 5 DCBDMO Cc1cc(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000599106961 397338860 /nfs/dbraw/zinc/33/88/60/397338860.db2.gz JGQZQPVNQWTFCW-SNVBAGLBSA-N 1 1 315.351 0.170 20 5 DCBDMO CNC(=O)c1ccc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c([N+](=O)[O-])c1 ZINC000593508548 397378248 /nfs/dbraw/zinc/37/82/48/397378248.db2.gz RRBBGJHMRROUQX-GFCCVEGCSA-N 1 1 320.349 0.210 20 5 DCBDMO CNC(=O)c1ccc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c([N+](=O)[O-])c1 ZINC000593508548 397378250 /nfs/dbraw/zinc/37/82/50/397378250.db2.gz RRBBGJHMRROUQX-GFCCVEGCSA-N 1 1 320.349 0.210 20 5 DCBDMO COc1cc(CNCC[N@@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])cc1O ZINC000599010193 397323222 /nfs/dbraw/zinc/32/32/22/397323222.db2.gz RSISBQMBKGWUOB-LLVKDONJSA-N 1 1 311.338 0.465 20 5 DCBDMO COc1cc(CNCC[N@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])cc1O ZINC000599010193 397323224 /nfs/dbraw/zinc/32/32/24/397323224.db2.gz RSISBQMBKGWUOB-LLVKDONJSA-N 1 1 311.338 0.465 20 5 DCBDMO CC(C)(O)CN1CCC([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000602567496 397441238 /nfs/dbraw/zinc/44/12/38/397441238.db2.gz DXMRXAQLMYDXKB-UHFFFAOYSA-N 1 1 311.386 0.616 20 5 DCBDMO COc1cccc(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000593856725 397457673 /nfs/dbraw/zinc/45/76/73/397457673.db2.gz NOANUKVFCQMBJC-LLVKDONJSA-N 1 1 321.333 0.494 20 5 DCBDMO COc1cccc(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000593856725 397457678 /nfs/dbraw/zinc/45/76/78/397457678.db2.gz NOANUKVFCQMBJC-LLVKDONJSA-N 1 1 321.333 0.494 20 5 DCBDMO CC(C)[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000488023609 397483018 /nfs/dbraw/zinc/48/30/18/397483018.db2.gz IWAMTZHVTMPGRM-UONOGXRCSA-N 1 1 311.386 0.424 20 5 DCBDMO CC(C)[C@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000488023609 397483023 /nfs/dbraw/zinc/48/30/23/397483023.db2.gz IWAMTZHVTMPGRM-UONOGXRCSA-N 1 1 311.386 0.424 20 5 DCBDMO CC(C)[C@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000488023609 397483028 /nfs/dbraw/zinc/48/30/28/397483028.db2.gz IWAMTZHVTMPGRM-UONOGXRCSA-N 1 1 311.386 0.424 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000599939268 397546022 /nfs/dbraw/zinc/54/60/22/397546022.db2.gz UQVDETFDWKDDJY-ZYHUDNBSSA-N 1 1 308.338 0.214 20 5 DCBDMO O=C(CC[NH+]1CCN(CCO)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000068128257 158042437 /nfs/dbraw/zinc/04/24/37/158042437.db2.gz LRXDLOOLLXQPPZ-UHFFFAOYSA-N 1 1 322.365 0.533 20 5 DCBDMO CC[N@@H+]1CCO[C@@H](C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000089304595 158095757 /nfs/dbraw/zinc/09/57/57/158095757.db2.gz AAIUTCWAAYLXTL-CQSZACIVSA-N 1 1 307.350 0.974 20 5 DCBDMO CC[N@H+]1CCO[C@@H](C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000089304595 158095758 /nfs/dbraw/zinc/09/57/58/158095758.db2.gz AAIUTCWAAYLXTL-CQSZACIVSA-N 1 1 307.350 0.974 20 5 DCBDMO CN1CCN(C(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000352550999 159247058 /nfs/dbraw/zinc/24/70/58/159247058.db2.gz SHAKUOPQKIXGHE-UHFFFAOYSA-N 1 1 320.393 0.843 20 5 DCBDMO CN1CCN(C(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000352550999 159247059 /nfs/dbraw/zinc/24/70/59/159247059.db2.gz SHAKUOPQKIXGHE-UHFFFAOYSA-N 1 1 320.393 0.843 20 5 DCBDMO CN(CCc1ccccc1[N+](=O)[O-])CC(=O)N1CC[NH+](C)CC1 ZINC000352550999 159247061 /nfs/dbraw/zinc/24/70/61/159247061.db2.gz SHAKUOPQKIXGHE-UHFFFAOYSA-N 1 1 320.393 0.843 20 5 DCBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000342620950 415232451 /nfs/dbraw/zinc/23/24/51/415232451.db2.gz QFNNPOMTDURCMR-UHFFFAOYSA-N 1 1 311.386 0.878 20 5 DCBDMO CN(CCCN(C)C(=O)c1cc([N+](=O)[O-])c[nH]1)CC[NH+](C)C ZINC000342620950 415232462 /nfs/dbraw/zinc/23/24/62/415232462.db2.gz QFNNPOMTDURCMR-UHFFFAOYSA-N 1 1 311.386 0.878 20 5 DCBDMO Cc1[nH+]ccn1CCCn1cc([N+](=O)[O-])cc(C(N)=O)c1=O ZINC000342706209 415263048 /nfs/dbraw/zinc/26/30/48/415263048.db2.gz RJANZOXERURZLM-UHFFFAOYSA-N 1 1 305.294 0.451 20 5 DCBDMO COc1ccc(S(=O)(=O)N2CC([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000272092107 415278796 /nfs/dbraw/zinc/27/87/96/415278796.db2.gz JOQBPCJEKRVODB-UHFFFAOYSA-N 1 1 315.351 0.538 20 5 DCBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1COC[C@@H]1O ZINC000352797180 415324189 /nfs/dbraw/zinc/32/41/89/415324189.db2.gz IBPRVJPRGBAGRX-OLZOCXBDSA-N 1 1 309.322 0.615 20 5 DCBDMO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@@H+]1CCOC ZINC000285644032 415615815 /nfs/dbraw/zinc/61/58/15/415615815.db2.gz ZNGXFDSWKHAELE-JTQLQIEISA-N 1 1 311.342 0.501 20 5 DCBDMO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@H+]1CCOC ZINC000285644032 415615821 /nfs/dbraw/zinc/61/58/21/415615821.db2.gz ZNGXFDSWKHAELE-JTQLQIEISA-N 1 1 311.342 0.501 20 5 DCBDMO C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000108328403 415679055 /nfs/dbraw/zinc/67/90/55/415679055.db2.gz XOWWAUGTSKODEY-LLVKDONJSA-N 1 1 309.370 0.984 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425555091 287317237 /nfs/dbraw/zinc/31/72/37/287317237.db2.gz XHDOPVMCSHOZQB-SNVBAGLBSA-N 1 1 304.310 0.364 20 5 DCBDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2c2ccc([N+](=O)[O-])nc2)CC1 ZINC000344428263 415915185 /nfs/dbraw/zinc/91/51/85/415915185.db2.gz GQIYBBFCULICAL-ZDUSSCGKSA-N 1 1 319.365 0.733 20 5 DCBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCOCCO ZINC000337489171 415967086 /nfs/dbraw/zinc/96/70/86/415967086.db2.gz LGMCHXBBEFZTRS-NSHDSACASA-N 1 1 311.338 0.863 20 5 DCBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCOCCO ZINC000337489171 415967089 /nfs/dbraw/zinc/96/70/89/415967089.db2.gz LGMCHXBBEFZTRS-NSHDSACASA-N 1 1 311.338 0.863 20 5 DCBDMO CN(C)CC[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000356519334 415937519 /nfs/dbraw/zinc/93/75/19/415937519.db2.gz HJNAOUWZEGYSIV-UHFFFAOYSA-N 1 1 324.385 0.185 20 5 DCBDMO CN(CCCNC(=O)c1cc([N+](=O)[O-])cnc1N)CC[NH+](C)C ZINC000356519334 415937523 /nfs/dbraw/zinc/93/75/23/415937523.db2.gz HJNAOUWZEGYSIV-UHFFFAOYSA-N 1 1 324.385 0.185 20 5 DCBDMO C[C@@H]1[C@H](C)N(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000356905481 416002803 /nfs/dbraw/zinc/00/28/03/416002803.db2.gz RPLLJTYYYUNAPV-MNOVXSKESA-N 1 1 308.338 0.308 20 5 DCBDMO C[C@@H]1[C@H](C)N(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000356905481 416002810 /nfs/dbraw/zinc/00/28/10/416002810.db2.gz RPLLJTYYYUNAPV-MNOVXSKESA-N 1 1 308.338 0.308 20 5 DCBDMO C[N@@H+](CCc1cnccn1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000357046097 416025461 /nfs/dbraw/zinc/02/54/61/416025461.db2.gz ULZJQVGDHMOYPY-CYBMUJFWSA-N 1 1 306.326 0.117 20 5 DCBDMO CC[N@@H+](C)C[C@@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000357518724 416092149 /nfs/dbraw/zinc/09/21/49/416092149.db2.gz WRNWLULMCRBWQX-JTQLQIEISA-N 1 1 307.354 0.867 20 5 DCBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@](F)(CO)C2)c1 ZINC000338586264 416112182 /nfs/dbraw/zinc/11/21/82/416112182.db2.gz DZLLIBHMUDRBAW-JSGCOSHPSA-N 1 1 314.313 0.741 20 5 DCBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@](F)(CO)C2)c1 ZINC000338586264 416112184 /nfs/dbraw/zinc/11/21/84/416112184.db2.gz DZLLIBHMUDRBAW-JSGCOSHPSA-N 1 1 314.313 0.741 20 5 DCBDMO C[N@H+]1CC[C@@](O)(CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000358065166 416185866 /nfs/dbraw/zinc/18/58/66/416185866.db2.gz MSFRKOOIOVZSQW-CQSZACIVSA-N 1 1 309.322 0.156 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000358328773 416223342 /nfs/dbraw/zinc/22/33/42/416223342.db2.gz KJIGXXIGXHAGKM-HNNXBMFYSA-N 1 1 320.349 0.958 20 5 DCBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CCC[NH2+]C1 ZINC000193351452 416315707 /nfs/dbraw/zinc/31/57/07/416315707.db2.gz KGPIHZDBEXBGOO-QMMMGPOBSA-N 1 1 303.315 0.764 20 5 DCBDMO COc1cc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc([N+](=O)[O-])c1C ZINC000359759924 416357389 /nfs/dbraw/zinc/35/73/89/416357389.db2.gz SWQWWQAXVHIUSF-HNNXBMFYSA-N 1 1 323.349 0.708 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000535442253 416522229 /nfs/dbraw/zinc/52/22/29/416522229.db2.gz UHJGSNWPXJDNLX-UHFFFAOYSA-N 1 1 324.381 0.852 20 5 DCBDMO C[C@H]1C[N@H+](CCNc2ccc3ncc([N+](=O)[O-])n3n2)[C@@H](C)CO1 ZINC000596432837 416583384 /nfs/dbraw/zinc/58/33/84/416583384.db2.gz SZUVNHQCMWNTPP-QWRGUYRKSA-N 1 1 320.353 1.159 20 5 DCBDMO C[C@H]1C[N@@H+](CCNc2ccc3ncc([N+](=O)[O-])n3n2)[C@@H](C)CO1 ZINC000596432837 416583388 /nfs/dbraw/zinc/58/33/88/416583388.db2.gz SZUVNHQCMWNTPP-QWRGUYRKSA-N 1 1 320.353 1.159 20 5 DCBDMO Nc1nc(NC[C@H]2CC[N@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000596559143 416584665 /nfs/dbraw/zinc/58/46/65/416584665.db2.gz XHBYOKZLOJAKBV-GFCCVEGCSA-N 1 1 314.349 1.075 20 5 DCBDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000367578965 416648255 /nfs/dbraw/zinc/64/82/55/416648255.db2.gz XKYMFNTXRYSEDF-CHWSQXEVSA-N 1 1 309.370 0.586 20 5 DCBDMO C[C@H]1CC(=O)NCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000369441468 416776238 /nfs/dbraw/zinc/77/62/38/416776238.db2.gz ULFKYDQIHLIRFZ-AAEUAGOBSA-N 1 1 323.349 0.545 20 5 DCBDMO CC[N@@H+](C)C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000565162588 416935933 /nfs/dbraw/zinc/93/59/33/416935933.db2.gz JEYQNQBUSFEJLX-AWEZNQCLSA-N 1 1 323.397 0.424 20 5 DCBDMO CCC[N@H+](CC(N)=O)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000429159914 416950292 /nfs/dbraw/zinc/95/02/92/416950292.db2.gz FZXWGUNZHYGIKV-NSHDSACASA-N 1 1 311.338 0.532 20 5 DCBDMO NC(=O)[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CC[NH2+]1 ZINC000450233110 417208708 /nfs/dbraw/zinc/20/87/08/417208708.db2.gz NNUGSVWGBQOIOK-NSHDSACASA-N 1 1 301.306 0.407 20 5 DCBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](CO)CC(C)(C)C ZINC000451780208 417398205 /nfs/dbraw/zinc/39/82/05/417398205.db2.gz MTBAUURHOSYGFP-DGCLKSJQSA-N 1 1 314.386 0.881 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451622855 417367169 /nfs/dbraw/zinc/36/71/69/417367169.db2.gz HJSNARKQAQBZHO-PHIMTYICSA-N 1 1 305.290 0.308 20 5 DCBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000457110099 417691955 /nfs/dbraw/zinc/69/19/55/417691955.db2.gz HUCBAKJGFKXOBB-GFCCVEGCSA-N 1 1 322.365 0.698 20 5 DCBDMO CC(C)OCC[NH+]1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000355333929 261331734 /nfs/dbraw/zinc/33/17/34/261331734.db2.gz RGVDLQVMBOEBQF-UHFFFAOYSA-N 1 1 311.386 0.871 20 5 DCBDMO O=C1CNCCN1[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000362686489 262061437 /nfs/dbraw/zinc/06/14/37/262061437.db2.gz AHPDDCVVFJYYHL-HNNXBMFYSA-N 1 1 318.377 0.991 20 5 DCBDMO O=C1CNCCN1[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000362686489 262061439 /nfs/dbraw/zinc/06/14/39/262061439.db2.gz AHPDDCVVFJYYHL-HNNXBMFYSA-N 1 1 318.377 0.991 20 5 DCBDMO CNC(=O)C[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413087770 262200764 /nfs/dbraw/zinc/20/07/64/262200764.db2.gz FJZITLRLGOPCDT-UHFFFAOYSA-N 1 1 311.317 0.751 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000492557674 272135047 /nfs/dbraw/zinc/13/50/47/272135047.db2.gz DBGKVTULNMSUIN-QZDDGCDVSA-N 1 1 305.334 0.791 20 5 DCBDMO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nncn1C ZINC000494780737 272230887 /nfs/dbraw/zinc/23/08/87/272230887.db2.gz CRSSGTPVBJFYRI-GHMZBOCLSA-N 1 1 321.337 0.814 20 5 DCBDMO CNc1ccc(C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000547984687 288099102 /nfs/dbraw/zinc/09/91/02/288099102.db2.gz FGAVMKXUWAWZIW-NSHDSACASA-N 1 1 322.365 0.775 20 5 DCBDMO CCn1cnnc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000562988067 288612693 /nfs/dbraw/zinc/61/26/93/288612693.db2.gz LLNPZXNKIYGDDJ-NSHDSACASA-N 1 1 321.337 0.736 20 5 DCBDMO C[N@H+]1CC[C@H]2CCN(c3nccc(C(N)=O)c3[N+](=O)[O-])[C@@H]2C1 ZINC000290985355 290234132 /nfs/dbraw/zinc/23/41/32/290234132.db2.gz SHESSCWXNPNHOI-GXSJLCMTSA-N 1 1 305.338 0.619 20 5 DCBDMO C[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000123484196 297104393 /nfs/dbraw/zinc/10/43/93/297104393.db2.gz QZESOHFQUIVABK-MRVPVSSYSA-N 1 1 303.315 0.716 20 5 DCBDMO CCOc1cc(C[NH2+][C@@]2(C(N)=O)CCOC2)ccc1[N+](=O)[O-] ZINC000583211731 337272870 /nfs/dbraw/zinc/27/28/70/337272870.db2.gz FDVONKRTCFTOSG-AWEZNQCLSA-N 1 1 309.322 0.728 20 5 DCBDMO CN(CC[NH2+]Cc1ccc(Cl)nc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001567494113 1160395518 /nfs/dbraw/zinc/39/55/18/1160395518.db2.gz QYNNVPWQCFCVPA-GHMZBOCLSA-N 1 1 312.757 0.948 20 5 DCBDMO Cc1nc(N2CC[N@H+](CC(C)(C)O)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000294888423 534443375 /nfs/dbraw/zinc/44/33/75/534443375.db2.gz GCKZRWHXYCUVSW-SNVBAGLBSA-N 1 1 309.370 0.975 20 5 DCBDMO COC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266566838 523951295 /nfs/dbraw/zinc/95/12/95/523951295.db2.gz ZXAFYLSKSNGXPX-CMPLNLGQSA-N 1 1 312.326 0.037 20 5 DCBDMO Cc1cc(C(=O)NCC[N@@H+]2CCCOCC2)c(N)c([N+](=O)[O-])c1 ZINC000189460210 526267232 /nfs/dbraw/zinc/26/72/32/526267232.db2.gz DLOAKTOXXNGEJB-UHFFFAOYSA-N 1 1 322.365 0.938 20 5 DCBDMO Cc1cc(C(=O)NCC[N@H+]2CCCOCC2)c(N)c([N+](=O)[O-])c1 ZINC000189460210 526267235 /nfs/dbraw/zinc/26/72/35/526267235.db2.gz DLOAKTOXXNGEJB-UHFFFAOYSA-N 1 1 322.365 0.938 20 5 DCBDMO Nc1c(C(=O)NCC[N@@H+]2CCCOCC2)cccc1[N+](=O)[O-] ZINC000189475201 527426568 /nfs/dbraw/zinc/42/65/68/527426568.db2.gz GPLHDQVXUJOTHE-UHFFFAOYSA-N 1 1 308.338 0.629 20 5 DCBDMO Nc1c(C(=O)NCC[N@H+]2CCCOCC2)cccc1[N+](=O)[O-] ZINC000189475201 527426577 /nfs/dbraw/zinc/42/65/77/527426577.db2.gz GPLHDQVXUJOTHE-UHFFFAOYSA-N 1 1 308.338 0.629 20 5 DCBDMO COCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736990955 598394967 /nfs/dbraw/zinc/39/49/67/598394967.db2.gz WDMDHZUYLMQAEI-UHFFFAOYSA-N 1 1 321.341 0.765 20 5 DCBDMO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+](C3CC3)C2)c(-c2nn[nH]n2)c1 ZINC000738368050 598499637 /nfs/dbraw/zinc/49/96/37/598499637.db2.gz CMXVQGGCOYVANC-MRVPVSSYSA-N 1 1 316.325 0.819 20 5 DCBDMO Cc1nc(CC[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC001022063429 658820538 /nfs/dbraw/zinc/82/05/38/658820538.db2.gz BKXZRAUPSJZMPX-YVECIDJPSA-N 1 1 324.406 0.896 20 5 DCBDMO O=C(N[C@H]1C[C@H](C[NH2+]Cc2nccs2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983648931 661997057 /nfs/dbraw/zinc/99/70/57/661997057.db2.gz MSPNVSKDUIRXEB-GWOFURMSSA-N 1 1 310.379 0.793 20 5 DCBDMO Cn1nccc1C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985431122 662443341 /nfs/dbraw/zinc/44/33/41/662443341.db2.gz MHYSFJJFNLAEIZ-ZIAGYGMSSA-N 1 1 321.381 0.508 20 5 DCBDMO Cn1nccc1C[N@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985431122 662443342 /nfs/dbraw/zinc/44/33/42/662443342.db2.gz MHYSFJJFNLAEIZ-ZIAGYGMSSA-N 1 1 321.381 0.508 20 5 DCBDMO Cn1nccc1C[N@@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985431122 662443343 /nfs/dbraw/zinc/44/33/43/662443343.db2.gz MHYSFJJFNLAEIZ-ZIAGYGMSSA-N 1 1 321.381 0.508 20 5 DCBDMO Cn1ccc(CN2CC=C(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001000669697 665913595 /nfs/dbraw/zinc/91/35/95/665913595.db2.gz KAEBNFYPHXFKOF-ZIAGYGMSSA-N 1 1 319.365 0.334 20 5 DCBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)[C@H]1C[N@@H+](C)CCN1C ZINC000900808257 663282691 /nfs/dbraw/zinc/28/26/91/663282691.db2.gz WGVCZFCBAPMTFL-ZWNOBZJWSA-N 1 1 309.370 0.297 20 5 DCBDMO O=[N+]([O-])c1ccccc1-c1nnn(CCC[NH+]2CCOCC2)n1 ZINC000912457867 664178001 /nfs/dbraw/zinc/17/80/01/664178001.db2.gz CRPVYDSVOLPULW-UHFFFAOYSA-N 1 1 318.337 0.971 20 5 DCBDMO C[N@@H+]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])[C@H](CO)C1 ZINC000912736509 664213432 /nfs/dbraw/zinc/21/34/32/664213432.db2.gz WKTBAFUGYISJQA-NSHDSACASA-N 1 1 311.313 0.411 20 5 DCBDMO C[N@H+]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])[C@H](CO)C1 ZINC000912736509 664213433 /nfs/dbraw/zinc/21/34/33/664213433.db2.gz WKTBAFUGYISJQA-NSHDSACASA-N 1 1 311.313 0.411 20 5 DCBDMO Cc1c(CC(=O)N2CC[N@@H+](C)C[C@H]2CO)cccc1[N+](=O)[O-] ZINC000912740928 664216230 /nfs/dbraw/zinc/21/62/30/664216230.db2.gz GYBXUEMGPRIUTC-ZDUSSCGKSA-N 1 1 307.350 0.581 20 5 DCBDMO Cc1c(CC(=O)N2CC[N@H+](C)C[C@H]2CO)cccc1[N+](=O)[O-] ZINC000912740928 664216231 /nfs/dbraw/zinc/21/62/31/664216231.db2.gz GYBXUEMGPRIUTC-ZDUSSCGKSA-N 1 1 307.350 0.581 20 5 DCBDMO Cn1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC000997770693 665337020 /nfs/dbraw/zinc/33/70/20/665337020.db2.gz XMFVMPRZPBGSIX-ZIAGYGMSSA-N 1 1 321.381 0.414 20 5 DCBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000863327601 667130892 /nfs/dbraw/zinc/13/08/92/667130892.db2.gz PJCNGDKQQHEMAU-GFCCVEGCSA-N 1 1 322.365 0.457 20 5 DCBDMO O=[N+]([O-])c1cc(CO)c(N2CC[N@@H+]3CCOC[C@@H]3C2)cc1F ZINC000865676413 667338085 /nfs/dbraw/zinc/33/80/85/667338085.db2.gz MXGHQZZJMIRMKM-NSHDSACASA-N 1 1 311.313 0.747 20 5 DCBDMO O=[N+]([O-])c1cc(CO)c(N2CC[N@H+]3CCOC[C@@H]3C2)cc1F ZINC000865676413 667338086 /nfs/dbraw/zinc/33/80/86/667338086.db2.gz MXGHQZZJMIRMKM-NSHDSACASA-N 1 1 311.313 0.747 20 5 DCBDMO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000869149609 667631325 /nfs/dbraw/zinc/63/13/25/667631325.db2.gz QGKRCCNQYNAPCU-GFCCVEGCSA-N 1 1 323.324 0.554 20 5 DCBDMO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000869149609 667631327 /nfs/dbraw/zinc/63/13/27/667631327.db2.gz QGKRCCNQYNAPCU-GFCCVEGCSA-N 1 1 323.324 0.554 20 5 DCBDMO O=C(Cc1cccc(F)c1[N+](=O)[O-])NCC[N@@H+]1CC[C@H](O)C1 ZINC000869502748 667663470 /nfs/dbraw/zinc/66/34/70/667663470.db2.gz VNMNEDZSCJTENC-NSHDSACASA-N 1 1 311.313 0.459 20 5 DCBDMO COCCOCC[NH+]1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886269272 667750377 /nfs/dbraw/zinc/75/03/77/667750377.db2.gz PWYUJMMQOLNVKC-UHFFFAOYSA-N 1 1 324.381 0.770 20 5 DCBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCN3CCOC[C@@H]3C2)cc1 ZINC000755207586 668057815 /nfs/dbraw/zinc/05/78/15/668057815.db2.gz ITUVLZFTPPBMKU-GJZGRUSLSA-N 1 1 307.350 0.645 20 5 DCBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCN3CCOC[C@@H]3C2)cc1 ZINC000755207586 668057817 /nfs/dbraw/zinc/05/78/17/668057817.db2.gz ITUVLZFTPPBMKU-GJZGRUSLSA-N 1 1 307.350 0.645 20 5 DCBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)[C@@H]1C[N@H+](C)CCO1 ZINC000758384049 668171035 /nfs/dbraw/zinc/17/10/35/668171035.db2.gz PSUGVWRVKUKGQE-KWQFWETISA-N 1 1 309.326 0.021 20 5 DCBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)[C@@H]1C[N@@H+](C)CCO1 ZINC000758384049 668171036 /nfs/dbraw/zinc/17/10/36/668171036.db2.gz PSUGVWRVKUKGQE-KWQFWETISA-N 1 1 309.326 0.021 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000874843079 668226568 /nfs/dbraw/zinc/22/65/68/668226568.db2.gz LOXJSOWMYJTXKB-VXGBXAGGSA-N 1 1 307.354 0.795 20 5 DCBDMO Cc1[nH+]ccn1CCOC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000771939097 668759808 /nfs/dbraw/zinc/75/98/08/668759808.db2.gz UKAXBWVNIQXCDV-UHFFFAOYSA-N 1 1 306.278 0.505 20 5 DCBDMO Cn1cc([N+](=O)[O-])c(C(=O)OCC[NH+]2CCSCC2)n1 ZINC000780424827 668985647 /nfs/dbraw/zinc/98/56/47/668985647.db2.gz QREZECFQNSEQPZ-UHFFFAOYSA-N 1 1 300.340 0.534 20 5 DCBDMO CCn1c(C)nc([N+](=O)[O-])c1NCC(=O)N1CC[NH+](C)CC1 ZINC000807960764 670382581 /nfs/dbraw/zinc/38/25/81/670382581.db2.gz NCXRPZYIVZXBOY-UHFFFAOYSA-N 1 1 310.358 0.306 20 5 DCBDMO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000813740775 670649019 /nfs/dbraw/zinc/64/90/19/670649019.db2.gz HDNPWTDZIKYSKE-PSASIEDQSA-N 1 1 317.392 0.981 20 5 DCBDMO C[N@H+]1C[C@H]2CCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000813740775 670649021 /nfs/dbraw/zinc/64/90/21/670649021.db2.gz HDNPWTDZIKYSKE-PSASIEDQSA-N 1 1 317.392 0.981 20 5 DCBDMO CNC(=O)[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000817371198 670916515 /nfs/dbraw/zinc/91/65/15/670916515.db2.gz ZGOTULXQIUDRIG-JTQLQIEISA-N 1 1 303.322 0.970 20 5 DCBDMO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2nnnn2CC2CC2)cc1 ZINC000819237825 671104479 /nfs/dbraw/zinc/10/44/79/671104479.db2.gz OZBCFRWPOUWZHB-ZDUSSCGKSA-N 1 1 318.337 0.815 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000829570082 671580201 /nfs/dbraw/zinc/58/02/01/671580201.db2.gz MVBPXSLZRPYVRR-NWDGAFQWSA-N 1 1 307.354 0.795 20 5 DCBDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000830871835 671644855 /nfs/dbraw/zinc/64/48/55/671644855.db2.gz OSSWFPYPXXMRGF-KWCYVHTRSA-N 1 1 324.333 0.484 20 5 DCBDMO O=[N+]([O-])c1cccc([C@H](O)CN[C@@H](CO)C[NH+]2CCCC2)c1 ZINC000843118116 672064305 /nfs/dbraw/zinc/06/43/05/672064305.db2.gz WOYBRPGOBFCMFY-UKRRQHHQSA-N 1 1 309.366 0.675 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1-c1noc(CN2CC[NH2+]CC2=O)n1 ZINC000843187053 672068777 /nfs/dbraw/zinc/06/87/77/672068777.db2.gz KCGBVLOTUZTOOQ-UHFFFAOYSA-N 1 1 317.305 0.885 20 5 DCBDMO Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1C ZINC001020139021 693709580 /nfs/dbraw/zinc/70/95/80/693709580.db2.gz MVZDMDFGGOUPMW-FPQZTECRSA-N 1 1 307.354 0.131 20 5 DCBDMO O=C(N[C@H]1C[C@H]([NH2+]CCC2CCOCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139969 693711405 /nfs/dbraw/zinc/71/14/05/693711405.db2.gz RLJXZGCKBPFCPE-AAVRWANBSA-N 1 1 311.382 0.705 20 5 DCBDMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cncc(C)c1 ZINC001691017691 1157401908 /nfs/dbraw/zinc/40/19/08/1157401908.db2.gz POJGVWLINBWBLU-ZIAGYGMSSA-N 1 1 306.366 0.993 20 5 DCBDMO COCCC[N@@H+](C)CCNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001566158709 1159970814 /nfs/dbraw/zinc/97/08/14/1159970814.db2.gz FCCMTAYHCQQIIX-UHFFFAOYSA-N 1 1 319.749 0.669 20 5 DCBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC001578523544 1165040861 /nfs/dbraw/zinc/04/08/61/1165040861.db2.gz MNAINYPOYLVXQC-PJODQICGSA-N 1 1 318.377 0.931 20 5 DCBDMO C[C@H]1CC[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C[C@@H]1O ZINC001590271590 1166833909 /nfs/dbraw/zinc/83/39/09/1166833909.db2.gz IQDRFHPVVCUACL-ZANVPECISA-N 1 1 318.337 0.978 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(c3ccc(-c4nn[nH]n4)c([N+](=O)[O-])c3)C[C@@H]21 ZINC001591196284 1167145400 /nfs/dbraw/zinc/14/54/00/1167145400.db2.gz RSLZXUPQQNEHPU-RNCFNFMXSA-N 1 1 315.337 0.915 20 5 DCBDMO C[C@@H]1C[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC001620943556 1167960903 /nfs/dbraw/zinc/96/09/03/1167960903.db2.gz ATWFUJQDJCYXBS-MNOVXSKESA-N 1 1 308.338 0.355 20 5 DCBDMO CC[C@H]1C[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C[C@H]1O ZINC001609202609 1170866938 /nfs/dbraw/zinc/86/69/38/1170866938.db2.gz MFAFNZKLFAVILF-TVQRCGJNSA-N 1 1 318.337 0.978 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC[C@H]21 ZINC001612770332 1171364860 /nfs/dbraw/zinc/36/48/60/1171364860.db2.gz ZFEPJTWAOQFZEY-BXKDBHETSA-N 1 1 305.338 0.619 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)c1 ZINC001620524215 1171404075 /nfs/dbraw/zinc/40/40/75/1171404075.db2.gz OOSPKDDZVODKCH-BARDWOONSA-N 1 1 324.381 0.778 20 5 DCBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001626361579 1171480341 /nfs/dbraw/zinc/48/03/41/1171480341.db2.gz QRWOAEPUHQPPAS-SNVBAGLBSA-N 1 1 308.338 0.316 20 5 DCBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001626361579 1171480342 /nfs/dbraw/zinc/48/03/42/1171480342.db2.gz QRWOAEPUHQPPAS-SNVBAGLBSA-N 1 1 308.338 0.316 20 5 DCBDMO C[N@@H+](CCO)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001638257202 1171794018 /nfs/dbraw/zinc/79/40/18/1171794018.db2.gz OMYXHPFHKQTZAE-UHFFFAOYSA-N 1 1 306.322 0.730 20 5 DCBDMO COC[C@]1(CO)CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001643116882 1171966259 /nfs/dbraw/zinc/96/62/59/1171966259.db2.gz DNJTYWKWPPLDMC-HUUCEWRRSA-N 1 1 310.350 0.959 20 5 DCBDMO C[N@@H+](CCO)CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC001643172261 1171968496 /nfs/dbraw/zinc/96/84/96/1171968496.db2.gz IFFKBVWQQSAKFB-UHFFFAOYSA-N 1 1 308.338 0.816 20 5 DCBDMO C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1CO ZINC001644090177 1171995278 /nfs/dbraw/zinc/99/52/78/1171995278.db2.gz JPXNOBOVUBWXOU-GFCCVEGCSA-N 1 1 310.310 0.611 20 5 DCBDMO C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1CO ZINC001644090177 1171995286 /nfs/dbraw/zinc/99/52/86/1171995286.db2.gz JPXNOBOVUBWXOU-GFCCVEGCSA-N 1 1 310.310 0.611 20 5 DCBDMO COCC[N@H+](CCC(=O)OC)CCn1cc([N+](=O)[O-])cn1 ZINC001644584039 1172011312 /nfs/dbraw/zinc/01/13/12/1172011312.db2.gz KQFCUIHSPAXTGC-UHFFFAOYSA-N 1 1 300.315 0.303 20 5 DCBDMO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CC([NH2+]C2COC2)C1 ZINC001645770886 1172134081 /nfs/dbraw/zinc/13/40/81/1172134081.db2.gz CFVOLAFNNNGYDJ-UHFFFAOYSA-N 1 1 316.317 0.889 20 5 DCBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001651383833 1173748033 /nfs/dbraw/zinc/74/80/33/1173748033.db2.gz PFQVKJOZUFMSBD-QWRGUYRKSA-N 1 1 305.338 0.762 20 5 DCBDMO O=c1[nH]ccc(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1[N+](=O)[O-] ZINC001651495593 1173750817 /nfs/dbraw/zinc/75/08/17/1173750817.db2.gz XATGLNMDMTUIRQ-WDEREUQCSA-N 1 1 308.338 0.731 20 5 DCBDMO O=C(CC[N@H+]1C[C@@H](O)[C@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC001654688399 1173809745 /nfs/dbraw/zinc/80/97/45/1173809745.db2.gz UUTVDLGQRGSAHC-GXFFZTMASA-N 1 1 309.322 0.208 20 5 DCBDMO COc1ccc(OCC[N@@H+]2CC[C@@H](O)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001655343879 1173817892 /nfs/dbraw/zinc/81/78/92/1173817892.db2.gz MSFQWNCFPLUAHA-OLZOCXBDSA-N 1 1 312.322 0.410 20 5 DCBDMO COc1ccc(OCC[N@H+]2CC[C@@H](O)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001655343879 1173817895 /nfs/dbraw/zinc/81/78/95/1173817895.db2.gz MSFQWNCFPLUAHA-OLZOCXBDSA-N 1 1 312.322 0.410 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](c3cnccn3)C2)c1 ZINC001655712571 1173825438 /nfs/dbraw/zinc/82/54/38/1173825438.db2.gz HJMVMCIWFGQPDK-YPMHNXCESA-N 1 1 318.337 0.432 20 5 DCBDMO NS(=O)(=O)c1cccc(N[C@@H]2Cc3c[nH+]cn3C2)c1[N+](=O)[O-] ZINC001655723978 1173825927 /nfs/dbraw/zinc/82/59/27/1173825927.db2.gz FVYCFOGJOTXOEM-MRVPVSSYSA-N 1 1 323.334 0.476 20 5 DCBDMO O=C(NCCCN1CC[NH+](CC2CCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001690057414 1177154892 /nfs/dbraw/zinc/15/48/92/1177154892.db2.gz ADDQFZXCUYXDQH-HUUCEWRRSA-N 1 1 324.425 0.576 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CC=CCNC(=O)c1ccn[nH]1 ZINC001699235330 1177963804 /nfs/dbraw/zinc/96/38/04/1177963804.db2.gz ZPEBTHGDPXVZLU-NSCUHMNNSA-N 1 1 319.325 0.127 20 5 DCBDMO CCCC[NH+]1CCN(CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001713798099 1181074434 /nfs/dbraw/zinc/07/44/34/1181074434.db2.gz PHRVMHKLRSUBCO-ZIAGYGMSSA-N 1 1 312.414 0.576 20 5 DCBDMO Cc1noc(CCC[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001731445142 1185336027 /nfs/dbraw/zinc/33/60/27/1185336027.db2.gz XWLJJQLTFZPTSI-DDHJBXDOSA-N 1 1 323.353 0.213 20 5 DCBDMO CN(CC[NH2+]Cc1ccc2c(c1)COC2)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001731910716 1185567488 /nfs/dbraw/zinc/56/74/88/1185567488.db2.gz CXVSPWFJDLOYGK-HUUCEWRRSA-N 1 1 319.361 0.930 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C/C=C\CNC(=O)C(C)(F)F ZINC001732816736 1185983670 /nfs/dbraw/zinc/98/36/70/1185983670.db2.gz UZZFBBYKHACUQF-ARJAWSKDSA-N 1 1 317.296 0.746 20 5 DCBDMO O=C(NCC=CC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ncn[nH]1 ZINC001754184830 1188776935 /nfs/dbraw/zinc/77/69/35/1188776935.db2.gz BIDAPUYQHJISBS-OWOJBTEDSA-N 1 1 316.321 0.789 20 5 DCBDMO O=C(NCC=CC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1nc[nH]n1 ZINC001754184830 1188776940 /nfs/dbraw/zinc/77/69/40/1188776940.db2.gz BIDAPUYQHJISBS-OWOJBTEDSA-N 1 1 316.321 0.789 20 5 DCBDMO C[N@H+]1CCO[C@H]2CN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])C[C@@H]21 ZINC001164671896 719396908 /nfs/dbraw/zinc/39/69/08/719396908.db2.gz ZJQJOOLKTUDQGS-UWVGGRQHSA-N 1 1 314.729 0.401 20 5 DCBDMO CCNC(=O)[C@H](C)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001577785909 1164793303 /nfs/dbraw/zinc/79/33/03/1164793303.db2.gz VWBLRYIILIRDEH-XPTSAGLGSA-N 1 1 308.338 0.410 20 5 DCBDMO CC(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC001105235883 748076406 /nfs/dbraw/zinc/07/64/06/748076406.db2.gz YFHNHYGJEGWSQE-CHWSQXEVSA-N 1 1 322.369 0.072 20 5 DCBDMO CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH+](CCn2cccn2)CC1 ZINC001045437191 753193949 /nfs/dbraw/zinc/19/39/49/753193949.db2.gz HXCQXSPEGBJFMB-CHWSQXEVSA-N 1 1 321.381 0.519 20 5 DCBDMO COC[C@@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2nnn(C)c21 ZINC001169019030 760559450 /nfs/dbraw/zinc/55/94/50/760559450.db2.gz GIGCFULHTXEMIR-SRVKXCTJSA-N 1 1 309.370 0.806 20 5 DCBDMO COC[C@@H]1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2nnn(C)c21 ZINC001169019030 760559452 /nfs/dbraw/zinc/55/94/52/760559452.db2.gz GIGCFULHTXEMIR-SRVKXCTJSA-N 1 1 309.370 0.806 20 5 DCBDMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001123493960 767986823 /nfs/dbraw/zinc/98/68/23/767986823.db2.gz CXYDIPOVQTYHPT-SWLSCSKDSA-N 1 1 318.377 0.942 20 5 DCBDMO CC(C)SCC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001123775049 768055757 /nfs/dbraw/zinc/05/57/57/768055757.db2.gz UAQLGLUGDCOQML-UHFFFAOYSA-N 1 1 315.399 0.676 20 5 DCBDMO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC001116422881 765869619 /nfs/dbraw/zinc/86/96/19/765869619.db2.gz LRMFWYUCHAJLHB-SNVBAGLBSA-N 1 1 323.353 0.549 20 5 DCBDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(CC(N)=O)CC1 ZINC001173232803 769567681 /nfs/dbraw/zinc/56/76/81/769567681.db2.gz HYZIDSWHNATJTR-GFCCVEGCSA-N 1 1 306.366 0.629 20 5 DCBDMO COC(=O)[C@]1(O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC001175668983 769940164 /nfs/dbraw/zinc/94/01/64/769940164.db2.gz JYBISQWPFZEXSU-AWEZNQCLSA-N 1 1 310.306 0.713 20 5 DCBDMO COC(=O)[C@]1(O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC001175668983 769940171 /nfs/dbraw/zinc/94/01/71/769940171.db2.gz JYBISQWPFZEXSU-AWEZNQCLSA-N 1 1 310.306 0.713 20 5 DCBDMO NC(=O)[C@]12CCC[C@H]1C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC001176555166 770124823 /nfs/dbraw/zinc/12/48/23/770124823.db2.gz ILJSBOXGJWDNDK-NHYWBVRUSA-N 1 1 320.349 0.344 20 5 DCBDMO O=C(NCCCCCC[NH2+]CCn1cccn1)[C@@H]1CC1[N+](=O)[O-] ZINC001178449957 770744737 /nfs/dbraw/zinc/74/47/37/770744737.db2.gz KWVLMTNNHWELPE-ZIAGYGMSSA-N 1 1 323.397 0.815 20 5 DCBDMO Cc1cc(C(=O)NCC(=O)NC[C@@H]2CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC001178455793 770758177 /nfs/dbraw/zinc/75/81/77/770758177.db2.gz LIVRNGXQQWEOFX-LBPRGKRZSA-N 1 1 320.349 0.453 20 5 DCBDMO COc1cc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])ccn1 ZINC001157760273 771664565 /nfs/dbraw/zinc/66/45/65/771664565.db2.gz AAUFHHOPKYCGQM-VXGBXAGGSA-N 1 1 308.338 0.351 20 5 DCBDMO NS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001193742505 773104001 /nfs/dbraw/zinc/10/40/01/773104001.db2.gz CHCSDSIXRRIJNK-SNVBAGLBSA-N 1 1 314.367 0.490 20 5 DCBDMO NS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001193742505 773104002 /nfs/dbraw/zinc/10/40/02/773104002.db2.gz CHCSDSIXRRIJNK-SNVBAGLBSA-N 1 1 314.367 0.490 20 5 DCBDMO CNC(=O)[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001195307808 773374106 /nfs/dbraw/zinc/37/41/06/773374106.db2.gz YFLCIDZLTWNLRZ-NEPJUHHUSA-N 1 1 323.349 0.402 20 5 DCBDMO Cc1ncsc1CC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266273334 939039811 /nfs/dbraw/zinc/03/98/11/939039811.db2.gz PSMSWQUSMUMLIZ-GHMZBOCLSA-N 1 1 312.395 0.707 20 5 DCBDMO Cc1ncsc1CC[N@H+](C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266273334 939039816 /nfs/dbraw/zinc/03/98/16/939039816.db2.gz PSMSWQUSMUMLIZ-GHMZBOCLSA-N 1 1 312.395 0.707 20 5 DCBDMO Cc1ncsc1CC[N@@H+](C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266273334 939039821 /nfs/dbraw/zinc/03/98/21/939039821.db2.gz PSMSWQUSMUMLIZ-GHMZBOCLSA-N 1 1 312.395 0.707 20 5 DCBDMO CC(C)N(CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C(N)=O ZINC001486374826 944843321 /nfs/dbraw/zinc/84/33/21/944843321.db2.gz KOEGTPIXWDMNPC-UHFFFAOYSA-N 1 1 322.365 0.749 20 5 DCBDMO CC(C)N(CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C(N)=O ZINC001486374826 944843327 /nfs/dbraw/zinc/84/33/27/944843327.db2.gz KOEGTPIXWDMNPC-UHFFFAOYSA-N 1 1 322.365 0.749 20 5 DCBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C3CCOCC3)CC2)n1 ZINC001319783309 945664372 /nfs/dbraw/zinc/66/43/72/945664372.db2.gz CWZVPGMEYUAXDQ-UHFFFAOYSA-N 1 1 323.353 0.265 20 5 DCBDMO COC(=O)[C@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCN1C ZINC001254608346 946414853 /nfs/dbraw/zinc/41/48/53/946414853.db2.gz QUXWDJAETRMYGZ-HUUCEWRRSA-N 1 1 319.361 0.851 20 5 DCBDMO COC(=O)[C@H]1C[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCN1C ZINC001254608346 946414860 /nfs/dbraw/zinc/41/48/60/946414860.db2.gz QUXWDJAETRMYGZ-HUUCEWRRSA-N 1 1 319.361 0.851 20 5 DCBDMO Cn1cc(CC[NH2+]C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)cn1 ZINC001326822742 948291116 /nfs/dbraw/zinc/29/11/16/948291116.db2.gz PJGFSBRTZATUQP-CHWSQXEVSA-N 1 1 321.381 0.256 20 5 DCBDMO CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cc(C)ncn1 ZINC001265113413 949320255 /nfs/dbraw/zinc/32/02/55/949320255.db2.gz MFKWWIFHORSAMD-ZIAGYGMSSA-N 1 1 321.381 0.778 20 5 DCBDMO CC[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cc(C)ncn1 ZINC001265113413 949320273 /nfs/dbraw/zinc/32/02/73/949320273.db2.gz MFKWWIFHORSAMD-ZIAGYGMSSA-N 1 1 321.381 0.778 20 5 DCBDMO CC[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cc(C)ncn1 ZINC001265113413 949320289 /nfs/dbraw/zinc/32/02/89/949320289.db2.gz MFKWWIFHORSAMD-ZIAGYGMSSA-N 1 1 321.381 0.778 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(OCCC[NH2+]CCF)CC1 ZINC001329778472 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C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001447286329 1013344203 /nfs/dbraw/zinc/34/42/03/1013344203.db2.gz PCQXRZBOZOIECI-LKFCYVNXSA-N 1 1 319.321 0.865 20 5 DCBDMO C[C@H](O)C[N@H+](CCO)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001473513820 1016940545 /nfs/dbraw/zinc/94/05/45/1016940545.db2.gz HFDUVHQCYIGODU-JTQLQIEISA-N 1 1 322.321 0.820 20 5 DCBDMO C[C@H](O)C[N@@H+](CCO)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001473513820 1016940560 /nfs/dbraw/zinc/94/05/60/1016940560.db2.gz HFDUVHQCYIGODU-JTQLQIEISA-N 1 1 322.321 0.820 20 5 DCBDMO C[N@H+]1C[C@@]2(C)CN(C(=O)c3cnc(N)c([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC001454284213 1009042026 /nfs/dbraw/zinc/04/20/26/1009042026.db2.gz GQFDINIARSIPIW-GASCZTMLSA-N 1 1 319.365 0.986 20 5 DCBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC001454608732 1009224064 /nfs/dbraw/zinc/22/40/64/1009224064.db2.gz NWFTZAFEZSLGLM-JTQLQIEISA-N 1 1 322.365 0.752 20 5 DCBDMO CC[N@H+]1C[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C(C)(C)C1 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IYRKLIRQMODPLF-JTQLQIEISA-N 1 1 317.342 0.844 20 5 DCBDMO O=C(NC1CC1)[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090549102 185302271 /nfs/dbraw/zinc/30/22/71/185302271.db2.gz IOOFKGQXUOLKRG-CYBMUJFWSA-N 1 1 320.349 0.500 20 5 DCBDMO O=C(NC1CC1)[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090549102 185302272 /nfs/dbraw/zinc/30/22/72/185302272.db2.gz IOOFKGQXUOLKRG-CYBMUJFWSA-N 1 1 320.349 0.500 20 5 DCBDMO C[C@H]1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1C ZINC000330903332 232150309 /nfs/dbraw/zinc/15/03/09/232150309.db2.gz LPDAHGZWZLJISH-WDEREUQCSA-N 1 1 308.338 0.355 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](C3CCOCC3)C2)c1 ZINC000331746438 234075462 /nfs/dbraw/zinc/07/54/62/234075462.db2.gz ZHGZJIJXNYAQNL-UKRRQHHQSA-N 1 1 324.381 0.901 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000315438633 291253297 /nfs/dbraw/zinc/25/32/97/291253297.db2.gz YWZKVIKTYIWPAF-RDBSUJKOSA-N 1 1 309.370 0.369 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000315438633 291253299 /nfs/dbraw/zinc/25/32/99/291253299.db2.gz YWZKVIKTYIWPAF-RDBSUJKOSA-N 1 1 309.370 0.369 20 5 DCBDMO C[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000340913769 253321763 /nfs/dbraw/zinc/32/17/63/253321763.db2.gz GVVMOECWYQITNJ-GXFFZTMASA-N 1 1 305.334 0.939 20 5 DCBDMO C[C@H]1C[C@@H](O)C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000340913769 253321765 /nfs/dbraw/zinc/32/17/65/253321765.db2.gz GVVMOECWYQITNJ-GXFFZTMASA-N 1 1 305.334 0.939 20 5 DCBDMO COCC[N@@H+](CCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272985066 210363736 /nfs/dbraw/zinc/36/37/36/210363736.db2.gz DRRHHHYFDMSHJI-GFCCVEGCSA-N 1 1 314.338 0.275 20 5 DCBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000349300763 254279870 /nfs/dbraw/zinc/27/98/70/254279870.db2.gz TXUNPZZTZDDIAJ-JTQLQIEISA-N 1 1 312.322 0.959 20 5 DCBDMO C[C@@H](CO)[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000351522204 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20 5 DCBDMO C[C@@H](CO)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000121446302 395883670 /nfs/dbraw/zinc/88/36/70/395883670.db2.gz VLBWDYNQLAYVGT-GFCCVEGCSA-N 1 1 307.350 0.981 20 5 DCBDMO [NH3+]C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000274780647 395976172 /nfs/dbraw/zinc/97/61/72/395976172.db2.gz LIVKLBFVVHXUIW-SECBINFHSA-N 1 1 305.294 0.271 20 5 DCBDMO C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000157892173 396064613 /nfs/dbraw/zinc/06/46/13/396064613.db2.gz FOTSJTWNHQOVEQ-RISCZKNCSA-N 1 1 323.349 0.809 20 5 DCBDMO C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000157892173 396064616 /nfs/dbraw/zinc/06/46/16/396064616.db2.gz FOTSJTWNHQOVEQ-RISCZKNCSA-N 1 1 323.349 0.809 20 5 DCBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261781055 396064855 /nfs/dbraw/zinc/06/48/55/396064855.db2.gz PNHYKNPSLYNCHG-CYBMUJFWSA-N 1 1 316.321 0.359 20 5 DCBDMO COCCC[N@@H+](C)CCNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000152327614 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320.349 0.910 20 5 DCBDMO COCC[N@H+]1CC[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000264478437 396283402 /nfs/dbraw/zinc/28/34/02/396283402.db2.gz HKORBMMSLYFOJN-GFCCVEGCSA-N 1 1 323.349 0.811 20 5 DCBDMO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000184384826 396293423 /nfs/dbraw/zinc/29/34/23/396293423.db2.gz NKKBWXHJMSKOGG-LLVKDONJSA-N 1 1 310.354 0.944 20 5 DCBDMO CC[N@@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283011317 396299121 /nfs/dbraw/zinc/29/91/21/396299121.db2.gz HDJTZVZEOPGUQM-UHFFFAOYSA-N 1 1 314.317 0.360 20 5 DCBDMO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C[N@H+]1C1CC1 ZINC000185281829 396323834 /nfs/dbraw/zinc/32/38/34/396323834.db2.gz STOFKFBYRYBCGK-BDAKNGLRSA-N 1 1 305.338 0.927 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CCC(N)=O ZINC000286418699 396394482 /nfs/dbraw/zinc/39/44/82/396394482.db2.gz KKFCMDZFJXWPOS-SECBINFHSA-N 1 1 324.337 0.738 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CCC(N)=O 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HMWXTWWJYRFLSO-JTQLQIEISA-N 1 1 322.369 0.216 20 5 DCBDMO CN1CCC([N@H+]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])n[nH]3)C2)CC1 ZINC000586779807 396665588 /nfs/dbraw/zinc/66/55/88/396665588.db2.gz HMWXTWWJYRFLSO-JTQLQIEISA-N 1 1 322.369 0.216 20 5 DCBDMO NC(=O)c1cc(N2CC[NH+]([C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000596167867 396726652 /nfs/dbraw/zinc/72/66/52/396726652.db2.gz OXWKRLSABONVAK-LBPRGKRZSA-N 1 1 320.349 0.605 20 5 DCBDMO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588860137 396695723 /nfs/dbraw/zinc/69/57/23/396695723.db2.gz DXSONEYXJHTPMU-UONOGXRCSA-N 1 1 319.361 0.805 20 5 DCBDMO O=c1[nH]ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000596053640 396712438 /nfs/dbraw/zinc/71/24/38/396712438.db2.gz OVVYYEYYKZZPEB-NSHDSACASA-N 1 1 308.338 0.996 20 5 DCBDMO C[N@@H+](CCCO)C1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596129209 396722178 /nfs/dbraw/zinc/72/21/78/396722178.db2.gz QKWSKJGXSGVBAU-UHFFFAOYSA-N 1 1 310.354 0.978 20 5 DCBDMO CCCc1[nH]nc(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000590386063 396766563 /nfs/dbraw/zinc/76/65/63/396766563.db2.gz UATWQEVNIGOBAV-UWVGGRQHSA-N 1 1 311.342 0.017 20 5 DCBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000600808126 396946624 /nfs/dbraw/zinc/94/66/24/396946624.db2.gz IYFABBWWGMNMQU-NSHDSACASA-N 1 1 309.322 0.400 20 5 DCBDMO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC(O)C1 ZINC000612740965 397132248 /nfs/dbraw/zinc/13/22/48/397132248.db2.gz COVPCYPALNHVJK-UHFFFAOYSA-N 1 1 305.334 0.939 20 5 DCBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC(O)C1 ZINC000612740965 397132251 /nfs/dbraw/zinc/13/22/51/397132251.db2.gz COVPCYPALNHVJK-UHFFFAOYSA-N 1 1 305.334 0.939 20 5 DCBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000378167553 397203817 /nfs/dbraw/zinc/20/38/17/397203817.db2.gz CBEOGNHYDIMPFQ-NEPJUHHUSA-N 1 1 322.369 0.717 20 5 DCBDMO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598562129 397249311 /nfs/dbraw/zinc/24/93/11/397249311.db2.gz ULNQFPOCUBMZLJ-LBPRGKRZSA-N 1 1 322.369 0.425 20 5 DCBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000601975473 397278550 /nfs/dbraw/zinc/27/85/50/397278550.db2.gz VNZPEJWMRHRNDA-SCRDCRAPSA-N 1 1 308.334 0.913 20 5 DCBDMO COc1cc(N2CCC[N@H+](CC(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000365256781 397254787 /nfs/dbraw/zinc/25/47/87/397254787.db2.gz QXQKUBJPMDWBJT-UHFFFAOYSA-N 1 1 308.338 0.601 20 5 DCBDMO COc1cc(N2CCC[N@@H+](CC(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000365256781 397254797 /nfs/dbraw/zinc/25/47/97/397254797.db2.gz QXQKUBJPMDWBJT-UHFFFAOYSA-N 1 1 308.338 0.601 20 5 DCBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593131807 397332496 /nfs/dbraw/zinc/33/24/96/397332496.db2.gz KJRSUGDOSUVFEE-CYBMUJFWSA-N 1 1 306.322 0.878 20 5 DCBDMO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593131807 397332507 /nfs/dbraw/zinc/33/25/07/397332507.db2.gz KJRSUGDOSUVFEE-CYBMUJFWSA-N 1 1 306.322 0.878 20 5 DCBDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000367583842 397404899 /nfs/dbraw/zinc/40/48/99/397404899.db2.gz GDRHZZNLBASSKP-CHWSQXEVSA-N 1 1 309.370 0.586 20 5 DCBDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000367583843 397405322 /nfs/dbraw/zinc/40/53/22/397405322.db2.gz GDRHZZNLBASSKP-OLZOCXBDSA-N 1 1 309.370 0.586 20 5 DCBDMO C[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](CO)C1 ZINC000602713747 397469241 /nfs/dbraw/zinc/46/92/41/397469241.db2.gz BKROTSODLSWASU-NSHDSACASA-N 1 1 306.322 0.844 20 5 DCBDMO C[N@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](CO)C1 ZINC000602713747 397469247 /nfs/dbraw/zinc/46/92/47/397469247.db2.gz BKROTSODLSWASU-NSHDSACASA-N 1 1 306.322 0.844 20 5 DCBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594204687 397513299 /nfs/dbraw/zinc/51/32/99/397513299.db2.gz WRAPIXARHQSROI-STQMWFEESA-N 1 1 307.354 0.924 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000602890190 397513888 /nfs/dbraw/zinc/51/38/88/397513888.db2.gz XJHLJHLQMAMCGV-NEPJUHHUSA-N 1 1 307.354 0.700 20 5 DCBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599937655 397545450 /nfs/dbraw/zinc/54/54/50/397545450.db2.gz HUKAUPDYFIYOPC-DGCLKSJQSA-N 1 1 321.333 0.582 20 5 DCBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000599937655 397545454 /nfs/dbraw/zinc/54/54/54/397545454.db2.gz HUKAUPDYFIYOPC-DGCLKSJQSA-N 1 1 321.333 0.582 20 5 DCBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106789637 158134007 /nfs/dbraw/zinc/13/40/07/158134007.db2.gz AGMLDUDMSKKGHL-LLVKDONJSA-N 1 1 307.354 0.924 20 5 DCBDMO O=C(NCCC[NH+]1CCOCC1)Nc1ccncc1[N+](=O)[O-] ZINC000124660818 158244912 /nfs/dbraw/zinc/24/49/12/158244912.db2.gz BFKFEFCJRBVAJD-UHFFFAOYSA-N 1 1 309.326 0.834 20 5 DCBDMO CC[C@@](C)([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(N)=O ZINC000133808438 158321532 /nfs/dbraw/zinc/32/15/32/158321532.db2.gz ZTLQMRFRRKLYCY-OAHLLOKOSA-N 1 1 320.349 0.728 20 5 DCBDMO Nc1ccc(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000320727501 159010808 /nfs/dbraw/zinc/01/08/08/159010808.db2.gz DQSZZFURJZPPAW-NEPJUHHUSA-N 1 1 320.349 0.770 20 5 DCBDMO NC(=O)C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000367308138 159330541 /nfs/dbraw/zinc/33/05/41/159330541.db2.gz NIGKXEAYXUPCPF-AAEUAGOBSA-N 1 1 323.349 0.532 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCOC[C@H](C3CCC3)C2)c1 ZINC000367822135 159357921 /nfs/dbraw/zinc/35/79/21/159357921.db2.gz KFWWXKFFVWAOKA-UKRRQHHQSA-N 1 1 324.381 0.901 20 5 DCBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000268199139 415175131 /nfs/dbraw/zinc/17/51/31/415175131.db2.gz ODXDIJWHMHBZGG-MFKMUULPSA-N 1 1 307.354 0.780 20 5 DCBDMO CCn1cc(S(=O)(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000353220628 415480630 /nfs/dbraw/zinc/48/06/30/415480630.db2.gz VFNQTVXQWIXSQL-IUCAKERBSA-N 1 1 317.371 0.182 20 5 DCBDMO C[C@@H](CN1CCOCC1)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000279699500 415522266 /nfs/dbraw/zinc/52/22/66/415522266.db2.gz IQBJKUDHSHLPFX-ZDUSSCGKSA-N 1 1 324.381 0.409 20 5 DCBDMO C[N@H+](CCNS(C)(=O)=O)CCc1ccccc1[N+](=O)[O-] ZINC000285263678 415610250 /nfs/dbraw/zinc/61/02/50/415610250.db2.gz IAWHVEZFYXFYQP-UHFFFAOYSA-N 1 1 301.368 0.618 20 5 DCBDMO C[N@@H+](CCNS(C)(=O)=O)CCc1ccccc1[N+](=O)[O-] ZINC000285263678 415610259 /nfs/dbraw/zinc/61/02/59/415610259.db2.gz IAWHVEZFYXFYQP-UHFFFAOYSA-N 1 1 301.368 0.618 20 5 DCBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356469628 415928524 /nfs/dbraw/zinc/92/85/24/415928524.db2.gz UYGZVUSJEXJMKD-VIFPVBQESA-N 1 1 306.326 0.899 20 5 DCBDMO CN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCC[N@@H+](C)C1 ZINC000153932538 415989670 /nfs/dbraw/zinc/98/96/70/415989670.db2.gz FFUSYONSQCKECC-NSHDSACASA-N 1 1 308.338 0.309 20 5 DCBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000337296485 415938328 /nfs/dbraw/zinc/93/83/28/415938328.db2.gz JNSSGGJMIQRUMK-GFCCVEGCSA-N 1 1 306.322 0.744 20 5 DCBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@](F)(CO)C2)c1 ZINC000338586263 416110969 /nfs/dbraw/zinc/11/09/69/416110969.db2.gz DZLLIBHMUDRBAW-GXTWGEPZSA-N 1 1 314.313 0.741 20 5 DCBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@](F)(CO)C2)c1 ZINC000338586263 416110974 /nfs/dbraw/zinc/11/09/74/416110974.db2.gz DZLLIBHMUDRBAW-GXTWGEPZSA-N 1 1 314.313 0.741 20 5 DCBDMO C[N@H+]1CC[C@@](O)(CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000358058245 416181653 /nfs/dbraw/zinc/18/16/53/416181653.db2.gz CIBJPNCYHREBPX-CQSZACIVSA-N 1 1 309.322 0.156 20 5 DCBDMO COc1cc(CNC[C@@]2(O)CC[N@@H+](C)C2)c([N+](=O)[O-])cc1O ZINC000358163215 416203981 /nfs/dbraw/zinc/20/39/81/416203981.db2.gz IRQLVUIOFBPXQZ-AWEZNQCLSA-N 1 1 311.338 0.465 20 5 DCBDMO C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@H+]1CC(C)(C)O ZINC000331288009 416301694 /nfs/dbraw/zinc/30/16/94/416301694.db2.gz IFTWCPJSCQBMPA-LLVKDONJSA-N 1 1 311.386 0.605 20 5 DCBDMO CC[N@@H+](CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000263661911 416338768 /nfs/dbraw/zinc/33/87/68/416338768.db2.gz AWVDYZQWFAXROD-UHFFFAOYSA-N 1 1 308.338 0.357 20 5 DCBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000458555544 416481121 /nfs/dbraw/zinc/48/11/21/416481121.db2.gz JCQIWAVXEWFTQT-GFCCVEGCSA-N 1 1 324.385 0.915 20 5 DCBDMO CNc1nccc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000582190033 416448171 /nfs/dbraw/zinc/44/81/71/416448171.db2.gz IFWGGBBQAQNSLP-SNVBAGLBSA-N 1 1 319.365 1.246 20 5 DCBDMO CNc1nccc(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000582429034 416454469 /nfs/dbraw/zinc/45/44/69/416454469.db2.gz HXNBWTDZFUPVMU-LLVKDONJSA-N 1 1 321.381 1.492 20 5 DCBDMO Cn1ccnc1[C@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000536068895 416536874 /nfs/dbraw/zinc/53/68/74/416536874.db2.gz PZSHCYJOAORYQQ-WCQYABFASA-N 1 1 320.353 0.375 20 5 DCBDMO CC[N@@H+]1CCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])C[C@H]1C ZINC000594329619 416560075 /nfs/dbraw/zinc/56/00/75/416560075.db2.gz NTIKRTRDFSIOAN-SNVBAGLBSA-N 1 1 307.354 1.198 20 5 DCBDMO CC[N@H+]1CCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])C[C@H]1C ZINC000594329619 416560080 /nfs/dbraw/zinc/56/00/80/416560080.db2.gz NTIKRTRDFSIOAN-SNVBAGLBSA-N 1 1 307.354 1.198 20 5 DCBDMO CNc1nccc(C(=O)NCC[N@@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000594351514 416560421 /nfs/dbraw/zinc/56/04/21/416560421.db2.gz JMQMJKSLXSKAFB-UHFFFAOYSA-N 1 1 305.338 1.023 20 5 DCBDMO O=C(NC[C@H]1C[NH2+]CCO1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423997242 416602167 /nfs/dbraw/zinc/60/21/67/416602167.db2.gz XYVFQTOARHPIBG-SECBINFHSA-N 1 1 305.294 0.189 20 5 DCBDMO C[C@@H]1C[C@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000548092004 416685059 /nfs/dbraw/zinc/68/50/59/416685059.db2.gz USXOBNPOJAUOPD-BDAKNGLRSA-N 1 1 305.338 0.927 20 5 DCBDMO NC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CC[NH2+]1 ZINC000368677669 416681442 /nfs/dbraw/zinc/68/14/42/416681442.db2.gz KBOMPWVZOBTMAQ-LLVKDONJSA-N 1 1 301.306 0.407 20 5 DCBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000441382519 416670310 /nfs/dbraw/zinc/67/03/10/416670310.db2.gz RWOSITSOADQVQQ-YGRLFVJLSA-N 1 1 320.349 0.956 20 5 DCBDMO CC(C)[N@@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000520901774 416983485 /nfs/dbraw/zinc/98/34/85/416983485.db2.gz FOKMHSCAMIWKQL-UHFFFAOYSA-N 1 1 321.381 0.979 20 5 DCBDMO C[N@H+]1CCC[C@@H](CCNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000413431068 417234537 /nfs/dbraw/zinc/23/45/37/417234537.db2.gz ALCWNVLKPSKUDA-JTQLQIEISA-N 1 1 307.354 1.233 20 5 DCBDMO C[N@H+]1CCC[C@H](CCNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000413431073 417234833 /nfs/dbraw/zinc/23/48/33/417234833.db2.gz ALCWNVLKPSKUDA-SNVBAGLBSA-N 1 1 307.354 1.233 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000451628096 417369745 /nfs/dbraw/zinc/36/97/45/417369745.db2.gz OZZPKZRCBQZPMD-XPKDYRNWSA-N 1 1 321.377 0.970 20 5 DCBDMO CN1CC[C@@H]2C[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000451628096 417369748 /nfs/dbraw/zinc/36/97/48/417369748.db2.gz OZZPKZRCBQZPMD-XPKDYRNWSA-N 1 1 321.377 0.970 20 5 DCBDMO CN1CC[C@@H]2C[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000451628096 417369754 /nfs/dbraw/zinc/36/97/54/417369754.db2.gz OZZPKZRCBQZPMD-XPKDYRNWSA-N 1 1 321.377 0.970 20 5 DCBDMO C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@@H]1C[N@H+](C)CCO1 ZINC000301985183 230020911 /nfs/dbraw/zinc/02/09/11/230020911.db2.gz YXSIDPQCYDGURS-UWVGGRQHSA-N 1 1 306.326 0.769 20 5 DCBDMO C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@@H]1C[N@@H+](C)CCO1 ZINC000301985183 230020914 /nfs/dbraw/zinc/02/09/14/230020914.db2.gz YXSIDPQCYDGURS-UWVGGRQHSA-N 1 1 306.326 0.769 20 5 DCBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc([N+](=O)[O-])nn3C)[C@H]2C1 ZINC000355317039 261329858 /nfs/dbraw/zinc/32/98/58/261329858.db2.gz KFTXCWBLBXEFOP-RYUDHWBXSA-N 1 1 323.353 0.264 20 5 DCBDMO CC1=CC[N@H+](CCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC000355332550 261332267 /nfs/dbraw/zinc/33/22/67/261332267.db2.gz IPSVMSNVSFMTMW-UHFFFAOYSA-N 1 1 320.349 0.525 20 5 DCBDMO CC1=CC[N@@H+](CCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC000355332550 261332270 /nfs/dbraw/zinc/33/22/70/261332270.db2.gz IPSVMSNVSFMTMW-UHFFFAOYSA-N 1 1 320.349 0.525 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1CN1CCC([N@@H+](C)CCCO)CC1 ZINC000355331377 261332299 /nfs/dbraw/zinc/33/22/99/261332299.db2.gz DQVDVXDCLPGFJJ-UHFFFAOYSA-N 1 1 311.386 0.607 20 5 DCBDMO O=C1CNCCN1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000362686166 262060672 /nfs/dbraw/zinc/06/06/72/262060672.db2.gz UMWHDUDYCSQVLQ-OAHLLOKOSA-N 1 1 318.377 0.991 20 5 DCBDMO CNc1ccc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000390003525 262160428 /nfs/dbraw/zinc/16/04/28/262160428.db2.gz KUIOCMJNYYVZNA-GFCCVEGCSA-N 1 1 321.381 0.612 20 5 DCBDMO Cc1nn(C)c(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000363693383 271199230 /nfs/dbraw/zinc/19/92/30/271199230.db2.gz POKTYFCOQQWNGU-NSHDSACASA-N 1 1 307.354 0.947 20 5 DCBDMO CNC(=O)C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000434677402 271539010 /nfs/dbraw/zinc/53/90/10/271539010.db2.gz XVRPTTBWHUDIPX-UHFFFAOYSA-N 1 1 324.337 0.610 20 5 DCBDMO CO[C@@H]1COC[C@@H]1[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000459787432 272008788 /nfs/dbraw/zinc/00/87/88/272008788.db2.gz CMCIGXMRMXJUNX-CMPLNLGQSA-N 1 1 309.322 0.845 20 5 DCBDMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000471776219 272030573 /nfs/dbraw/zinc/03/05/73/272030573.db2.gz WUNPUHRIQBYQDF-SNVBAGLBSA-N 1 1 324.337 0.632 20 5 DCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491799796 272105633 /nfs/dbraw/zinc/10/56/33/272105633.db2.gz WMXSVSDAJHMCGQ-DANTVBBOSA-N 1 1 318.377 0.970 20 5 DCBDMO C[N@H+]1CCC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000517456973 272468404 /nfs/dbraw/zinc/46/84/04/272468404.db2.gz FFNCFUCYKKRDDX-NSHDSACASA-N 1 1 308.338 0.215 20 5 DCBDMO CC(C)OC[C@H](O)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298212229 273541411 /nfs/dbraw/zinc/54/14/11/273541411.db2.gz ZDECRFYIBQOIIK-CYBMUJFWSA-N 1 1 324.381 0.898 20 5 DCBDMO CC(C)[N@@H+](C)CCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000548369800 288136591 /nfs/dbraw/zinc/13/65/91/288136591.db2.gz VZXATMMQJVHDAX-UHFFFAOYSA-N 1 1 302.356 0.608 20 5 DCBDMO C[N@@H+](CCCO)C1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000548417056 288140949 /nfs/dbraw/zinc/14/09/49/288140949.db2.gz NYYXCVXSGNYJKM-UHFFFAOYSA-N 1 1 311.342 0.237 20 5 DCBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000261715159 303008639 /nfs/dbraw/zinc/00/86/39/303008639.db2.gz KYFKPRHQWDVJHW-LLVKDONJSA-N 1 1 304.310 0.443 20 5 DCBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNc2ncc([N+](=O)[O-])cn2)C1 ZINC000302137029 534426144 /nfs/dbraw/zinc/42/61/44/534426144.db2.gz BRFGOZOIENPFLY-SNVBAGLBSA-N 1 1 308.342 0.384 20 5 DCBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246839590 527312439 /nfs/dbraw/zinc/31/24/39/527312439.db2.gz UFYJLMKJCALOSY-QWRGUYRKSA-N 1 1 322.365 0.825 20 5 DCBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246839590 527312441 /nfs/dbraw/zinc/31/24/41/527312441.db2.gz UFYJLMKJCALOSY-QWRGUYRKSA-N 1 1 322.365 0.825 20 5 DCBDMO Cc1n[nH]c(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000725895550 659260582 /nfs/dbraw/zinc/26/05/82/659260582.db2.gz HACDOXUYLVYAGB-UWVGGRQHSA-N 1 1 309.326 0.219 20 5 DCBDMO COCC(COC)[NH+]1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000894180954 661645870 /nfs/dbraw/zinc/64/58/70/661645870.db2.gz IJLWTRXJJJPKTO-UHFFFAOYSA-N 1 1 313.358 0.112 20 5 DCBDMO Cc1nc(N(C)CC(=O)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000894959533 662037044 /nfs/dbraw/zinc/03/70/44/662037044.db2.gz XLRJYNLFGNJUPV-UHFFFAOYSA-N 1 1 307.354 0.508 20 5 DCBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000896577844 662294935 /nfs/dbraw/zinc/29/49/35/662294935.db2.gz SMCPEMZJWRJCFS-FZMZJTMJSA-N 1 1 321.381 0.662 20 5 DCBDMO C[N@@H+](CCO)CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000899726492 663182437 /nfs/dbraw/zinc/18/24/37/663182437.db2.gz ODXDXDZTYIMWTH-UHFFFAOYSA-N 1 1 301.730 0.902 20 5 DCBDMO CSc1ccc(C(=O)NCC[N@@H+](C)CCO)cc1[N+](=O)[O-] ZINC000899726540 663182487 /nfs/dbraw/zinc/18/24/87/663182487.db2.gz PGHOYJHYKZMKCB-UHFFFAOYSA-N 1 1 313.379 0.971 20 5 DCBDMO CN(CC(=O)N1CC[N@H+](C)C[C@@H]1CO)c1ccccc1[N+](=O)[O-] ZINC000912743093 664218561 /nfs/dbraw/zinc/21/85/61/664218561.db2.gz OZVUEZHOBAATGF-GFCCVEGCSA-N 1 1 322.365 0.166 20 5 DCBDMO CN(CC(=O)N1CC[N@@H+](C)C[C@@H]1CO)c1ccccc1[N+](=O)[O-] ZINC000912743093 664218562 /nfs/dbraw/zinc/21/85/62/664218562.db2.gz OZVUEZHOBAATGF-GFCCVEGCSA-N 1 1 322.365 0.166 20 5 DCBDMO CCn1cc(CC[NH+]2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC001031663054 665274393 /nfs/dbraw/zinc/27/43/93/665274393.db2.gz PXFLUQQQVXKCNT-ZIAGYGMSSA-N 1 1 321.381 0.159 20 5 DCBDMO CO[C@@H]1C[N@@H+](C)[C@](C)(COC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000861349319 666920619 /nfs/dbraw/zinc/92/06/19/666920619.db2.gz RXELYKCYTNANGA-ZANVPECISA-N 1 1 312.326 0.594 20 5 DCBDMO Cc1ccc(C(=O)NC2CC[NH+](CC(N)=O)CC2)cc1[N+](=O)[O-] ZINC000196447003 667326920 /nfs/dbraw/zinc/32/69/20/667326920.db2.gz LWHINAFPLHVSCZ-UHFFFAOYSA-N 1 1 320.349 0.583 20 5 DCBDMO CC[N@@H+](CCO)CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867462766 667405768 /nfs/dbraw/zinc/40/57/68/667405768.db2.gz UZROSQXWFJJHAR-UHFFFAOYSA-N 1 1 313.329 0.707 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000923428785 667531578 /nfs/dbraw/zinc/53/15/78/667531578.db2.gz RFWVQJMLASWNQK-LSDHHAIUSA-N 1 1 323.397 0.618 20 5 DCBDMO C[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000134982721 667561100 /nfs/dbraw/zinc/56/11/00/667561100.db2.gz USNGGAWJHKBLRJ-ZANVPECISA-N 1 1 308.338 0.626 20 5 DCBDMO C[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000134982721 667561104 /nfs/dbraw/zinc/56/11/04/667561104.db2.gz USNGGAWJHKBLRJ-ZANVPECISA-N 1 1 308.338 0.626 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000747232256 667898088 /nfs/dbraw/zinc/89/80/88/667898088.db2.gz VLICREXRJNZNHZ-PWSUYJOCSA-N 1 1 308.338 0.526 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889779258 667996539 /nfs/dbraw/zinc/99/65/39/667996539.db2.gz DJCGPFMQECHKSA-QWHCGFSZSA-N 1 1 322.365 0.605 20 5 DCBDMO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839707346 668135686 /nfs/dbraw/zinc/13/56/86/668135686.db2.gz SYFMGFQGHJJVEM-RQJABVFESA-N 1 1 311.382 0.536 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000874843078 668226208 /nfs/dbraw/zinc/22/62/08/668226208.db2.gz LOXJSOWMYJTXKB-RYUDHWBXSA-N 1 1 307.354 0.795 20 5 DCBDMO CO[C@@H]1CC(=O)N(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000782860093 669126162 /nfs/dbraw/zinc/12/61/62/669126162.db2.gz MLMMUULBXLHLJU-GFCCVEGCSA-N 1 1 323.353 0.633 20 5 DCBDMO CN1C[C@]2(C)C[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@]2(C)C1 ZINC000931309638 669176704 /nfs/dbraw/zinc/17/67/04/669176704.db2.gz FFJORIVZQXHPPC-RRFJBIMHSA-N 1 1 323.397 0.426 20 5 DCBDMO C[C@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000783910200 669180033 /nfs/dbraw/zinc/18/00/33/669180033.db2.gz DBBYKPQLJOVILM-QWHCGFSZSA-N 1 1 309.366 0.970 20 5 DCBDMO C[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000783910200 669180038 /nfs/dbraw/zinc/18/00/38/669180038.db2.gz DBBYKPQLJOVILM-QWHCGFSZSA-N 1 1 309.366 0.970 20 5 DCBDMO C[C@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000783910200 669180044 /nfs/dbraw/zinc/18/00/44/669180044.db2.gz DBBYKPQLJOVILM-QWHCGFSZSA-N 1 1 309.366 0.970 20 5 DCBDMO C[N@H+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000931400483 669190841 /nfs/dbraw/zinc/19/08/41/669190841.db2.gz ZRATUOLKZDWOGJ-GFCCVEGCSA-N 1 1 322.365 0.532 20 5 DCBDMO CN1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000931400483 669190842 /nfs/dbraw/zinc/19/08/42/669190842.db2.gz ZRATUOLKZDWOGJ-GFCCVEGCSA-N 1 1 322.365 0.532 20 5 DCBDMO CN1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000931400483 669190843 /nfs/dbraw/zinc/19/08/43/669190843.db2.gz ZRATUOLKZDWOGJ-GFCCVEGCSA-N 1 1 322.365 0.532 20 5 DCBDMO C[C@]12CSC[C@H]1C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000934776691 669639066 /nfs/dbraw/zinc/63/90/66/669639066.db2.gz HVKRYZQALRFGTN-WXHSDQCUSA-N 1 1 312.395 0.837 20 5 DCBDMO O=[N+]([O-])c1cccc([C@H](O)CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000847044885 670513123 /nfs/dbraw/zinc/51/31/23/670513123.db2.gz PAPQLOKKDUQYSB-RRFJBIMHSA-N 1 1 307.350 0.379 20 5 DCBDMO NC(=O)c1ccnc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000811782105 670548480 /nfs/dbraw/zinc/54/84/80/670548480.db2.gz GMROMKFQUVJJIQ-NXEZZACHSA-N 1 1 321.337 0.364 20 5 DCBDMO C[C@H](NCC(=O)N1CC[NH2+]CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817945561 670955904 /nfs/dbraw/zinc/95/59/04/670955904.db2.gz GIIQJKIGYIMBSF-JTQLQIEISA-N 1 1 307.354 0.259 20 5 DCBDMO O=C1CC[C@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)O1 ZINC000851715753 671019307 /nfs/dbraw/zinc/01/93/07/671019307.db2.gz ALCIBGXOKIQSDL-GFCCVEGCSA-N 1 1 306.322 0.817 20 5 DCBDMO Cc1nn(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000853555553 671243303 /nfs/dbraw/zinc/24/33/03/671243303.db2.gz KZRRUKWXDIFBQD-VXGBXAGGSA-N 1 1 307.354 0.966 20 5 DCBDMO Cc1nn(C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000853555553 671243305 /nfs/dbraw/zinc/24/33/05/671243305.db2.gz KZRRUKWXDIFBQD-VXGBXAGGSA-N 1 1 307.354 0.966 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000828512604 671554775 /nfs/dbraw/zinc/55/47/75/671554775.db2.gz WOELPRWHNSCBPW-VXGBXAGGSA-N 1 1 307.354 0.652 20 5 DCBDMO CC[N@@H+](CCO)CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000829551636 671579446 /nfs/dbraw/zinc/57/94/46/671579446.db2.gz MVBMUIRUSJXNLZ-CYBMUJFWSA-N 1 1 311.338 0.059 20 5 DCBDMO C[C@@H]1C[N@@H+](CCO)CCN1c1ccc([N+](=O)[O-])c2nonc21 ZINC000829577997 671580323 /nfs/dbraw/zinc/58/03/23/671580323.db2.gz UDPKZZKTRIQAAK-SECBINFHSA-N 1 1 307.310 0.634 20 5 DCBDMO C[N@H+]1CCN(CCNC(=O)CCC(C)(C)[N+](=O)[O-])CC1(C)C ZINC000831243849 671660732 /nfs/dbraw/zinc/66/07/32/671660732.db2.gz YGODSENLBONGNE-UHFFFAOYSA-N 1 1 314.430 0.964 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000867418018 672309452 /nfs/dbraw/zinc/30/94/52/672309452.db2.gz PRCHKUJGIWOBPC-AWEZNQCLSA-N 1 1 311.313 0.459 20 5 DCBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC001625831283 1157385031 /nfs/dbraw/zinc/38/50/31/1157385031.db2.gz ACEWHAFGUNNYNS-VHSXEESVSA-N 1 1 323.353 0.099 20 5 DCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC001625831283 1157385035 /nfs/dbraw/zinc/38/50/35/1157385035.db2.gz ACEWHAFGUNNYNS-VHSXEESVSA-N 1 1 323.353 0.099 20 5 DCBDMO C[N@H+](CCCNC(=O)CC(N)=O)Cc1csc([N+](=O)[O-])c1 ZINC001566440153 1159975798 /nfs/dbraw/zinc/97/57/98/1159975798.db2.gz DXTWTULWBNUSDU-UHFFFAOYSA-N 1 1 314.367 0.470 20 5 DCBDMO C[N@@H+](CCCNC(=O)CC(N)=O)Cc1csc([N+](=O)[O-])c1 ZINC001566440153 1159975802 /nfs/dbraw/zinc/97/58/02/1159975802.db2.gz DXTWTULWBNUSDU-UHFFFAOYSA-N 1 1 314.367 0.470 20 5 DCBDMO CN(C[C@@H]1COCCO1)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001578458941 1165023129 /nfs/dbraw/zinc/02/31/29/1165023129.db2.gz CUWXUQXEDHMPRD-HIFRSBDPSA-N 1 1 323.349 0.643 20 5 DCBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CC2(C[NH2+]C2)C(=O)O1 ZINC001578480195 1165032588 /nfs/dbraw/zinc/03/25/88/1165032588.db2.gz AFKDVNXPSXVNRM-CYBMUJFWSA-N 1 1 319.361 0.974 20 5 DCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC001582803441 1166086869 /nfs/dbraw/zinc/08/68/69/1166086869.db2.gz HQNCVNJVUYIHCN-SMDDNHRTSA-N 1 1 316.321 0.732 20 5 DCBDMO O=[N+]([O-])CC[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001593467132 1167858794 /nfs/dbraw/zinc/85/87/94/1167858794.db2.gz SWUFXNXDWBFJLI-UHFFFAOYSA-N 1 1 318.337 0.987 20 5 DCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NCC[N@@H+]1CC[C@@H](O)C1 ZINC001607079024 1170381703 /nfs/dbraw/zinc/38/17/03/1170381703.db2.gz FIAWBCCZDFJVRH-SNVBAGLBSA-N 1 1 319.325 0.253 20 5 DCBDMO C[C@@H]1C[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC[C@H]1O ZINC001609172882 1170840503 /nfs/dbraw/zinc/84/05/03/1170840503.db2.gz BCERFRYXTVVLJI-NOZJJQNGSA-N 1 1 318.337 0.978 20 5 DCBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001632104381 1171612198 /nfs/dbraw/zinc/61/21/98/1171612198.db2.gz RZZAMUJUEKDNBJ-LLVKDONJSA-N 1 1 322.365 0.706 20 5 DCBDMO C[C@@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC001633829583 1171654586 /nfs/dbraw/zinc/65/45/86/1171654586.db2.gz MXFOJNRFAWXLSH-LLVKDONJSA-N 1 1 320.349 0.523 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)n1 ZINC001640853035 1171894338 /nfs/dbraw/zinc/89/43/38/1171894338.db2.gz IUJGUTXMHSBKDL-TXEJJXNPSA-N 1 1 322.365 0.825 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)n1 ZINC001640853035 1171894342 /nfs/dbraw/zinc/89/43/42/1171894342.db2.gz IUJGUTXMHSBKDL-TXEJJXNPSA-N 1 1 322.365 0.825 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001645434755 1172043693 /nfs/dbraw/zinc/04/36/93/1172043693.db2.gz HRMRANRRPCOXTG-MNOVXSKESA-N 1 1 309.326 0.530 20 5 DCBDMO Cc1ccc(NCCNC(=O)Cn2ccc([N+](=O)[O-])n2)[nH+]c1 ZINC001652428704 1173769790 /nfs/dbraw/zinc/76/97/90/1173769790.db2.gz KGQGESZPWPNNDO-UHFFFAOYSA-N 1 1 304.310 0.723 20 5 DCBDMO CN(C(=O)C[N@@H+]1C[C@@H](O)C[C@@]1(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC001654290837 1173803665 /nfs/dbraw/zinc/80/36/65/1173803665.db2.gz DECAECRXWIKCGD-ZFWWWQNUSA-N 1 1 323.349 0.375 20 5 DCBDMO CN(C(=O)C[N@H+]1C[C@@H](O)C[C@@]1(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC001654290837 1173803667 /nfs/dbraw/zinc/80/36/67/1173803667.db2.gz DECAECRXWIKCGD-ZFWWWQNUSA-N 1 1 323.349 0.375 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC001654517600 1173806980 /nfs/dbraw/zinc/80/69/80/1173806980.db2.gz LEQZEKKWFAMXED-BARDWOONSA-N 1 1 324.381 0.778 20 5 DCBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2C[C@H](CO)[C@@H](CCO)C2)c1 ZINC001656540355 1173867553 /nfs/dbraw/zinc/86/75/53/1173867553.db2.gz IMRVCUDHIPZQMG-QWHCGFSZSA-N 1 1 310.350 0.896 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2[C@H](CO)CC[C@H]2CO)c1 ZINC001659189333 1173931430 /nfs/dbraw/zinc/93/14/30/1173931430.db2.gz BCIHBRADUPHHNX-STQMWFEESA-N 1 1 324.333 0.699 20 5 DCBDMO CC(C)=CC[NH2+]CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001673727680 1175229176 /nfs/dbraw/zinc/22/91/76/1175229176.db2.gz KHGYVIAMDJAICV-CHWSQXEVSA-N 1 1 311.382 0.873 20 5 DCBDMO C[N@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC001680737333 1175845520 /nfs/dbraw/zinc/84/55/20/1175845520.db2.gz NVYYWFDOAWEFBH-UHFFFAOYSA-N 1 1 321.337 0.863 20 5 DCBDMO Cc1cnc(C[NH2+]CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001699507441 1178171627 /nfs/dbraw/zinc/17/16/27/1178171627.db2.gz YUQGMHRFXLHWGF-CHWSQXEVSA-N 1 1 307.354 0.388 20 5 DCBDMO CCC[N@@H+](CCNC(=O)C(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001713549018 1180915435 /nfs/dbraw/zinc/91/54/35/1180915435.db2.gz DEAFYPCEPZYVOM-UHFFFAOYSA-N 1 1 308.338 0.408 20 5 DCBDMO O=C(NCC=CC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cnn[nH]1 ZINC001716314704 1182325477 /nfs/dbraw/zinc/32/54/77/1182325477.db2.gz PEVMRBMQORPXHY-OWOJBTEDSA-N 1 1 316.321 0.789 20 5 DCBDMO O=C(NCC=CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cnn[nH]1 ZINC001732872519 1186029057 /nfs/dbraw/zinc/02/90/57/1186029057.db2.gz FODSNKNYGMDPKN-OWOJBTEDSA-N 1 1 316.321 0.789 20 5 DCBDMO Nc1cc([N+](=O)[O-])cnc1N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967801 722074798 /nfs/dbraw/zinc/07/47/98/722074798.db2.gz XBNXVCNXASRUIP-BETUJISGSA-N 1 1 319.365 0.871 20 5 DCBDMO CCSCCC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001124130858 751514695 /nfs/dbraw/zinc/51/46/95/751514695.db2.gz VXTQIFRZCYRMIA-UHFFFAOYSA-N 1 1 315.399 0.677 20 5 DCBDMO COc1ccc(C[C@@H](C)[NH2+]C2CS(=O)(=O)C2)c([N+](=O)[O-])c1 ZINC001170299173 762595897 /nfs/dbraw/zinc/59/58/97/762595897.db2.gz RNNXINRUANFHCM-SECBINFHSA-N 1 1 314.363 0.921 20 5 DCBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000828725300 759083536 /nfs/dbraw/zinc/08/35/36/759083536.db2.gz STHYOSUUWSDIOJ-BXUZGUMPSA-N 1 1 322.365 0.530 20 5 DCBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000828725300 759083545 /nfs/dbraw/zinc/08/35/45/759083545.db2.gz STHYOSUUWSDIOJ-BXUZGUMPSA-N 1 1 322.365 0.530 20 5 DCBDMO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cccnc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086082863 759691078 /nfs/dbraw/zinc/69/10/78/759691078.db2.gz GBSXDHKPVFWHLW-XJFOESAGSA-N 1 1 304.350 0.731 20 5 DCBDMO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cncs2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363280 760100999 /nfs/dbraw/zinc/10/09/99/760100999.db2.gz LROCBIIPOMOAQG-CNVPUSNMSA-N 1 1 310.379 0.793 20 5 DCBDMO CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)O1 ZINC001169018955 760559248 /nfs/dbraw/zinc/55/92/48/760559248.db2.gz FRTHXUIETCMLNB-MRTXSQPYSA-N 1 1 311.382 0.752 20 5 DCBDMO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001116633892 765890672 /nfs/dbraw/zinc/89/06/72/765890672.db2.gz LSCQRYKTBZWYER-NSHDSACASA-N 1 1 324.385 0.084 20 5 DCBDMO Cc1[nH]nc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)c1C ZINC001125061591 768348536 /nfs/dbraw/zinc/34/85/36/768348536.db2.gz FSZRFXIOUWFHDI-UHFFFAOYSA-N 1 1 321.341 0.188 20 5 DCBDMO Cc1nnc([C@@H]2CC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)[nH]1 ZINC001171217236 767020632 /nfs/dbraw/zinc/02/06/32/767020632.db2.gz OMNOKEQARICQHV-PWSUYJOCSA-N 1 1 321.341 0.068 20 5 DCBDMO Cc1n[nH]c([C@@H]2CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC001171217236 767020639 /nfs/dbraw/zinc/02/06/39/767020639.db2.gz OMNOKEQARICQHV-PWSUYJOCSA-N 1 1 321.341 0.068 20 5 DCBDMO Cc1n[nH]c([C@@H]2CC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC001171217236 767020650 /nfs/dbraw/zinc/02/06/50/767020650.db2.gz OMNOKEQARICQHV-PWSUYJOCSA-N 1 1 321.341 0.068 20 5 DCBDMO Cc1nc([C@@H]2CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC001171217236 767020659 /nfs/dbraw/zinc/02/06/59/767020659.db2.gz OMNOKEQARICQHV-PWSUYJOCSA-N 1 1 321.341 0.068 20 5 DCBDMO Cc1nc([C@@H]2CC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC001171217236 767020671 /nfs/dbraw/zinc/02/06/71/767020671.db2.gz OMNOKEQARICQHV-PWSUYJOCSA-N 1 1 321.341 0.068 20 5 DCBDMO CCn1c(C[N+](=O)[O-])nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001121791234 767636232 /nfs/dbraw/zinc/63/62/32/767636232.db2.gz DXMKTHFZUUHMCA-LBPRGKRZSA-N 1 1 324.385 0.376 20 5 DCBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)C[C@H](O)CO)c1F ZINC001173186283 769556312 /nfs/dbraw/zinc/55/63/12/769556312.db2.gz PKWQHLSGVFTHAQ-UWVGGRQHSA-N 1 1 316.329 0.959 20 5 DCBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc([N+](=O)[O-])cnc1N ZINC001155156192 770417635 /nfs/dbraw/zinc/41/76/35/770417635.db2.gz WLTLXQHYJQRTTR-VHSXEESVSA-N 1 1 305.338 0.881 20 5 DCBDMO Cn1cnnc1C[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178458507 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321.381 0.461 20 5 DCBDMO CC(C)(CCC(=O)NC[C@H]1CCC[N@H+]1CCCO)[N+](=O)[O-] ZINC001324523869 947447933 /nfs/dbraw/zinc/44/79/33/947447933.db2.gz OZVNJDCGHZXIHQ-GFCCVEGCSA-N 1 1 301.387 0.785 20 5 DCBDMO CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CCOCC1 ZINC001490324528 950574276 /nfs/dbraw/zinc/57/42/76/950574276.db2.gz IIDVZFKHZBTLRG-ZIAGYGMSSA-N 1 1 313.398 0.906 20 5 DCBDMO CC[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CCOCC1 ZINC001490324528 950574291 /nfs/dbraw/zinc/57/42/91/950574291.db2.gz IIDVZFKHZBTLRG-ZIAGYGMSSA-N 1 1 313.398 0.906 20 5 DCBDMO CC[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CCOCC1 ZINC001490324528 950574307 /nfs/dbraw/zinc/57/43/07/950574307.db2.gz IIDVZFKHZBTLRG-ZIAGYGMSSA-N 1 1 313.398 0.906 20 5 DCBDMO C[C@H]1CN(c2nnc(C[N+](=O)[O-])n2C)CC[N@H+](C2CCC2)C1 ZINC001338061379 952956977 /nfs/dbraw/zinc/95/69/77/952956977.db2.gz ZVPSMIBNMOEOOD-LLVKDONJSA-N 1 1 308.386 0.902 20 5 DCBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(C[N+](=O)[O-])n1C ZINC001339663303 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DCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000264816847 204179936 /nfs/dbraw/zinc/17/99/36/204179936.db2.gz ZCPAIEASYIGYHW-LBPRGKRZSA-N 1 1 321.381 0.369 20 5 DCBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000106401546 194208449 /nfs/dbraw/zinc/20/84/49/194208449.db2.gz DRYPLYJAZXVWGQ-UHFFFAOYSA-N 1 1 322.365 0.827 20 5 DCBDMO C[C@H]1C[C@H](O)C[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000340926534 253324045 /nfs/dbraw/zinc/32/40/45/253324045.db2.gz JPJHCWHZJJNWAG-GWCFXTLKSA-N 1 1 305.334 0.939 20 5 DCBDMO C[C@H]1C[C@H](O)C[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000340926534 253324047 /nfs/dbraw/zinc/32/40/47/253324047.db2.gz JPJHCWHZJJNWAG-GWCFXTLKSA-N 1 1 305.334 0.939 20 5 DCBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH2+]CC2)c2ncccc12 ZINC000193228473 285138061 /nfs/dbraw/zinc/13/80/61/285138061.db2.gz GSGORIUBHLBKQV-UHFFFAOYSA-N 1 1 322.346 0.737 20 5 DCBDMO CC(C)[N@H+]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC000343266694 253625383 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324.337 0.738 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CCC(N)=O ZINC000286418701 396394605 /nfs/dbraw/zinc/39/46/05/396394605.db2.gz KKFCMDZFJXWPOS-VIFPVBQESA-N 1 1 324.337 0.738 20 5 DCBDMO C[N@H+](CCC(N)=O)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000286450450 396396286 /nfs/dbraw/zinc/39/62/86/396396286.db2.gz MJNMECABBJWKGX-UHFFFAOYSA-N 1 1 314.729 0.994 20 5 DCBDMO C[N@@H+](CCC(N)=O)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000286450450 396396289 /nfs/dbraw/zinc/39/62/89/396396289.db2.gz MJNMECABBJWKGX-UHFFFAOYSA-N 1 1 314.729 0.994 20 5 DCBDMO Cc1ccc(NCCCNC(=O)[C@H]([NH3+])CC(N)=O)c([N+](=O)[O-])c1 ZINC000269629982 396431196 /nfs/dbraw/zinc/43/11/96/396431196.db2.gz PFABPQVNGCVJRK-SNVBAGLBSA-N 1 1 323.353 0.024 20 5 DCBDMO C[C@H](O)C[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000291235898 396481528 /nfs/dbraw/zinc/48/15/28/396481528.db2.gz MRDNAHGAMIKLRC-QMMMGPOBSA-N 1 1 311.294 0.575 20 5 DCBDMO C[C@H](O)C[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000291235898 396481530 /nfs/dbraw/zinc/48/15/30/396481530.db2.gz MRDNAHGAMIKLRC-QMMMGPOBSA-N 1 1 311.294 0.575 20 5 DCBDMO O=C(CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CC[NH2+]CC1 ZINC000581245804 396536684 /nfs/dbraw/zinc/53/66/84/396536684.db2.gz YNUYRRFNZVJEHQ-OAHLLOKOSA-N 1 1 318.377 0.994 20 5 DCBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCc3c[nH]nn3)C2)nc1 ZINC000595374502 396597655 /nfs/dbraw/zinc/59/76/55/396597655.db2.gz CXMWXESMOPNESO-LLVKDONJSA-N 1 1 303.326 0.837 20 5 DCBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCc3cn[nH]n3)C2)nc1 ZINC000595374502 396597658 /nfs/dbraw/zinc/59/76/58/396597658.db2.gz CXMWXESMOPNESO-LLVKDONJSA-N 1 1 303.326 0.837 20 5 DCBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588862530 396695653 /nfs/dbraw/zinc/69/56/53/396695653.db2.gz DGFCYAILJCNCAJ-CABCVRRESA-N 1 1 319.361 0.805 20 5 DCBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588860770 396695839 /nfs/dbraw/zinc/69/58/39/396695839.db2.gz LGNNASHSUNDVQG-CABCVRRESA-N 1 1 319.361 0.805 20 5 DCBDMO C[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@H]1C[N@H+](C)CCO1 ZINC000596168785 396727220 /nfs/dbraw/zinc/72/72/20/396727220.db2.gz XJDDEEDJQWXQTP-NOZJJQNGSA-N 1 1 308.338 0.825 20 5 DCBDMO C[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000596168785 396727223 /nfs/dbraw/zinc/72/72/23/396727223.db2.gz XJDDEEDJQWXQTP-NOZJJQNGSA-N 1 1 308.338 0.825 20 5 DCBDMO O=CN1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000294210798 396660536 /nfs/dbraw/zinc/66/05/36/396660536.db2.gz MOGXHCIQDXLART-CQSZACIVSA-N 1 1 323.349 0.499 20 5 DCBDMO C[C@@H]1COCC[N@H+]1C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000590386449 396768462 /nfs/dbraw/zinc/76/84/62/396768462.db2.gz ABWDNLWWVNRFIG-SNVBAGLBSA-N 1 1 323.353 0.643 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000316757130 396797836 /nfs/dbraw/zinc/79/78/36/396797836.db2.gz JUMMEQRJXASWCQ-SGMGOOAPSA-N 1 1 309.370 0.369 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000316757130 396797842 /nfs/dbraw/zinc/79/78/42/396797842.db2.gz JUMMEQRJXASWCQ-SGMGOOAPSA-N 1 1 309.370 0.369 20 5 DCBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000563989404 396802310 /nfs/dbraw/zinc/80/23/10/396802310.db2.gz HWWVLAPOHXYFSV-NSHDSACASA-N 1 1 308.338 0.309 20 5 DCBDMO C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1CN(C)CCO1 ZINC000611559065 396886301 /nfs/dbraw/zinc/88/63/01/396886301.db2.gz CDKQJGIKGHRHKD-RNCFNFMXSA-N 1 1 309.322 0.749 20 5 DCBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000600808229 396947494 /nfs/dbraw/zinc/94/74/94/396947494.db2.gz NBGMSRZPALQWAC-NSHDSACASA-N 1 1 318.333 0.873 20 5 DCBDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000618375034 396973396 /nfs/dbraw/zinc/97/33/96/396973396.db2.gz ZUBZLGBJAKUSGB-LLVKDONJSA-N 1 1 306.322 0.910 20 5 DCBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cnc([N+](=O)[O-])n1)C2 ZINC000597716986 397073770 /nfs/dbraw/zinc/07/37/70/397073770.db2.gz VHGSTOUONDIYMA-ZDUSSCGKSA-N 1 1 308.342 0.131 20 5 DCBDMO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000592308508 397149531 /nfs/dbraw/zinc/14/95/31/397149531.db2.gz NMBBFDOYJKANKE-PELKAZGASA-N 1 1 319.321 0.659 20 5 DCBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000602125908 397310784 /nfs/dbraw/zinc/31/07/84/397310784.db2.gz SYYRSIXKRYHGAQ-ZDUSSCGKSA-N 1 1 307.354 0.924 20 5 DCBDMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@@H](C)N1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000593188436 397336984 /nfs/dbraw/zinc/33/69/84/397336984.db2.gz HFSFOCBOWUOVDK-IJLUTSLNSA-N 1 1 322.365 0.696 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000602780106 397483078 /nfs/dbraw/zinc/48/30/78/397483078.db2.gz HGLXQDKFZORLDV-CQSZACIVSA-N 1 1 323.397 0.754 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000602799855 397488962 /nfs/dbraw/zinc/48/89/62/397488962.db2.gz QGCWPRQTIOILRK-GFCCVEGCSA-N 1 1 307.354 0.796 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000602819910 397494268 /nfs/dbraw/zinc/49/42/68/397494268.db2.gz FLVIKSIQSFHTTF-BXUZGUMPSA-N 1 1 310.354 0.980 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000602819910 397494271 /nfs/dbraw/zinc/49/42/71/397494271.db2.gz FLVIKSIQSFHTTF-BXUZGUMPSA-N 1 1 310.354 0.980 20 5 DCBDMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000609134950 397762506 /nfs/dbraw/zinc/76/25/06/397762506.db2.gz CMCUEMKBGPZVMY-STQMWFEESA-N 1 1 308.338 0.594 20 5 DCBDMO CC[C@@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)CC[N@H+]1C[C@@H](C)O ZINC000114709512 158156178 /nfs/dbraw/zinc/15/61/78/158156178.db2.gz FWYBITBQPLIYHG-ZYHUDNBSSA-N 1 1 311.386 0.918 20 5 DCBDMO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000124103681 158238542 /nfs/dbraw/zinc/23/85/42/158238542.db2.gz XZCOMUPPMHBXHJ-MRVPVSSYSA-N 1 1 305.331 0.868 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000367848039 159359815 /nfs/dbraw/zinc/35/98/15/159359815.db2.gz JZOCTBACJWWQCQ-LLVKDONJSA-N 1 1 307.354 0.773 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000367848039 159359816 /nfs/dbraw/zinc/35/98/16/159359816.db2.gz JZOCTBACJWWQCQ-LLVKDONJSA-N 1 1 307.354 0.773 20 5 DCBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000408148296 160047610 /nfs/dbraw/zinc/04/76/10/160047610.db2.gz AVENSPVGRDIPPT-ZDUSSCGKSA-N 1 1 319.365 0.733 20 5 DCBDMO C[N@H+]1CCC[C@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000151300249 287032741 /nfs/dbraw/zinc/03/27/41/287032741.db2.gz XLEDQQPWHUEUQM-LLVKDONJSA-N 1 1 310.358 0.432 20 5 DCBDMO Cc1nc(N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)ncc1[N+](=O)[O-] ZINC000420238347 287283953 /nfs/dbraw/zinc/28/39/53/287283953.db2.gz KXICAAAIBJCJQX-LLVKDONJSA-N 1 1 320.353 0.094 20 5 DCBDMO C[N@@H+](CCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])C1CC1 ZINC000273470728 415323525 /nfs/dbraw/zinc/32/35/25/415323525.db2.gz KBSBXSLCEDZUML-UHFFFAOYSA-N 1 1 314.367 0.748 20 5 DCBDMO C[N@@H+](CCc1ccncc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000121569000 415807384 /nfs/dbraw/zinc/80/73/84/415807384.db2.gz PUFIGZRMEHYWRN-AWEZNQCLSA-N 1 1 305.338 0.722 20 5 DCBDMO Cc1sc(S(=O)(=O)N2CC([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000126126937 415875462 /nfs/dbraw/zinc/87/54/62/415875462.db2.gz HVWILYIKMDZZEZ-UHFFFAOYSA-N 1 1 305.381 0.899 20 5 DCBDMO CC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000297708814 415969706 /nfs/dbraw/zinc/96/97/06/415969706.db2.gz AUUFCRWNUAZSGY-UHFFFAOYSA-N 1 1 308.338 0.910 20 5 DCBDMO CC(C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000301515647 416084454 /nfs/dbraw/zinc/08/44/54/416084454.db2.gz BSUAGMNTFWVDNE-UHFFFAOYSA-N 1 1 316.383 0.994 20 5 DCBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](CN3CCOCC3)C2)n1 ZINC000176263372 416122613 /nfs/dbraw/zinc/12/26/13/416122613.db2.gz URCYLYHQKIJZAL-ZDUSSCGKSA-N 1 1 309.370 0.445 20 5 DCBDMO CCN1CCN([C@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000177026319 416139278 /nfs/dbraw/zinc/13/92/78/416139278.db2.gz BMUJUQBWSGXSDH-AWEZNQCLSA-N 1 1 322.413 0.503 20 5 DCBDMO CCN1CCN([C@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000177026319 416139282 /nfs/dbraw/zinc/13/92/82/416139282.db2.gz BMUJUQBWSGXSDH-AWEZNQCLSA-N 1 1 322.413 0.503 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358045326 416177227 /nfs/dbraw/zinc/17/72/27/416177227.db2.gz JEBGLCQMUKZNBB-CQSZACIVSA-N 1 1 309.322 0.400 20 5 DCBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000183456755 416242766 /nfs/dbraw/zinc/24/27/66/416242766.db2.gz FCQXVZBOIQGYMI-VIFPVBQESA-N 1 1 305.338 0.786 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000342046826 416272846 /nfs/dbraw/zinc/27/28/46/416272846.db2.gz KOIJAQILIDXZOS-MCIONIFRSA-N 1 1 310.354 0.796 20 5 DCBDMO Cn1ccnc1[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000536068896 416536891 /nfs/dbraw/zinc/53/68/91/416536891.db2.gz PZSHCYJOAORYQQ-YPMHNXCESA-N 1 1 320.353 0.375 20 5 DCBDMO CC(C)Oc1nc(NCC[N@H+]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000599199161 416609460 /nfs/dbraw/zinc/60/94/60/416609460.db2.gz FTVWVRMGFOUWTP-NSHDSACASA-N 1 1 310.354 1.256 20 5 DCBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@@H]2C1 ZINC000425061311 416681451 /nfs/dbraw/zinc/68/14/51/416681451.db2.gz YREYPVDBNTZATP-WCQYABFASA-N 1 1 320.349 0.309 20 5 DCBDMO CNc1ccc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000545156092 416664632 /nfs/dbraw/zinc/66/46/32/416664632.db2.gz GYXSAAANMHERJF-AWEZNQCLSA-N 1 1 308.338 0.433 20 5 DCBDMO CC[N@@H+](C)C[C@H](O)COc1ccc([N+](=O)[O-])cc1-n1cnnn1 ZINC000515870283 416711354 /nfs/dbraw/zinc/71/13/54/416711354.db2.gz VGWNNGDOFMRQOQ-NSHDSACASA-N 1 1 322.325 0.262 20 5 DCBDMO Cc1cc(N2CCC[C@H](N3CC[NH2+]CC3=O)C2)ncc1[N+](=O)[O-] ZINC000569337100 417241867 /nfs/dbraw/zinc/24/18/67/417241867.db2.gz BVTPHKGBQVAJOW-LBPRGKRZSA-N 1 1 319.365 0.699 20 5 DCBDMO COC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+](C)C1 ZINC000413923628 417252645 /nfs/dbraw/zinc/25/26/45/417252645.db2.gz RMZCATOOABAXSD-LBPRGKRZSA-N 1 1 321.333 0.772 20 5 DCBDMO COC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C)C1 ZINC000413923628 417252649 /nfs/dbraw/zinc/25/26/49/417252649.db2.gz RMZCATOOABAXSD-LBPRGKRZSA-N 1 1 321.333 0.772 20 5 DCBDMO CC(=O)NCC[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576224948 417591484 /nfs/dbraw/zinc/59/14/84/417591484.db2.gz MCDLFXJREXHAAN-CYBMUJFWSA-N 1 1 311.338 0.402 20 5 DCBDMO CNc1nc(C(=O)N[C@H]2CC[N@@H+](CCOC)C2)ccc1[N+](=O)[O-] ZINC000455510196 417607764 /nfs/dbraw/zinc/60/77/64/417607764.db2.gz AHCNTEXKNMXLBD-JTQLQIEISA-N 1 1 323.353 0.482 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCOCC23CCCC3)c1 ZINC000362419565 262032750 /nfs/dbraw/zinc/03/27/50/262032750.db2.gz TVHICQFMBHPWKK-CYBMUJFWSA-N 1 1 310.354 0.797 20 5 DCBDMO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000362582603 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WALRLTQPYPDOQU-UHFFFAOYSA-N 1 1 304.324 0.443 20 5 DCBDMO C[C@@H](C(=O)NC[C@@]1(CO)COCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC001642788360 1171955357 /nfs/dbraw/zinc/95/53/57/1171955357.db2.gz QXPOMCHKRGHTHT-IAQYHMDHSA-N 1 1 323.349 0.165 20 5 DCBDMO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1[nH]ncc1[N+](=O)[O-] ZINC001644757545 1172020203 /nfs/dbraw/zinc/02/02/03/1172020203.db2.gz JMGIYDMRMBLIHN-WCBMZHEXSA-N 1 1 311.367 0.628 20 5 DCBDMO O=C(N[C@H]1CCC[N@H+]2CCSC[C@H]12)c1[nH]ncc1[N+](=O)[O-] ZINC001644757545 1172020206 /nfs/dbraw/zinc/02/02/06/1172020206.db2.gz JMGIYDMRMBLIHN-WCBMZHEXSA-N 1 1 311.367 0.628 20 5 DCBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2C[C@H](CCO)[C@H](CO)C2)cc1 ZINC001648634895 1173078630 /nfs/dbraw/zinc/07/86/30/1173078630.db2.gz KSSICFLYQUBPLM-KCQAQPDRSA-N 1 1 310.350 0.551 20 5 DCBDMO O=C(CC[N@H+]1CC[C@@H](O)[C@@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC001654751544 1173810809 /nfs/dbraw/zinc/81/08/09/1173810809.db2.gz GYTXXNIGLPBRCI-BXUZGUMPSA-N 1 1 323.349 0.599 20 5 DCBDMO O=C1OCC[C@@]12CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC001655919705 1173829854 /nfs/dbraw/zinc/82/98/54/1173829854.db2.gz WRLBMNNCEGIZMS-CQSZACIVSA-N 1 1 307.306 0.396 20 5 DCBDMO C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C[N@H+]1CCO ZINC001659064044 1173929984 /nfs/dbraw/zinc/92/99/84/1173929984.db2.gz IQLCEGHDSKRNNZ-QWHCGFSZSA-N 1 1 324.381 0.143 20 5 DCBDMO CCC[N@@H+](CCNC(=O)C(N)=O)Cc1cccc([N+](=O)[O-])c1 ZINC001713549329 1180915415 /nfs/dbraw/zinc/91/54/15/1180915415.db2.gz OGIMECAIJADJAO-UHFFFAOYSA-N 1 1 308.338 0.408 20 5 DCBDMO CC[N@@H+](CCNC(=O)CNC(C)=O)Cc1cccc([N+](=O)[O-])c1 ZINC001714574993 1181422784 /nfs/dbraw/zinc/42/27/84/1181422784.db2.gz DXWZSEJANQXGDM-UHFFFAOYSA-N 1 1 322.365 0.669 20 5 DCBDMO COc1nc(N2CC[NH+](C[C@@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC001165036632 721900616 /nfs/dbraw/zinc/90/06/16/721900616.db2.gz IPWWWGVSMGORNK-NSHDSACASA-N 1 1 323.353 0.694 20 5 DCBDMO COc1nc(SC)nc(-n2cnc(C[NH3+])cc2=N)c1[N+](=O)[O-] ZINC001167351639 747125956 /nfs/dbraw/zinc/12/59/56/747125956.db2.gz YRHRIHDWYDOQJT-UHFFFAOYSA-N 1 1 323.338 0.239 20 5 DCBDMO COC[C@](C)(CC(=O)OC)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC001167805105 748355027 /nfs/dbraw/zinc/35/50/27/748355027.db2.gz WJHPTQYXIDCMAE-LBPRGKRZSA-N 1 1 300.315 0.386 20 5 DCBDMO Cc1nnc(CC(=O)NCCNCc2csc([N+](=O)[O-])c2)[nH]1 ZINC001126907690 750103655 /nfs/dbraw/zinc/10/36/55/750103655.db2.gz RMFGSDFGEKVFCF-UHFFFAOYSA-N 1 1 324.366 0.531 20 5 DCBDMO Cc1nc(CC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC001126912111 750112962 /nfs/dbraw/zinc/11/29/62/750112962.db2.gz DJRINFOYBSXCCK-UHFFFAOYSA-N 1 1 318.337 0.470 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)C1(C(F)F)CC1 ZINC001127217482 750790904 /nfs/dbraw/zinc/79/09/04/750790904.db2.gz ZXIXAOVSZQNWLL-UHFFFAOYSA-N 1 1 317.296 0.579 20 5 DCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001048814565 754956971 /nfs/dbraw/zinc/95/69/71/754956971.db2.gz SKAUMGCGJRRRRU-AYRXBEOTSA-N 1 1 316.361 0.637 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001048814565 754956976 /nfs/dbraw/zinc/95/69/76/754956976.db2.gz SKAUMGCGJRRRRU-AYRXBEOTSA-N 1 1 316.361 0.637 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001048814565 754956980 /nfs/dbraw/zinc/95/69/80/754956980.db2.gz SKAUMGCGJRRRRU-AYRXBEOTSA-N 1 1 316.361 0.637 20 5 DCBDMO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2cnon2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001050325399 757602137 /nfs/dbraw/zinc/60/21/37/757602137.db2.gz BORSOBILOFVLHS-FPQZTECRSA-N 1 1 323.353 0.499 20 5 DCBDMO COc1ccc(C[C@H](C)[N@@H+]2C[C@H](CO)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001170334050 762612465 /nfs/dbraw/zinc/61/24/65/762612465.db2.gz AGYGMRIWDFERSY-JVLSTEMRSA-N 1 1 310.350 0.819 20 5 DCBDMO O=C(NCCNCc1ccccc1[N+](=O)[O-])C12CC[NH+](CC1)C2 ZINC001147977667 767890919 /nfs/dbraw/zinc/89/09/19/767890919.db2.gz UQAYAKLRHQDGPQ-UHFFFAOYSA-N 1 1 318.377 0.896 20 5 DCBDMO Cc1ocnc1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001124376419 768229941 /nfs/dbraw/zinc/22/99/41/768229941.db2.gz ZNXWYPIRGMLGCV-UHFFFAOYSA-N 1 1 308.298 0.144 20 5 DCBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C)C1 ZINC001120943317 767319355 /nfs/dbraw/zinc/31/93/55/767319355.db2.gz YOUBZAIYQQYLDA-NSHDSACASA-N 1 1 320.349 0.916 20 5 DCBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@H](C)[N@H+]1CCO ZINC001140911413 768554676 /nfs/dbraw/zinc/55/46/76/768554676.db2.gz KMRCTPNNUVHCDF-PHIMTYICSA-N 1 1 308.338 0.517 20 5 DCBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@H](C)[N@@H+]1CCO ZINC001140911413 768554682 /nfs/dbraw/zinc/55/46/82/768554682.db2.gz KMRCTPNNUVHCDF-PHIMTYICSA-N 1 1 308.338 0.517 20 5 DCBDMO CC(C)[N@@H+](C)CC(=O)NCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001093674100 768687556 /nfs/dbraw/zinc/68/75/56/768687556.db2.gz ONXQSVIPEWFEPY-UHFFFAOYSA-N 1 1 311.342 0.564 20 5 DCBDMO Cc1c[n+]([O-])c(NCCC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC001161700940 772267665 /nfs/dbraw/zinc/26/76/65/772267665.db2.gz WSSCVAULCMJESI-UHFFFAOYSA-N 1 1 309.370 0.586 20 5 DCBDMO CC(=O)c1ccc(NC[C@]2(CO)COCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001164046523 772608907 /nfs/dbraw/zinc/60/89/07/772608907.db2.gz MMMZIBMETGCLAA-AWEZNQCLSA-N 1 1 309.322 0.560 20 5 DCBDMO CCOCCC[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164494592 772668247 /nfs/dbraw/zinc/66/82/47/772668247.db2.gz NPYOTBIUOBBATP-CHWSQXEVSA-N 1 1 313.398 0.954 20 5 DCBDMO COc1cc(N2CC([N@@H+](C)[C@@H]3CCOC3)C2)ncc1[N+](=O)[O-] ZINC001165205932 772705282 /nfs/dbraw/zinc/70/52/82/772705282.db2.gz YWQKHXGLCSECOZ-SNVBAGLBSA-N 1 1 308.338 0.908 20 5 DCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]1CO ZINC001198113159 773863245 /nfs/dbraw/zinc/86/32/45/773863245.db2.gz WCVDTIPMZVAIKU-NSHDSACASA-N 1 1 309.322 0.999 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]CCOC2CCC2)CC1 ZINC001200471843 774359535 /nfs/dbraw/zinc/35/95/35/774359535.db2.gz KIZDFBOQHLKCDI-ZIAGYGMSSA-N 1 1 311.382 0.801 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(CNC(=O)CCCF)CC1 ZINC001269468863 940714667 /nfs/dbraw/zinc/71/46/67/940714667.db2.gz MZSPJVOIVGDQLU-UHFFFAOYSA-N 1 1 313.333 0.816 20 5 DCBDMO Cc1ncccc1C[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001482596404 941565668 /nfs/dbraw/zinc/56/56/68/941565668.db2.gz QCQMUXXDVSPBED-ZIAGYGMSSA-N 1 1 306.366 0.945 20 5 DCBDMO O=C(NCc1ccc(C[NH2+]CCCO)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC001318990481 945477658 /nfs/dbraw/zinc/47/76/58/945477658.db2.gz KUMLKVFTCPSHLA-ZIAGYGMSSA-N 1 1 307.350 0.440 20 5 DCBDMO CNC(=O)[C@@H]1CC[N@@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001462381547 1013065527 /nfs/dbraw/zinc/06/55/27/1013065527.db2.gz DKFKYZACALHDTE-SNVBAGLBSA-N 1 1 309.322 0.877 20 5 DCBDMO Cc1cc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc(C)[nH+]1 ZINC001324558898 947456106 /nfs/dbraw/zinc/45/61/06/947456106.db2.gz RXTXGGCCOWVVQH-UHFFFAOYSA-N 1 1 302.290 0.829 20 5 DCBDMO Cc1ncccc1C[NH2+]CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001276002404 952608888 /nfs/dbraw/zinc/60/88/88/952608888.db2.gz PZPWLVYGIKCECH-ZIAGYGMSSA-N 1 1 306.366 0.993 20 5 DCBDMO O=C(C[NH2+]CC[N+](=O)[O-])N1CCN(Cc2ccccc2)CC1 ZINC001336772955 952763507 /nfs/dbraw/zinc/76/35/07/952763507.db2.gz PNKAOSUTYOWRED-UHFFFAOYSA-N 1 1 306.366 0.197 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@H]2C1 ZINC001339316635 953087032 /nfs/dbraw/zinc/08/70/32/953087032.db2.gz IXAPHPAWJWFWHN-WCFLWFBJSA-N 1 1 320.349 0.213 20 5 DCBDMO COCCn1c(C[N+](=O)[O-])nnc1N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001341622938 953241600 /nfs/dbraw/zinc/24/16/00/953241600.db2.gz JEQRBTGUQKCREV-NEPJUHHUSA-N 1 1 324.385 0.232 20 5 DCBDMO CC[N@@H+]1CC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001290799335 956890447 /nfs/dbraw/zinc/89/04/47/956890447.db2.gz IWOBHVRQLZQFCY-CYBMUJFWSA-N 1 1 319.365 0.733 20 5 DCBDMO CC[N@H+]1CC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001290799335 956890463 /nfs/dbraw/zinc/89/04/63/956890463.db2.gz IWOBHVRQLZQFCY-CYBMUJFWSA-N 1 1 319.365 0.733 20 5 DCBDMO C[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC001298641147 958671216 /nfs/dbraw/zinc/67/12/16/958671216.db2.gz PRDMJUZNQKPNPI-SNVBAGLBSA-N 1 1 307.354 0.885 20 5 DCBDMO CCc1[nH]nc(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC001471373692 1016565828 /nfs/dbraw/zinc/56/58/28/1016565828.db2.gz MJYFXKMHNQGIDR-ZDUSSCGKSA-N 1 1 311.342 0.019 20 5 DCBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC([NH2+]C3COC3)C2)c1 ZINC001472157985 1016751836 /nfs/dbraw/zinc/75/18/36/1016751836.db2.gz HGAKUFLUCUSNMB-UHFFFAOYSA-N 1 1 307.306 0.416 20 5 DCBDMO COc1ccc(NC(=O)NCC[N@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001520151461 1017253580 /nfs/dbraw/zinc/25/35/80/1017253580.db2.gz PRHLWFJIUUFMCY-JTQLQIEISA-N 1 1 324.337 0.792 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccnc(N)c3[N+](=O)[O-])CC[C@H]21 ZINC001557976356 1012311165 /nfs/dbraw/zinc/31/11/65/1012311165.db2.gz IGKBXEHLHOMOJS-MWLCHTKSSA-N 1 1 305.338 0.738 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001558157989 1012326723 /nfs/dbraw/zinc/32/67/23/1012326723.db2.gz LSPBXUVCIFEUIO-UONOGXRCSA-N 1 1 305.334 0.876 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@@H](Nc3ncc([N+](=O)[O-])cc3C(N)=O)[C@@H]2C1 ZINC001559303953 1012418567 /nfs/dbraw/zinc/41/85/67/1012418567.db2.gz JQEXICGFRPOGHD-XXILOJSOSA-N 1 1 305.338 0.841 20 5 DCBDMO Nc1cc([N+](=O)[O-])ccc1C(=O)NCCC[NH+]1CCOCC1 ZINC001540327081 1012451260 /nfs/dbraw/zinc/45/12/60/1012451260.db2.gz NDHGFDFAHAOFCY-UHFFFAOYSA-N 1 1 308.338 0.629 20 5 DCBDMO C[N@@H+](CCn1cnnc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001460752148 1012963564 /nfs/dbraw/zinc/96/35/64/1012963564.db2.gz KTPLSDFJHMZANR-GFCCVEGCSA-N 1 1 321.337 0.558 20 5 DCBDMO NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001460880764 1012984128 /nfs/dbraw/zinc/98/41/28/1012984128.db2.gz IYRKLIRQMODPLF-SNVBAGLBSA-N 1 1 317.342 0.844 20 5 DCBDMO NS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001460880764 1012984151 /nfs/dbraw/zinc/98/41/51/1012984151.db2.gz IYRKLIRQMODPLF-SNVBAGLBSA-N 1 1 317.342 0.844 20 5 DCBDMO CC(C)(O)C[NH+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000180760001 199205193 /nfs/dbraw/zinc/20/51/93/199205193.db2.gz HSDHJFBRLNZMCC-UHFFFAOYSA-N 1 1 322.365 0.706 20 5 DCBDMO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ncnn1C ZINC000566123699 291272185 /nfs/dbraw/zinc/27/21/85/291272185.db2.gz CZTJNXRWSZRFJH-ZYHUDNBSSA-N 1 1 321.337 0.814 20 5 DCBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@H+](C)CCN2C)c1 ZINC000264714793 204095953 /nfs/dbraw/zinc/09/59/53/204095953.db2.gz GGRSHFIABVLOCB-NSHDSACASA-N 1 1 322.365 0.579 20 5 DCBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000264714793 204095955 /nfs/dbraw/zinc/09/59/55/204095955.db2.gz GGRSHFIABVLOCB-NSHDSACASA-N 1 1 322.365 0.579 20 5 DCBDMO CN1CC[NH+](CCCNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000105089321 194071888 /nfs/dbraw/zinc/07/18/88/194071888.db2.gz YPGFYGQVXLJTAT-UHFFFAOYSA-N 1 1 306.366 0.962 20 5 DCBDMO NC(=O)c1ccc(C[N@H+]2[C@@H](CO)CC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000347349582 254150474 /nfs/dbraw/zinc/15/04/74/254150474.db2.gz WFGGIJXUSHBOEK-TXEJJXNPSA-N 1 1 309.322 0.011 20 5 DCBDMO Cc1cccc(C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000348568895 254245549 /nfs/dbraw/zinc/24/55/49/254245549.db2.gz DZAOXUGVCUOGPS-AWEZNQCLSA-N 1 1 305.338 0.988 20 5 DCBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)C[NH+]1CCOCC1 ZINC000349420047 254282083 /nfs/dbraw/zinc/28/20/83/254282083.db2.gz QCWUBPWGCABCID-LLVKDONJSA-N 1 1 310.354 0.631 20 5 DCBDMO Nc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000275800760 130388038 /nfs/dbraw/zinc/38/80/38/130388038.db2.gz HZIXKEKLTKGTEZ-UHFFFAOYSA-N 1 1 308.338 0.629 20 5 DCBDMO Nc1cccc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CCCOCC1 ZINC000275800760 130388043 /nfs/dbraw/zinc/38/80/43/130388043.db2.gz HZIXKEKLTKGTEZ-UHFFFAOYSA-N 1 1 308.338 0.629 20 5 DCBDMO COC(=O)c1cc([N+](=O)[O-])c(=O)n(CCn2cc[nH+]c2C)c1 ZINC000270652400 395794020 /nfs/dbraw/zinc/79/40/20/395794020.db2.gz MHCZNLNFDYIUIF-UHFFFAOYSA-N 1 1 306.278 0.748 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC([NH+](C)C)C1 ZINC000272137546 395872634 /nfs/dbraw/zinc/87/26/34/395872634.db2.gz ULOBKAXWBKFEBU-UHFFFAOYSA-N 1 1 315.351 0.538 20 5 DCBDMO C[N@H+]1CCC[C@@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000140023139 395955759 /nfs/dbraw/zinc/95/57/59/395955759.db2.gz MGGFMHZWEMEEJI-SECBINFHSA-N 1 1 314.367 0.748 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000141384964 395957799 /nfs/dbraw/zinc/95/77/99/395957799.db2.gz BRGHNQJMSIOKRD-GFCCVEGCSA-N 1 1 307.354 0.796 20 5 DCBDMO C[C@H]1C[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C[N@H+]1C1CC1 ZINC000151322972 395983876 /nfs/dbraw/zinc/98/38/76/395983876.db2.gz KHPYNHOYUWJOQD-QWRGUYRKSA-N 1 1 322.369 0.716 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000154030208 396029611 /nfs/dbraw/zinc/02/96/11/396029611.db2.gz DBXSIEFGNMESNX-LBPRGKRZSA-N 1 1 309.370 0.898 20 5 DCBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2[nH]ncc2[N+](=O)[O-])CCCO1 ZINC000277714537 396083356 /nfs/dbraw/zinc/08/33/56/396083356.db2.gz WURHNWGZBQHUHH-SNVBAGLBSA-N 1 1 311.342 0.549 20 5 DCBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2n[nH]cc2[N+](=O)[O-])CCCO1 ZINC000277714537 396083358 /nfs/dbraw/zinc/08/33/58/396083358.db2.gz WURHNWGZBQHUHH-SNVBAGLBSA-N 1 1 311.342 0.549 20 5 DCBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2n[nH]cc2[N+](=O)[O-])CCCO1 ZINC000277714537 396083360 /nfs/dbraw/zinc/08/33/60/396083360.db2.gz WURHNWGZBQHUHH-SNVBAGLBSA-N 1 1 311.342 0.549 20 5 DCBDMO Nc1c(C(=O)NCCC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000178145964 396189991 /nfs/dbraw/zinc/18/99/91/396189991.db2.gz PDZNIELSOHEBNE-UHFFFAOYSA-N 1 1 308.338 0.629 20 5 DCBDMO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@]2(CCOC2)O1 ZINC000280320224 396193189 /nfs/dbraw/zinc/19/31/89/396193189.db2.gz GYQSRZWLJLYJNL-IUODEOHRSA-N 1 1 323.349 0.636 20 5 DCBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@]2(CCOC2)O1 ZINC000280320224 396193190 /nfs/dbraw/zinc/19/31/90/396193190.db2.gz GYQSRZWLJLYJNL-IUODEOHRSA-N 1 1 323.349 0.636 20 5 DCBDMO C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000077817764 396234608 /nfs/dbraw/zinc/23/46/08/396234608.db2.gz MGKYGQYNMYFLJT-JTQLQIEISA-N 1 1 306.322 0.601 20 5 DCBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000264562641 396291186 /nfs/dbraw/zinc/29/11/86/396291186.db2.gz QXUXZRCCLLJSOB-ZDUSSCGKSA-N 1 1 320.349 0.664 20 5 DCBDMO O=C1NC(=O)[C@]2(CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000192659000 396435149 /nfs/dbraw/zinc/43/51/49/396435149.db2.gz OCMAJCRNNBFOJD-OAHLLOKOSA-N 1 1 318.333 0.811 20 5 DCBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193412245 396450799 /nfs/dbraw/zinc/45/07/99/396450799.db2.gz BLPATOMWMAZVLK-SECBINFHSA-N 1 1 306.322 0.910 20 5 DCBDMO Cn1ccnc1[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000530410535 396577285 /nfs/dbraw/zinc/57/72/85/396577285.db2.gz KDNHPKBAGGKVKV-GFCCVEGCSA-N 1 1 317.349 0.980 20 5 DCBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cnc3N)[C@H]2C1 ZINC000373395073 396588568 /nfs/dbraw/zinc/58/85/68/396588568.db2.gz SWUFBSOVGMPVDD-CABZTGNLSA-N 1 1 305.338 0.738 20 5 DCBDMO O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)N1 ZINC000595464407 396612740 /nfs/dbraw/zinc/61/27/40/396612740.db2.gz CFPRUKPQVYMODJ-AWEZNQCLSA-N 1 1 322.296 0.908 20 5 DCBDMO O=C1NC(=O)[C@@]2(CCC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)N1 ZINC000595464407 396612742 /nfs/dbraw/zinc/61/27/42/396612742.db2.gz CFPRUKPQVYMODJ-AWEZNQCLSA-N 1 1 322.296 0.908 20 5 DCBDMO CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])n[nH]3)C2)CC1 ZINC000586779808 396665632 /nfs/dbraw/zinc/66/56/32/396665632.db2.gz HMWXTWWJYRFLSO-SNVBAGLBSA-N 1 1 322.369 0.216 20 5 DCBDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])n[nH]3)C2)CC1 ZINC000586779808 396665637 /nfs/dbraw/zinc/66/56/37/396665637.db2.gz HMWXTWWJYRFLSO-SNVBAGLBSA-N 1 1 322.369 0.216 20 5 DCBDMO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588860173 396695781 /nfs/dbraw/zinc/69/57/81/396695781.db2.gz FDVOMOHTGUMBOO-MNOVXSKESA-N 1 1 311.363 0.937 20 5 DCBDMO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](n3cncn3)C2)c([N+](=O)[O-])c1 ZINC000375329352 396728249 /nfs/dbraw/zinc/72/82/49/396728249.db2.gz SETZQKNWCIEUSD-GFCCVEGCSA-N 1 1 316.321 0.732 20 5 DCBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H](n3cncn3)C2)c([N+](=O)[O-])c1 ZINC000375329352 396728251 /nfs/dbraw/zinc/72/82/51/396728251.db2.gz SETZQKNWCIEUSD-GFCCVEGCSA-N 1 1 316.321 0.732 20 5 DCBDMO C[C@@H](C[NH+]1CCN(C)CC1)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596120041 396720173 /nfs/dbraw/zinc/72/01/73/396720173.db2.gz CRKZTEYETVWGOU-NSHDSACASA-N 1 1 321.381 0.742 20 5 DCBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@H](C)[N@@H+]1CCO ZINC000596256323 396746258 /nfs/dbraw/zinc/74/62/58/396746258.db2.gz AAMYTDNXSJLSFU-PHIMTYICSA-N 1 1 322.365 0.585 20 5 DCBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H](O)C(F)(F)F ZINC000305780688 396752274 /nfs/dbraw/zinc/75/22/74/396752274.db2.gz TUNMGOXWWPZBAB-RKDXNWHRSA-N 1 1 312.248 0.007 20 5 DCBDMO C[N@@H+](CCOC(C)(C)C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610859707 396771716 /nfs/dbraw/zinc/77/17/16/396771716.db2.gz IZQCXPDTDKFLOX-LBPRGKRZSA-N 1 1 300.359 0.899 20 5 DCBDMO C[C@@H]1[C@H](O)CC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000590762162 396835817 /nfs/dbraw/zinc/83/58/17/396835817.db2.gz KIKXDPQFCUMPDA-QMTHXVAHSA-N 1 1 305.334 0.939 20 5 DCBDMO C[C@@H]1[C@H](O)CC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000590762162 396835820 /nfs/dbraw/zinc/83/58/20/396835820.db2.gz KIKXDPQFCUMPDA-QMTHXVAHSA-N 1 1 305.334 0.939 20 5 DCBDMO Cc1cc(S(=O)(=O)N2CC([NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000590591199 396806546 /nfs/dbraw/zinc/80/65/46/396806546.db2.gz POQSIVPSJGINPV-UHFFFAOYSA-N 1 1 317.342 0.977 20 5 DCBDMO CC[N@@H+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@H]1C ZINC000611088247 396814994 /nfs/dbraw/zinc/81/49/94/396814994.db2.gz LFWJVLVOIXDXQB-LLVKDONJSA-N 1 1 308.338 0.309 20 5 DCBDMO CC[N@H+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@H]1C ZINC000611088247 396815000 /nfs/dbraw/zinc/81/50/00/396815000.db2.gz LFWJVLVOIXDXQB-LLVKDONJSA-N 1 1 308.338 0.309 20 5 DCBDMO CN(CC(=O)N1CC[NH+](C)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000611522634 396878394 /nfs/dbraw/zinc/87/83/94/396878394.db2.gz NQFLUPQACDTKBI-UHFFFAOYSA-N 1 1 306.366 0.801 20 5 DCBDMO Cn1ccnc1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000572112548 397021900 /nfs/dbraw/zinc/02/19/00/397021900.db2.gz OVJNTFABIFPBNK-GFCCVEGCSA-N 1 1 306.322 0.858 20 5 DCBDMO [NH3+]CC1(O)CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000572840740 397101268 /nfs/dbraw/zinc/10/12/68/397101268.db2.gz SDJIDEAVJLNLFF-UHFFFAOYSA-N 1 1 319.321 0.397 20 5 DCBDMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000597679233 397059544 /nfs/dbraw/zinc/05/95/44/397059544.db2.gz QCIUIHPLTMPWKI-JTQLQIEISA-N 1 1 323.353 0.643 20 5 DCBDMO COC(=O)[C@H]1C[C@H](O)C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000592206264 397129410 /nfs/dbraw/zinc/12/94/10/397129410.db2.gz YMOIWOUCJQLPNB-RYUDHWBXSA-N 1 1 324.333 0.829 20 5 DCBDMO COC(=O)c1ccnc(NC[C@@]2(O)CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000598614637 397259733 /nfs/dbraw/zinc/25/97/33/397259733.db2.gz MJBKWXHSJCOXAL-ZDUSSCGKSA-N 1 1 310.310 0.255 20 5 DCBDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000365926441 397335285 /nfs/dbraw/zinc/33/52/85/397335285.db2.gz CVMADZUQCLJZGF-LBPRGKRZSA-N 1 1 323.353 0.285 20 5 DCBDMO C[N@H+]1CCO[C@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000365926441 397335286 /nfs/dbraw/zinc/33/52/86/397335286.db2.gz CVMADZUQCLJZGF-LBPRGKRZSA-N 1 1 323.353 0.285 20 5 DCBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593853894 397456123 /nfs/dbraw/zinc/45/61/23/397456123.db2.gz HOJBJPOEKQNDGW-CYBMUJFWSA-N 1 1 309.297 0.625 20 5 DCBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593853894 397456127 /nfs/dbraw/zinc/45/61/27/397456127.db2.gz HOJBJPOEKQNDGW-CYBMUJFWSA-N 1 1 309.297 0.625 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000602828564 397496571 /nfs/dbraw/zinc/49/65/71/397496571.db2.gz HIBBBYLZSDDKJJ-GXTWGEPZSA-N 1 1 323.397 0.895 20 5 DCBDMO COCC[N@@H+](C)C[C@@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000593962652 397487022 /nfs/dbraw/zinc/48/70/22/397487022.db2.gz VRQCXPRMTLOFRV-MRXNPFEDSA-N 1 1 323.393 0.892 20 5 DCBDMO CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])c[nH]3)C2)CC1 ZINC000609571586 397782575 /nfs/dbraw/zinc/78/25/75/397782575.db2.gz FDZXCNHWLGLINH-LLVKDONJSA-N 1 1 321.381 0.821 20 5 DCBDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])c[nH]3)C2)CC1 ZINC000609571586 397782581 /nfs/dbraw/zinc/78/25/81/397782581.db2.gz FDZXCNHWLGLINH-LLVKDONJSA-N 1 1 321.381 0.821 20 5 DCBDMO COc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000054371029 286349155 /nfs/dbraw/zinc/34/91/55/286349155.db2.gz QQCMSOYLBFKIGG-VIFPVBQESA-N 1 1 315.351 0.586 20 5 DCBDMO Nc1ccc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000320727505 159010364 /nfs/dbraw/zinc/01/03/64/159010364.db2.gz DQSZZFURJZPPAW-VXGBXAGGSA-N 1 1 320.349 0.770 20 5 DCBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368373461 159389883 /nfs/dbraw/zinc/38/98/83/159389883.db2.gz GDUHPMHSKJGXAW-QPUJVOFHSA-N 1 1 301.306 0.905 20 5 DCBDMO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[NH+](CCO)CC1 ZINC000193754190 287061782 /nfs/dbraw/zinc/06/17/82/287061782.db2.gz CARZKAZDKNMUPT-UHFFFAOYSA-N 1 1 323.349 0.500 20 5 DCBDMO CNC(=O)N[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000342364339 415154226 /nfs/dbraw/zinc/15/42/26/415154226.db2.gz DLYYBQYXHFTGLR-NSHDSACASA-N 1 1 308.338 0.977 20 5 DCBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000268146259 415165783 /nfs/dbraw/zinc/16/57/83/415165783.db2.gz FDDQZUNDVIHAED-GXFFZTMASA-N 1 1 320.349 0.355 20 5 DCBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000272601408 415291787 /nfs/dbraw/zinc/29/17/87/415291787.db2.gz XNYOVONOFVNNTR-NSHDSACASA-N 1 1 309.322 0.751 20 5 DCBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272601408 415291799 /nfs/dbraw/zinc/29/17/99/415291799.db2.gz XNYOVONOFVNNTR-NSHDSACASA-N 1 1 309.322 0.751 20 5 DCBDMO NC(=O)c1cccc(N2CC[N@@H+]3CCOC[C@@H]3C2)c1[N+](=O)[O-] ZINC000342833163 415309239 /nfs/dbraw/zinc/30/92/39/415309239.db2.gz XZCNJZDJBRHOAJ-JTQLQIEISA-N 1 1 306.322 0.215 20 5 DCBDMO NC(=O)c1cccc(N2CC[N@H+]3CCOC[C@@H]3C2)c1[N+](=O)[O-] ZINC000342833163 415309247 /nfs/dbraw/zinc/30/92/47/415309247.db2.gz XZCNJZDJBRHOAJ-JTQLQIEISA-N 1 1 306.322 0.215 20 5 DCBDMO C[C@@H]1C[C@@H](N2CCCC2)C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352814863 415335365 /nfs/dbraw/zinc/33/53/65/415335365.db2.gz KCMQXOMBSNCVKQ-NFAWXSAZSA-N 1 1 323.397 0.711 20 5 DCBDMO C[C@@H]1C[C@@H](N2CCCC2)C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352814863 415335373 /nfs/dbraw/zinc/33/53/73/415335373.db2.gz KCMQXOMBSNCVKQ-NFAWXSAZSA-N 1 1 323.397 0.711 20 5 DCBDMO C[C@@H]1C[N@@H+](CCN(C)c2ncc([N+](=O)[O-])c(N)n2)C[C@H](C)O1 ZINC000278890405 415504128 /nfs/dbraw/zinc/50/41/28/415504128.db2.gz PRVSJUKTOMUBAM-AOOOYVTPSA-N 1 1 310.358 0.512 20 5 DCBDMO C[C@@H]1C[N@H+](CCN(C)c2ncc([N+](=O)[O-])c(N)n2)C[C@H](C)O1 ZINC000278890405 415504136 /nfs/dbraw/zinc/50/41/36/415504136.db2.gz PRVSJUKTOMUBAM-AOOOYVTPSA-N 1 1 310.358 0.512 20 5 DCBDMO CC[N@H+]1CC[C@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000102488836 415597849 /nfs/dbraw/zinc/59/78/49/415597849.db2.gz BAWVKEYIELGHKH-LLVKDONJSA-N 1 1 309.370 0.984 20 5 DCBDMO COCC[N@H+]1CC[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290479620 415808544 /nfs/dbraw/zinc/80/85/44/415808544.db2.gz BHJUCHQNCGRSDZ-SECBINFHSA-N 1 1 309.326 0.221 20 5 DCBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000344643678 415964336 /nfs/dbraw/zinc/96/43/36/415964336.db2.gz NDFKODRRKJTQKK-JTQLQIEISA-N 1 1 310.358 0.423 20 5 DCBDMO Cc1nn(C)c(N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1[N+](=O)[O-] ZINC000301299413 416080506 /nfs/dbraw/zinc/08/05/06/416080506.db2.gz QJOPDRSDLVCZRI-ZDUSSCGKSA-N 1 1 322.413 0.853 20 5 DCBDMO CNC(=O)CC[N@@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000171759093 416040162 /nfs/dbraw/zinc/04/01/62/416040162.db2.gz UPPQVTPJIPKSTC-CYBMUJFWSA-N 1 1 320.349 0.768 20 5 DCBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCC(CO)CC1 ZINC000305252744 416104696 /nfs/dbraw/zinc/10/46/96/416104696.db2.gz VPFBBAUYIBZXJX-ORHYLEIMSA-N 1 1 312.370 0.635 20 5 DCBDMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345675011 416131181 /nfs/dbraw/zinc/13/11/81/416131181.db2.gz VFGAEBWEGHMYJO-BDAKNGLRSA-N 1 1 322.325 0.059 20 5 DCBDMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345675011 416131187 /nfs/dbraw/zinc/13/11/87/416131187.db2.gz VFGAEBWEGHMYJO-BDAKNGLRSA-N 1 1 322.325 0.059 20 5 DCBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000358057975 416181275 /nfs/dbraw/zinc/18/12/75/416181275.db2.gz PSERQXXGSZXVSV-CQSZACIVSA-N 1 1 323.305 0.120 20 5 DCBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000358065036 416185337 /nfs/dbraw/zinc/18/53/37/416185337.db2.gz MUJXWYSEBXGHAQ-LLVKDONJSA-N 1 1 310.354 0.774 20 5 DCBDMO CN(C)c1[nH+]cc(CNC(=O)c2ccc([N+](=O)[O-])n2C)n1C ZINC000358074491 416187291 /nfs/dbraw/zinc/18/72/91/416187291.db2.gz HWEBSMZZBSSQMQ-UHFFFAOYSA-N 1 1 306.326 0.663 20 5 DCBDMO CN(CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1[N+](=O)[O-] ZINC000182385466 416220732 /nfs/dbraw/zinc/22/07/32/416220732.db2.gz JPPXQXJMYVHTFT-UHFFFAOYSA-N 1 1 306.366 0.801 20 5 DCBDMO C[C@H](O)C[NH+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000189677198 416268739 /nfs/dbraw/zinc/26/87/39/416268739.db2.gz GBWKDHNXNUWVKK-LBPRGKRZSA-N 1 1 323.349 0.499 20 5 DCBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000362069945 416553068 /nfs/dbraw/zinc/55/30/68/416553068.db2.gz VLBLBKMWCPGFSO-UPJWGTAASA-N 1 1 310.350 0.895 20 5 DCBDMO CNc1nccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000584241773 416509614 /nfs/dbraw/zinc/50/96/14/416509614.db2.gz UWQFMTZWWQPDDR-FGWVZKOKSA-N 1 1 319.365 1.387 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000609285020 416653108 /nfs/dbraw/zinc/65/31/08/416653108.db2.gz CKECZARRTIHTCO-RYUDHWBXSA-N 1 1 308.338 0.594 20 5 DCBDMO CN1CC[N@H+](C)C[C@@H]1c1noc(-c2ccc([N+](=O)[O-])cn2)n1 ZINC000545087710 416662144 /nfs/dbraw/zinc/66/21/44/416662144.db2.gz YYZVFFHHONWFGC-LLVKDONJSA-N 1 1 304.310 0.958 20 5 DCBDMO CN1CC[N@@H+](C)C[C@@H]1c1noc(-c2ccc([N+](=O)[O-])cn2)n1 ZINC000545087710 416662148 /nfs/dbraw/zinc/66/21/48/416662148.db2.gz YYZVFFHHONWFGC-LLVKDONJSA-N 1 1 304.310 0.958 20 5 DCBDMO Cc1ccc(NCCCNC(=O)c2c[nH]nc2[N+](=O)[O-])[nH+]c1 ZINC000549177461 416693472 /nfs/dbraw/zinc/69/34/72/416693472.db2.gz USHMACMPCHMASR-UHFFFAOYSA-N 1 1 304.310 1.253 20 5 DCBDMO COCC[N@@H+](C)C[C@H](O)COc1ccc([N+](=O)[O-])c(CO)c1 ZINC000518563093 416864251 /nfs/dbraw/zinc/86/42/51/416864251.db2.gz UZRFBNBQVUZPAG-LBPRGKRZSA-N 1 1 314.338 0.405 20 5 DCBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccnc(NC)c2[N+](=O)[O-])C1 ZINC000561172120 416855601 /nfs/dbraw/zinc/85/56/01/416855601.db2.gz KBQSARSLPSOZDW-JTQLQIEISA-N 1 1 307.354 1.103 20 5 DCBDMO Nc1nc(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000370566422 416895680 /nfs/dbraw/zinc/89/56/80/416895680.db2.gz WBUFJAWXZWPAHB-GHMZBOCLSA-N 1 1 322.369 1.022 20 5 DCBDMO C[C@@H]1CC[C@@H]([N@@H+](CCO)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000429761204 416993695 /nfs/dbraw/zinc/99/36/95/416993695.db2.gz DBLQDBIIRKTCRY-YRGRVCCFSA-N 1 1 312.370 0.635 20 5 DCBDMO Cc1c(CNC(=O)CN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000616492873 417062884 /nfs/dbraw/zinc/06/28/84/417062884.db2.gz XQRUPIPBAIBGTQ-UHFFFAOYSA-N 1 1 306.366 0.767 20 5 DCBDMO CO[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000451748620 417389249 /nfs/dbraw/zinc/38/92/49/417389249.db2.gz JFQDDJHDYINYOF-MRVWCRGKSA-N 1 1 312.322 0.026 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000451624531 417365233 /nfs/dbraw/zinc/36/52/33/417365233.db2.gz NQXRPXCZRYYQCQ-IPYPFGDCSA-N 1 1 321.377 0.970 20 5 DCBDMO CN1CC[C@@H]2C[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000451624531 417365240 /nfs/dbraw/zinc/36/52/40/417365240.db2.gz NQXRPXCZRYYQCQ-IPYPFGDCSA-N 1 1 321.377 0.970 20 5 DCBDMO CN1CC[C@@H]2C[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000451624531 417365246 /nfs/dbraw/zinc/36/52/46/417365246.db2.gz NQXRPXCZRYYQCQ-IPYPFGDCSA-N 1 1 321.377 0.970 20 5 DCBDMO CNc1nc(C(=O)N2CC[N@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000457085459 417685503 /nfs/dbraw/zinc/68/55/03/417685503.db2.gz HKQRAPVQVIAECT-SNVBAGLBSA-N 1 1 323.353 0.170 20 5 DCBDMO CNc1nc(C(=O)N2CC[N@@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000457085459 417685510 /nfs/dbraw/zinc/68/55/10/417685510.db2.gz HKQRAPVQVIAECT-SNVBAGLBSA-N 1 1 323.353 0.170 20 5 DCBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000578950037 417688146 /nfs/dbraw/zinc/68/81/46/417688146.db2.gz PPQQGCBFIGTJPB-LDYMZIIASA-N 1 1 305.338 0.785 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000299286017 229028910 /nfs/dbraw/zinc/02/89/10/229028910.db2.gz GDSNJABRTLEDTR-NEPJUHHUSA-N 1 1 307.354 0.843 20 5 DCBDMO Cc1[nH+]ccn1CCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000299514423 229172563 /nfs/dbraw/zinc/17/25/63/229172563.db2.gz NKPCCLJLHAYGEV-UHFFFAOYSA-N 1 1 319.321 0.468 20 5 DCBDMO C[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)[NH+]1CCN(C)CC1 ZINC000302008289 230032900 /nfs/dbraw/zinc/03/29/00/230032900.db2.gz VEZFSEROMFKIAY-LLVKDONJSA-N 1 1 319.369 0.685 20 5 DCBDMO CN1CCC[C@H](C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304321528 261174027 /nfs/dbraw/zinc/17/40/27/261174027.db2.gz QMYFTYLABOJWKZ-JSGCOSHPSA-N 1 1 311.386 0.426 20 5 DCBDMO CN1CCC[C@H](C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304321528 261174030 /nfs/dbraw/zinc/17/40/30/261174030.db2.gz QMYFTYLABOJWKZ-JSGCOSHPSA-N 1 1 311.386 0.426 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000362135771 262002888 /nfs/dbraw/zinc/00/28/88/262002888.db2.gz JNNJSXZVPUFHIY-LLVKDONJSA-N 1 1 305.342 0.832 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000362135771 262002890 /nfs/dbraw/zinc/00/28/90/262002890.db2.gz JNNJSXZVPUFHIY-LLVKDONJSA-N 1 1 305.342 0.832 20 5 DCBDMO O=C(CC[N@H+](CCO)CCCO)Nc1ccc([N+](=O)[O-])cc1 ZINC000411250087 262168380 /nfs/dbraw/zinc/16/83/80/262168380.db2.gz DZOGQHAVZKZWPI-UHFFFAOYSA-N 1 1 311.338 0.600 20 5 DCBDMO C[C@H](CO)[N@H+]1CCCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420612859 262378493 /nfs/dbraw/zinc/37/84/93/262378493.db2.gz PYXFKINMPVMXIK-LLVKDONJSA-N 1 1 322.365 0.587 20 5 DCBDMO COc1ccc(OCC[N@@H+]2C[C@H](CO)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000459714471 272006708 /nfs/dbraw/zinc/00/67/08/272006708.db2.gz UTLCUDQKPDSKGJ-ZWNOBZJWSA-N 1 1 312.322 0.267 20 5 DCBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000488709772 272048282 /nfs/dbraw/zinc/04/82/82/272048282.db2.gz CNWDFSDEOYZQOU-CYBMUJFWSA-N 1 1 323.397 0.976 20 5 DCBDMO CN1C[C@H](C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)OC1=O ZINC000495650191 272262025 /nfs/dbraw/zinc/26/20/25/272262025.db2.gz HAPNQTQEONJHMV-CMPLNLGQSA-N 1 1 321.337 0.927 20 5 DCBDMO COCC[N@@H+]1[C@H](C)CN(c2ncc([N+](=O)[O-])c(N)n2)C[C@@H]1C ZINC000131977128 274035447 /nfs/dbraw/zinc/03/54/47/274035447.db2.gz CSUOIRRRBCCCTG-AOOOYVTPSA-N 1 1 310.358 0.512 20 5 DCBDMO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000555290532 288347984 /nfs/dbraw/zinc/34/79/84/288347984.db2.gz MBAXXZWHVZLUIS-JTQLQIEISA-N 1 1 310.358 0.074 20 5 DCBDMO Cc1cnc(N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c([N+](=O)[O-])c1 ZINC000584282332 332210487 /nfs/dbraw/zinc/21/04/87/332210487.db2.gz ZFVLTFIVNVHERP-LBPRGKRZSA-N 1 1 319.365 0.699 20 5 DCBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000330859333 533897964 /nfs/dbraw/zinc/89/79/64/533897964.db2.gz RFUARFQSYNWHST-CABZTGNLSA-N 1 1 307.354 0.984 20 5 DCBDMO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000157646559 521674391 /nfs/dbraw/zinc/67/43/91/521674391.db2.gz SGAFIUPVFLVLJN-LLVKDONJSA-N 1 1 316.383 0.690 20 5 DCBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000157646559 521674397 /nfs/dbraw/zinc/67/43/97/521674397.db2.gz SGAFIUPVFLVLJN-LLVKDONJSA-N 1 1 316.383 0.690 20 5 DCBDMO C[N@@H+]1CCO[C@H](C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000188560999 523945402 /nfs/dbraw/zinc/94/54/02/523945402.db2.gz XYUASHKIKRKNIJ-AWEZNQCLSA-N 1 1 321.333 0.515 20 5 DCBDMO C[N@H+]1CCO[C@H](C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000188560999 523945405 /nfs/dbraw/zinc/94/54/05/523945405.db2.gz XYUASHKIKRKNIJ-AWEZNQCLSA-N 1 1 321.333 0.515 20 5 DCBDMO Cc1nn(CCC(=O)NCC(F)(F)C[NH3+])c(C)c1[N+](=O)[O-] ZINC000190259399 526277592 /nfs/dbraw/zinc/27/75/92/526277592.db2.gz XOFGNNXSPGIZCX-UHFFFAOYSA-N 1 1 305.285 0.508 20 5 DCBDMO O=C(C[N@H+]1CC[C@H](CO)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000266908118 526805691 /nfs/dbraw/zinc/80/56/91/526805691.db2.gz IFQZOCOZCXIBQE-NSHDSACASA-N 1 1 305.334 0.798 20 5 DCBDMO O=C(C[N@@H+]1CC[C@H](CO)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000266908118 526805696 /nfs/dbraw/zinc/80/56/96/526805696.db2.gz IFQZOCOZCXIBQE-NSHDSACASA-N 1 1 305.334 0.798 20 5 DCBDMO O=C(COc1cccc([N+](=O)[O-])c1)NCC[N@H+]1CCCOCC1 ZINC000189405624 526978024 /nfs/dbraw/zinc/97/80/24/526978024.db2.gz XNTCULIWCDRGTL-UHFFFAOYSA-N 1 1 323.349 0.812 20 5 DCBDMO COCC[N@@H+](C)CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736990616 598395005 /nfs/dbraw/zinc/39/50/05/598395005.db2.gz SBHBSPMEBSLLMA-UHFFFAOYSA-N 1 1 321.341 0.765 20 5 DCBDMO CC(C)[N@@H+](C)CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820112313 606706298 /nfs/dbraw/zinc/70/62/98/606706298.db2.gz RAJDYEKMZUUSNE-UHFFFAOYSA-N 1 1 306.330 0.922 20 5 DCBDMO CC[N@H+]1C[C@H](C)[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821240276 606731102 /nfs/dbraw/zinc/73/11/02/606731102.db2.gz FYOUBBLLEFINDW-GZMMTYOYSA-N 1 1 318.341 0.922 20 5 DCBDMO Cc1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC001022063684 658815012 /nfs/dbraw/zinc/81/50/12/658815012.db2.gz GVMWEHZRGIIBSS-YVECIDJPSA-N 1 1 305.338 0.187 20 5 DCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000913285208 664297967 /nfs/dbraw/zinc/29/79/67/664297967.db2.gz RWCUWLVVEQQFKE-OKILXGFUSA-N 1 1 307.354 0.742 20 5 DCBDMO CNC(=O)CCC[N@H+](C)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000156997319 664409474 /nfs/dbraw/zinc/40/94/74/664409474.db2.gz LBDOZVIGJHNDKA-UHFFFAOYSA-N 1 1 322.321 0.918 20 5 DCBDMO CNC(=O)CCC[N@@H+](C)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000156997319 664409476 /nfs/dbraw/zinc/40/94/76/664409476.db2.gz LBDOZVIGJHNDKA-UHFFFAOYSA-N 1 1 322.321 0.918 20 5 DCBDMO Cc1cc(C)n(CC[NH+]2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001031662759 665274458 /nfs/dbraw/zinc/27/44/58/665274458.db2.gz LNIIHXWKFJWTEY-ZIAGYGMSSA-N 1 1 321.381 0.213 20 5 DCBDMO Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)no1 ZINC000997768987 665335926 /nfs/dbraw/zinc/33/59/26/665335926.db2.gz LYTCJJQTEQWBST-ZIAGYGMSSA-N 1 1 322.365 0.976 20 5 DCBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000862107995 667018404 /nfs/dbraw/zinc/01/84/04/667018404.db2.gz RMRRFJJYQPZUFM-UHFFFAOYSA-N 1 1 320.349 0.770 20 5 DCBDMO C[C@H](O)C[NH+]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865505314 667328931 /nfs/dbraw/zinc/32/89/31/667328931.db2.gz DLILYBIXEKBQPC-JTQLQIEISA-N 1 1 313.329 0.729 20 5 DCBDMO C[NH+]1CCN(C(=O)CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000744272362 667824852 /nfs/dbraw/zinc/82/48/52/667824852.db2.gz OUUSSPBWBBWRQT-UHFFFAOYSA-N 1 1 321.337 0.490 20 5 DCBDMO C[N@@H+](CCN1CCOCC1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582107 668878373 /nfs/dbraw/zinc/87/83/73/668878373.db2.gz QLPJAUUETBULQP-OAHLLOKOSA-N 1 1 309.366 0.892 20 5 DCBDMO C[C@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000777832872 668892137 /nfs/dbraw/zinc/89/21/37/668892137.db2.gz WQPJPQODJZOVOV-NSHDSACASA-N 1 1 305.338 0.745 20 5 DCBDMO C[C@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])CC[N@H+]1CCO ZINC000777832872 668892138 /nfs/dbraw/zinc/89/21/38/668892138.db2.gz WQPJPQODJZOVOV-NSHDSACASA-N 1 1 305.338 0.745 20 5 DCBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2CCn1cc([N+](=O)[O-])ccc1=O ZINC000880137929 669163900 /nfs/dbraw/zinc/16/39/00/669163900.db2.gz MYTYYUQTADLUKI-KGLIPLIRSA-N 1 1 306.366 0.925 20 5 DCBDMO CN1C[C@]2(C)C[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@]2(C)C1 ZINC000931309637 669176100 /nfs/dbraw/zinc/17/61/00/669176100.db2.gz FFJORIVZQXHPPC-RBSFLKMASA-N 1 1 323.397 0.426 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+](C)[C@H](CO)C1 ZINC000931406752 669194888 /nfs/dbraw/zinc/19/48/88/669194888.db2.gz PTCPEFZFMTZNQJ-ZDUSSCGKSA-N 1 1 322.365 0.450 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@H+](C)[C@H](CO)C1 ZINC000931406752 669194891 /nfs/dbraw/zinc/19/48/91/669194891.db2.gz PTCPEFZFMTZNQJ-ZDUSSCGKSA-N 1 1 322.365 0.450 20 5 DCBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2CCn1cc([N+](=O)[O-])ccc1=O ZINC000931720989 669254224 /nfs/dbraw/zinc/25/42/24/669254224.db2.gz FLXVPCNKXSJGIP-QWHCGFSZSA-N 1 1 306.366 0.925 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)CC[C@@H]21 ZINC000881438911 669343289 /nfs/dbraw/zinc/34/32/89/669343289.db2.gz IYYKZIBZZYEBLC-SKDRFNHKSA-N 1 1 306.322 0.862 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000934572508 669616420 /nfs/dbraw/zinc/61/64/20/669616420.db2.gz AXSHXDZDADUSHS-CABZTGNLSA-N 1 1 307.354 0.699 20 5 DCBDMO Cc1nn(CN2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000795692389 669908133 /nfs/dbraw/zinc/90/81/33/669908133.db2.gz PKCOGTJDUCGPMZ-YPMHNXCESA-N 1 1 309.370 0.852 20 5 DCBDMO O=[N+]([O-])c1ccc([C@@H](O)CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000847046454 670513706 /nfs/dbraw/zinc/51/37/06/670513706.db2.gz VYBDHAQZJQLFLF-ZNMIVQPWSA-N 1 1 307.350 0.379 20 5 DCBDMO C[C@]1(CO)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000859823377 671148834 /nfs/dbraw/zinc/14/88/34/671148834.db2.gz CPYALYMFJBRDBI-HRCADAONSA-N 1 1 324.377 0.941 20 5 DCBDMO Cc1nn(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000853555543 671243533 /nfs/dbraw/zinc/24/35/33/671243533.db2.gz KZRRUKWXDIFBQD-NEPJUHHUSA-N 1 1 307.354 0.966 20 5 DCBDMO Cc1nn(C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000853555543 671243535 /nfs/dbraw/zinc/24/35/35/671243535.db2.gz KZRRUKWXDIFBQD-NEPJUHHUSA-N 1 1 307.354 0.966 20 5 DCBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC([NH+](C)C)C2)cc1F ZINC000867055629 671554238 /nfs/dbraw/zinc/55/42/38/671554238.db2.gz OLBFZMGQQMYGCZ-UHFFFAOYSA-N 1 1 317.342 0.977 20 5 DCBDMO C[C@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000830014563 671604468 /nfs/dbraw/zinc/60/44/68/671604468.db2.gz WVKHLYRQBRRETP-FZMZJTMJSA-N 1 1 323.349 0.153 20 5 DCBDMO C[C@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000830014563 671604470 /nfs/dbraw/zinc/60/44/70/671604470.db2.gz WVKHLYRQBRRETP-FZMZJTMJSA-N 1 1 323.349 0.153 20 5 DCBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000837190768 671850459 /nfs/dbraw/zinc/85/04/59/671850459.db2.gz MBNOILKTDCUTRZ-SMDDNHRTSA-N 1 1 323.349 0.153 20 5 DCBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000837190768 671850461 /nfs/dbraw/zinc/85/04/61/671850461.db2.gz MBNOILKTDCUTRZ-SMDDNHRTSA-N 1 1 323.349 0.153 20 5 DCBDMO CC(C)[N@H+]1CCCC[C@@H]1COC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000837451849 671862790 /nfs/dbraw/zinc/86/27/90/671862790.db2.gz NPVNETSDRGZXPX-LLVKDONJSA-N 1 1 311.342 0.992 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1-c1noc(C[NH2+]C[C@H]2CCCO2)n1 ZINC000843222854 672072244 /nfs/dbraw/zinc/07/22/44/672072244.db2.gz LIHVREFDMNWUIV-MRVPVSSYSA-N 1 1 308.298 0.647 20 5 DCBDMO C[C@H]([NH3+])c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000843225432 672072278 /nfs/dbraw/zinc/07/22/78/672072278.db2.gz ZXRBTAMEJWUFQV-QMMMGPOBSA-N 1 1 305.294 0.856 20 5 DCBDMO Cc1cc(F)cc(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000846515240 672323469 /nfs/dbraw/zinc/32/34/69/672323469.db2.gz JAXYBQTZYCPBLX-GFCCVEGCSA-N 1 1 323.324 0.933 20 5 DCBDMO Cc1cc(F)cc(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000846515240 672323472 /nfs/dbraw/zinc/32/34/72/672323472.db2.gz JAXYBQTZYCPBLX-GFCCVEGCSA-N 1 1 323.324 0.933 20 5 DCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](Cc1ccccn1)C2 ZINC001072726860 694657544 /nfs/dbraw/zinc/65/75/44/694657544.db2.gz VBKCYEKYYRXRSZ-ZIAGYGMSSA-N 1 1 316.361 0.781 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@H+](Cc1ccccn1)C2 ZINC001072726860 694657546 /nfs/dbraw/zinc/65/75/46/694657546.db2.gz VBKCYEKYYRXRSZ-ZIAGYGMSSA-N 1 1 316.361 0.781 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](Cc1ccccn1)C2 ZINC001072726860 694657548 /nfs/dbraw/zinc/65/75/48/694657548.db2.gz VBKCYEKYYRXRSZ-ZIAGYGMSSA-N 1 1 316.361 0.781 20 5 DCBDMO CN(CCC[NH2+]CCC1CCOCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001754370968 1157716199 /nfs/dbraw/zinc/71/61/99/1157716199.db2.gz SKBKGYIPQVGLNA-ZIAGYGMSSA-N 1 1 313.398 0.906 20 5 DCBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001566330760 1159972583 /nfs/dbraw/zinc/97/25/83/1159972583.db2.gz OFUWHKYETCKTRH-GZMMTYOYSA-N 1 1 305.338 0.785 20 5 DCBDMO CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cc(C)no1 ZINC001566550395 1160054811 /nfs/dbraw/zinc/05/48/11/1160054811.db2.gz HEAIHAASTYUQGW-CHWSQXEVSA-N 1 1 310.354 0.976 20 5 DCBDMO CC[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cc(C)no1 ZINC001566550395 1160054819 /nfs/dbraw/zinc/05/48/19/1160054819.db2.gz HEAIHAASTYUQGW-CHWSQXEVSA-N 1 1 310.354 0.976 20 5 DCBDMO CC[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cc(C)no1 ZINC001566550395 1160054830 /nfs/dbraw/zinc/05/48/30/1160054830.db2.gz HEAIHAASTYUQGW-CHWSQXEVSA-N 1 1 310.354 0.976 20 5 DCBDMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001566970264 1160198224 /nfs/dbraw/zinc/19/82/24/1160198224.db2.gz OVGWMBVQLVLDBK-HBYGRHMLSA-N 1 1 318.333 0.017 20 5 DCBDMO CN(CCC[NH2+]CCc1ccns1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001569202055 1160977442 /nfs/dbraw/zinc/97/74/42/1160977442.db2.gz TUYGFFZAFDEHGO-VXGBXAGGSA-N 1 1 312.395 0.789 20 5 DCBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC001578523542 1165040251 /nfs/dbraw/zinc/04/02/51/1165040251.db2.gz MNAINYPOYLVXQC-HZUKXOBISA-N 1 1 318.377 0.931 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC001579241917 1165247785 /nfs/dbraw/zinc/24/77/85/1165247785.db2.gz IVUCHLGFTVFZAC-SECBINFHSA-N 1 1 323.305 0.329 20 5 DCBDMO CO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001591472011 1167300512 /nfs/dbraw/zinc/30/05/12/1167300512.db2.gz IXSDETQXDOGCAO-ZYHUDNBSSA-N 1 1 320.309 0.278 20 5 DCBDMO COc1ccc(CNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)cc1[N+](=O)[O-] ZINC001596969933 1167998708 /nfs/dbraw/zinc/99/87/08/1167998708.db2.gz BPFZBJNYKUZRFP-XHDPSFHLSA-N 1 1 323.349 0.675 20 5 DCBDMO C[N@@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])CC(C)(C)O ZINC001604794776 1169685387 /nfs/dbraw/zinc/68/53/87/1169685387.db2.gz HOTYYZCMXBVGIZ-UHFFFAOYSA-N 1 1 306.326 0.978 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)n1 ZINC001626953920 1171493405 /nfs/dbraw/zinc/49/34/05/1171493405.db2.gz HBQKSKPNFPCYRM-DGCLKSJQSA-N 1 1 320.349 0.579 20 5 DCBDMO Cn1cc([N+](=O)[O-])c(NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)n1 ZINC001640050806 1171863552 /nfs/dbraw/zinc/86/35/52/1171863552.db2.gz FDWWLNHVWSTDJI-NSHDSACASA-N 1 1 322.369 0.435 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(c3nccc(C(N)=O)c3[N+](=O)[O-])CC[C@H]21 ZINC001640289206 1171873649 /nfs/dbraw/zinc/87/36/49/1171873649.db2.gz OXRWSJJYUGOUSA-MWLCHTKSSA-N 1 1 305.338 0.619 20 5 DCBDMO C[N@@H+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)[C@@H](CO)C1 ZINC001641533773 1171918700 /nfs/dbraw/zinc/91/87/00/1171918700.db2.gz OEHFLICSPDYPFH-SNVBAGLBSA-N 1 1 318.333 0.825 20 5 DCBDMO C[N@H+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)[C@@H](CO)C1 ZINC001641533773 1171918703 /nfs/dbraw/zinc/91/87/03/1171918703.db2.gz OEHFLICSPDYPFH-SNVBAGLBSA-N 1 1 318.333 0.825 20 5 DCBDMO CN(CC[N@@H+](C)CCO)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001647836404 1173057405 /nfs/dbraw/zinc/05/74/05/1173057405.db2.gz KPSBIMBXIMMEIJ-ZDUSSCGKSA-N 1 1 311.338 0.011 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@H](Nc3nccc(C(N)=O)c3[N+](=O)[O-])[C@@H]2C1 ZINC001651524639 1173750673 /nfs/dbraw/zinc/75/06/73/1173750673.db2.gz BWDZCIATFOZLIU-GDPRMGEGSA-N 1 1 305.338 0.841 20 5 DCBDMO COc1c(O)ccc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)c1[N+](=O)[O-] ZINC001652292527 1173767936 /nfs/dbraw/zinc/76/79/36/1173767936.db2.gz ZIMCCSBUMDAXGA-GZMMTYOYSA-N 1 1 309.322 0.923 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC001653197481 1173783391 /nfs/dbraw/zinc/78/33/91/1173783391.db2.gz CRZBMDWSHIEEJO-LBPRGKRZSA-N 1 1 322.369 0.636 20 5 DCBDMO O=C(CC[N@@H+]1C[C@H](CO)[C@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001654687926 1173809048 /nfs/dbraw/zinc/80/90/48/1173809048.db2.gz FLWINVCBQOACRI-ZWNOBZJWSA-N 1 1 309.322 0.208 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](CCO)CC2)c1 ZINC001654767412 1173811325 /nfs/dbraw/zinc/81/13/25/1173811325.db2.gz QVUBTSNPAWJDLC-GXTWGEPZSA-N 1 1 312.370 0.637 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@]3(CO)CCC[C@@H]23)c1 ZINC001655627437 1173823952 /nfs/dbraw/zinc/82/39/52/1173823952.db2.gz DOMCLOHYAFYBIJ-MGPQQGTHSA-N 1 1 310.354 0.389 20 5 DCBDMO Cn1cc(C[NH+]2CCC(Cc3nncn3C)CC2)c([N+](=O)[O-])n1 ZINC001655642517 1173824501 /nfs/dbraw/zinc/82/45/01/1173824501.db2.gz MCTUMQGTMXUQTP-UHFFFAOYSA-N 1 1 319.369 0.912 20 5 DCBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@H](CO)[C@@H](CCO)C1 ZINC001655898380 1173829824 /nfs/dbraw/zinc/82/98/24/1173829824.db2.gz IJFZZGWFFJOKFI-QWHCGFSZSA-N 1 1 310.350 0.896 20 5 DCBDMO Cc1cc(C(=O)N(C)CC[NH2+]Cc2c([N+](=O)[O-])ncn2C)n[nH]1 ZINC001663837456 1174359695 /nfs/dbraw/zinc/35/96/95/1174359695.db2.gz GUNDPJRALSOTOB-UHFFFAOYSA-N 1 1 321.341 0.222 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C/C=C\CNC(=O)c1ccoc1 ZINC001668702646 1174823195 /nfs/dbraw/zinc/82/31/95/1174823195.db2.gz PRDFJJQYXCYUQB-IHWYPQMZSA-N 1 1 319.321 0.997 20 5 DCBDMO Cc1ccc(CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC001684705968 1176003452 /nfs/dbraw/zinc/00/34/52/1176003452.db2.gz ASAATGCZCQJFEC-CYBMUJFWSA-N 1 1 322.365 0.769 20 5 DCBDMO Cc1ncccc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001732848377 1186010761 /nfs/dbraw/zinc/01/07/61/1186010761.db2.gz LCPPLXZQVWXDQD-DTSKHDKYSA-N 1 1 304.350 0.817 20 5 DCBDMO CCn1nccc1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001126184849 748282489 /nfs/dbraw/zinc/28/24/89/748282489.db2.gz QXGPPHKLNBNBJP-UHFFFAOYSA-N 1 1 321.341 0.064 20 5 DCBDMO CC(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C[C@@H]2C1 ZINC001048685042 754863703 /nfs/dbraw/zinc/86/37/03/754863703.db2.gz KYRISAWPUNPGMY-TXEJJXNPSA-N 1 1 321.381 0.875 20 5 DCBDMO CC(C)C(=O)N1C[C@@H]2C[N@H+](Cc3c([N+](=O)[O-])ncn3C)C[C@@H]2C1 ZINC001048685042 754863705 /nfs/dbraw/zinc/86/37/05/754863705.db2.gz KYRISAWPUNPGMY-TXEJJXNPSA-N 1 1 321.381 0.875 20 5 DCBDMO Cc1ncc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC001086363341 760101077 /nfs/dbraw/zinc/10/10/77/760101077.db2.gz OSWWHXNOUPXLCF-FMKGYKFTSA-N 1 1 319.365 0.435 20 5 DCBDMO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ncn[nH]1 ZINC001168781771 760327448 /nfs/dbraw/zinc/32/74/48/760327448.db2.gz PUTPIXGWZBAXEZ-UHFFFAOYSA-N 1 1 310.339 0.684 20 5 DCBDMO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1nc[nH]n1 ZINC001168781771 760327460 /nfs/dbraw/zinc/32/74/60/760327460.db2.gz PUTPIXGWZBAXEZ-UHFFFAOYSA-N 1 1 310.339 0.684 20 5 DCBDMO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046275 760561725 /nfs/dbraw/zinc/56/17/25/760561725.db2.gz KFIWAKAPYSHGTL-UTUOFQBUSA-N 1 1 313.354 0.185 20 5 DCBDMO CCOCCCC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001123992728 768092234 /nfs/dbraw/zinc/09/22/34/768092234.db2.gz UBGQDJJZADIGED-UHFFFAOYSA-N 1 1 313.358 0.351 20 5 DCBDMO C[NH+]1CCN(C(=O)CNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001124073885 768118199 /nfs/dbraw/zinc/11/81/99/768118199.db2.gz SEKVLORIPUVKNY-UHFFFAOYSA-N 1 1 306.322 0.099 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1ccncc1F ZINC001125164047 768365856 /nfs/dbraw/zinc/36/58/56/768365856.db2.gz ALUWSXUWEOKJAZ-UHFFFAOYSA-N 1 1 322.300 0.382 20 5 DCBDMO COc1cc([N+](=O)[O-])cnc1N1CC[NH+](CCCCO)CC1 ZINC001120026807 766885923 /nfs/dbraw/zinc/88/59/23/766885923.db2.gz KIRBFTLZPPGYRL-UHFFFAOYSA-N 1 1 310.354 0.893 20 5 DCBDMO CC[N@@H+](C)CCC(=O)NCCNc1ncc([N+](=O)[O-])cc1F ZINC001093840831 768742156 /nfs/dbraw/zinc/74/21/56/768742156.db2.gz YRBWNBKGCQCVRV-UHFFFAOYSA-N 1 1 313.333 0.999 20 5 DCBDMO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C)C[C@@H](O)CO)c1F ZINC001173186281 769556367 /nfs/dbraw/zinc/55/63/67/769556367.db2.gz PKWQHLSGVFTHAQ-NXEZZACHSA-N 1 1 316.329 0.959 20 5 DCBDMO O=C1OC[C@@H]2C[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC001175113056 769860759 /nfs/dbraw/zinc/86/07/59/769860759.db2.gz XJCXBTDAHHNFIK-SRVKXCTJSA-N 1 1 322.317 0.439 20 5 DCBDMO CNC(=O)NC[C@@H]1CCCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC001175362510 769890167 /nfs/dbraw/zinc/89/01/67/769890167.db2.gz WAFSBKQKKJUDOE-LBPRGKRZSA-N 1 1 324.385 0.883 20 5 DCBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC001176902014 770242410 /nfs/dbraw/zinc/24/24/10/770242410.db2.gz FCKFFAYEWFCEKC-QWRGUYRKSA-N 1 1 305.338 0.881 20 5 DCBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCC1(N(C)C)CC[NH+](C)CC1 ZINC001156184886 770741905 /nfs/dbraw/zinc/74/19/05/770741905.db2.gz HTSVOJFAYCNTIM-UHFFFAOYSA-N 1 1 323.397 0.975 20 5 DCBDMO COc1ccnc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001157760324 771664437 /nfs/dbraw/zinc/66/44/37/771664437.db2.gz BYRLNWIAEQDPST-CHWSQXEVSA-N 1 1 308.338 0.351 20 5 DCBDMO O=C(NCCC[NH2+]CCOCc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001157767234 771665739 /nfs/dbraw/zinc/66/57/39/771665739.db2.gz JOIRVGFORZXPCA-HUUCEWRRSA-N 1 1 321.377 0.964 20 5 DCBDMO O=C(NCCC[NH2+]Cc1cc(C2CC2)no1)[C@@H]1CC1[N+](=O)[O-] ZINC001157766818 771666030 /nfs/dbraw/zinc/66/60/30/771666030.db2.gz ABKUGFIWDSZPAB-DGCLKSJQSA-N 1 1 308.338 0.813 20 5 DCBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[N@@H+]3CC[C@H]3C2)n1 ZINC001158430348 771773258 /nfs/dbraw/zinc/77/32/58/771773258.db2.gz DUTLNKOVZNDHRE-JTQLQIEISA-N 1 1 306.326 0.546 20 5 DCBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[N@H+]3CC[C@H]3C2)n1 ZINC001158430348 771773261 /nfs/dbraw/zinc/77/32/61/771773261.db2.gz DUTLNKOVZNDHRE-JTQLQIEISA-N 1 1 306.326 0.546 20 5 DCBDMO [NH3+][C@@H]1NCN(c2ccc3ccc4cccnc4c3n2)[C@@H]2NCN[C@@H]21 ZINC001162434973 772372220 /nfs/dbraw/zinc/37/22/20/772372220.db2.gz AXIMDNMVAFQOLC-ZACQAIPSSA-N 1 1 321.388 0.280 20 5 DCBDMO Cc1ncc([N+](=O)[O-])c(N2CC([C@H]([NH3+])C(=O)OC(C)(C)C)C2)n1 ZINC001163117472 772465603 /nfs/dbraw/zinc/46/56/03/772465603.db2.gz HNBYQUOOCDCYTF-NSHDSACASA-N 1 1 323.353 0.798 20 5 DCBDMO Cn1cc(NCC2([NH+](C)C)CCN(C)CC2)cc([N+](=O)[O-])c1=O ZINC001164210860 772626573 /nfs/dbraw/zinc/62/65/73/772626573.db2.gz KAXVMTHBCFELQZ-UHFFFAOYSA-N 1 1 323.397 0.731 20 5 DCBDMO Cn1ccc(C[NH2+]CC2(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001164490668 772668233 /nfs/dbraw/zinc/66/82/33/772668233.db2.gz QLXJHEMOIDLXLA-CHWSQXEVSA-N 1 1 321.381 0.461 20 5 DCBDMO NC(=O)[C@@H]1CN(c2ccc3ccc([N+](=O)[O-])cc3n2)CC[NH2+]1 ZINC001166723389 772849500 /nfs/dbraw/zinc/84/95/00/772849500.db2.gz BLZDARWWZNBLOZ-LBPRGKRZSA-N 1 1 301.306 0.407 20 5 DCBDMO NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001198328683 773901175 /nfs/dbraw/zinc/90/11/75/773901175.db2.gz WEGCGJDCTVCAOG-SECBINFHSA-N 1 1 300.340 0.100 20 5 DCBDMO NS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001198328683 773901179 /nfs/dbraw/zinc/90/11/79/773901179.db2.gz WEGCGJDCTVCAOG-SECBINFHSA-N 1 1 300.340 0.100 20 5 DCBDMO Cc1cc(C)n(CC[N@@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001480862835 939033351 /nfs/dbraw/zinc/03/33/51/939033351.db2.gz FVCIEYKAJIHIDI-CHWSQXEVSA-N 1 1 309.370 0.213 20 5 DCBDMO Cc1cc(C)n(CC[N@H+](C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001480862835 939033357 /nfs/dbraw/zinc/03/33/57/939033357.db2.gz FVCIEYKAJIHIDI-CHWSQXEVSA-N 1 1 309.370 0.213 20 5 DCBDMO Cc1cc(C)n(CC[N@@H+](C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001480862835 939033362 /nfs/dbraw/zinc/03/33/62/939033362.db2.gz FVCIEYKAJIHIDI-CHWSQXEVSA-N 1 1 309.370 0.213 20 5 DCBDMO Cc1nn(C)cc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001268541639 940225610 /nfs/dbraw/zinc/22/56/10/940225610.db2.gz LMOSNUGZLMXPBS-FGTRRKKMSA-N 1 1 307.354 0.156 20 5 DCBDMO Cn1cncc1C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001482218636 940708722 /nfs/dbraw/zinc/70/87/22/940708722.db2.gz SAOWZAFHGNVBNS-CHWSQXEVSA-N 1 1 321.381 0.604 20 5 DCBDMO CN(CC(C)(C)C[NH2+]CCn1cncn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001485250925 943772112 /nfs/dbraw/zinc/77/21/12/943772112.db2.gz UJCNXJXYFAKIIQ-VXGBXAGGSA-N 1 1 324.385 0.018 20 5 DCBDMO O=C(NCC[NH+]1CC=CC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001322269281 946634484 /nfs/dbraw/zinc/63/44/84/946634484.db2.gz BRIRXLPDUXZTEB-UHFFFAOYSA-N 1 1 319.317 0.968 20 5 DCBDMO C[C@@H]1C[C@H](N(C)C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC001324267989 947373467 /nfs/dbraw/zinc/37/34/67/947373467.db2.gz SZCMZCRRZJWRHB-VXGBXAGGSA-N 1 1 322.365 0.698 20 5 DCBDMO CC[N@H+]1CCCN(c2nnc(C[N+](=O)[O-])n2CC2CC2)CC1 ZINC001345150896 953600459 /nfs/dbraw/zinc/60/04/59/953600459.db2.gz JTHWZSVEZVZADD-UHFFFAOYSA-N 1 1 308.386 0.997 20 5 DCBDMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001347519067 954109884 /nfs/dbraw/zinc/10/98/84/954109884.db2.gz ZSGVBQIULIQOHI-FZMZJTMJSA-N 1 1 304.350 0.599 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001348128474 954204054 /nfs/dbraw/zinc/20/40/54/954204054.db2.gz VQCFVCPPRPPFGP-GRYCIOLGSA-N 1 1 307.354 0.556 20 5 DCBDMO C[NH+]1CCN(C(=O)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC001348228132 954238791 /nfs/dbraw/zinc/23/87/91/954238791.db2.gz HRDDJKZNHQXMPU-UHFFFAOYSA-N 1 1 324.312 0.238 20 5 DCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC001350442692 955095291 /nfs/dbraw/zinc/09/52/91/955095291.db2.gz GFIODZGHLDGQFE-UHFFFAOYSA-N 1 1 323.353 0.265 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC001351259375 955274434 /nfs/dbraw/zinc/27/44/34/955274434.db2.gz DTDKWJSUOWJOKY-NSHDSACASA-N 1 1 309.370 0.948 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC001353286911 956006364 /nfs/dbraw/zinc/00/63/64/956006364.db2.gz YWADLRCOPRGMSX-WCFLWFBJSA-N 1 1 321.381 0.983 20 5 DCBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC001302246742 960016866 /nfs/dbraw/zinc/01/68/66/960016866.db2.gz BZVYCGQBFGLXAX-VIFPVBQESA-N 1 1 323.353 0.147 20 5 DCBDMO CON1CC[C@@H]([N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC001307546719 960154735 /nfs/dbraw/zinc/15/47/35/960154735.db2.gz YQOSKUGRXDSGNI-CMPLNLGQSA-N 1 1 321.337 0.638 20 5 DCBDMO CON1CC[C@@H]([N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC001307546719 960154739 /nfs/dbraw/zinc/15/47/39/960154739.db2.gz YQOSKUGRXDSGNI-CMPLNLGQSA-N 1 1 321.337 0.638 20 5 DCBDMO COCCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001465541644 1016009135 /nfs/dbraw/zinc/00/91/35/1016009135.db2.gz OMFCGTQRLFPFRK-UHFFFAOYSA-N 1 1 310.354 0.996 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CCC[N@H+]2CCCO)n1 ZINC001468318132 1016243980 /nfs/dbraw/zinc/24/39/80/1016243980.db2.gz YPIFPXYGGKTKEX-GFCCVEGCSA-N 1 1 322.365 0.875 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC001473390247 1016927842 /nfs/dbraw/zinc/92/78/42/1016927842.db2.gz DHXNYBAZUVZGGT-LOWVWBTDSA-N 1 1 307.354 0.686 20 5 DCBDMO CC1(C)C[C@H](O)CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001473476855 1016935374 /nfs/dbraw/zinc/93/53/74/1016935374.db2.gz QIMDVQHNMWTGOR-OLZOCXBDSA-N 1 1 312.370 0.635 20 5 DCBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@H](CCO)[C@H](CO)C2)c1 ZINC001473892988 1016986139 /nfs/dbraw/zinc/98/61/39/1016986139.db2.gz MSVTYSVNFNKHDC-KCQAQPDRSA-N 1 1 310.350 0.551 20 5 DCBDMO CCc1ccc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)cc1[N+](=O)[O-] ZINC001454775949 1009309138 /nfs/dbraw/zinc/30/91/38/1009309138.db2.gz IZESQYKEROXPIO-OAHLLOKOSA-N 1 1 323.349 0.238 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001442676084 1009610114 /nfs/dbraw/zinc/61/01/14/1009610114.db2.gz ZLDBBDDJHUIOBD-VXGBXAGGSA-N 1 1 323.353 0.079 20 5 DCBDMO Nc1cc([N+](=O)[O-])ccc1C(=O)NCC[NH+]1CCSCC1 ZINC001443755936 1010635134 /nfs/dbraw/zinc/63/51/34/1010635134.db2.gz TZQOUHGXLIOJMA-UHFFFAOYSA-N 1 1 310.379 0.956 20 5 DCBDMO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc21)N1CC([NH2+]C2COC2)C1 ZINC001456508063 1011311979 /nfs/dbraw/zinc/31/19/79/1011311979.db2.gz ARRKBNCEYOYIEZ-UHFFFAOYSA-N 1 1 316.317 0.889 20 5 DCBDMO Cc1nc(N2CCC[N@@H+](CC(=O)N(C)C)CC2)ncc1[N+](=O)[O-] ZINC001458609765 1012230085 /nfs/dbraw/zinc/23/00/85/1012230085.db2.gz YVULSHOPFKQGCZ-UHFFFAOYSA-N 1 1 322.369 0.294 20 5 DCBDMO Cc1nc(N2CCC[N@H+](CC(=O)N(C)C)CC2)ncc1[N+](=O)[O-] ZINC001458609765 1012230099 /nfs/dbraw/zinc/23/00/99/1012230099.db2.gz YVULSHOPFKQGCZ-UHFFFAOYSA-N 1 1 322.369 0.294 20 5 DCBDMO CCc1[nH+]ccn1CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001559280041 1012414775 /nfs/dbraw/zinc/41/47/75/1012414775.db2.gz OFBVZAPAYAPGPS-UHFFFAOYSA-N 1 1 304.310 0.960 20 5 DCBDMO COC1(OC)CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1O ZINC001560103410 1012440827 /nfs/dbraw/zinc/44/08/27/1012440827.db2.gz OOJFYRCDOLBRGR-NSHDSACASA-N 1 1 314.342 0.155 20 5 DCBDMO Nc1ncc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC001543013668 1012496999 /nfs/dbraw/zinc/49/69/99/1012496999.db2.gz SIQZKAWSUJNHRF-GHMZBOCLSA-N 1 1 305.338 0.929 20 5 DCBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H](O)C3(O)CCC3)C2)nc1 ZINC001459701283 1012817027 /nfs/dbraw/zinc/81/70/27/1012817027.db2.gz SRMTZGMPASOMDQ-DGCLKSJQSA-N 1 1 322.365 0.752 20 5 DCBDMO CNC(=O)C[N@@H+]1CCCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC001460806410 1012974170 /nfs/dbraw/zinc/97/41/70/1012974170.db2.gz GNPVNMCCFXOSHY-UHFFFAOYSA-N 1 1 307.354 0.244 20 5 DCBDMO CNC(=O)C[N@H+]1CCCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC001460806410 1012974182 /nfs/dbraw/zinc/97/41/82/1012974182.db2.gz GNPVNMCCFXOSHY-UHFFFAOYSA-N 1 1 307.354 0.244 20 5 DCBDMO C[C@@]12CSC[C@@H]1C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC001460898701 1012985006 /nfs/dbraw/zinc/98/50/06/1012985006.db2.gz HVKRYZQALRFGTN-CYZMBNFOSA-N 1 1 312.395 0.837 20 5 DCBDMO C[C@H]([NH2+]CC(=O)N1CCNC(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000180451421 199160031 /nfs/dbraw/zinc/16/00/31/199160031.db2.gz RPWOVMPYMTVZTF-JTQLQIEISA-N 1 1 306.322 0.204 20 5 DCBDMO COCC[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000281205529 216151161 /nfs/dbraw/zinc/15/11/61/216151161.db2.gz QAHDUBHKPLDXET-UHFFFAOYSA-N 1 1 307.350 0.928 20 5 DCBDMO COC(=O)[C@]1(C)C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000282730143 217207257 /nfs/dbraw/zinc/20/72/57/217207257.db2.gz MOFCLFYOWDUXNN-IAQYHMDHSA-N 1 1 323.349 0.888 20 5 DCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000266183123 205165863 /nfs/dbraw/zinc/16/58/63/205165863.db2.gz YZXBVFWTJKCHKP-CQSZACIVSA-N 1 1 306.366 0.499 20 5 DCBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000110994327 194379091 /nfs/dbraw/zinc/37/90/91/194379091.db2.gz RZEFPHSDCDADCI-LBPRGKRZSA-N 1 1 322.365 0.747 20 5 DCBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H](C)C1 ZINC000346154014 254016336 /nfs/dbraw/zinc/01/63/36/254016336.db2.gz ILBAIENOAIZIOQ-AVGNSLFASA-N 1 1 321.381 0.980 20 5 DCBDMO Cc1nn(CCC(=O)N2CC[N@@H+](C)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000330677425 220485495 /nfs/dbraw/zinc/48/54/95/220485495.db2.gz VCNFYWZYYOUVBP-JTQLQIEISA-N 1 1 309.370 0.961 20 5 DCBDMO Cc1nn(CCC(=O)N2CC[N@H+](C)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000330677425 220485498 /nfs/dbraw/zinc/48/54/98/220485498.db2.gz VCNFYWZYYOUVBP-JTQLQIEISA-N 1 1 309.370 0.961 20 5 DCBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000284793553 131112187 /nfs/dbraw/zinc/11/21/87/131112187.db2.gz MLFWOPIYCHCVPH-QWRGUYRKSA-N 1 1 323.353 0.909 20 5 DCBDMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000284793553 131112188 /nfs/dbraw/zinc/11/21/88/131112188.db2.gz MLFWOPIYCHCVPH-QWRGUYRKSA-N 1 1 323.353 0.909 20 5 DCBDMO COC(=O)CCNC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285251835 131151016 /nfs/dbraw/zinc/15/10/16/131151016.db2.gz HFDCMAITGLYKOW-UHFFFAOYSA-N 1 1 323.349 0.748 20 5 DCBDMO COC(=O)CCNC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285251835 131151017 /nfs/dbraw/zinc/15/10/17/131151017.db2.gz HFDCMAITGLYKOW-UHFFFAOYSA-N 1 1 323.349 0.748 20 5 DCBDMO C[C@@H](O)C[N@@H+](CCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000289361017 131377802 /nfs/dbraw/zinc/37/78/02/131377802.db2.gz AHCWOJIOIVIEDD-NEPJUHHUSA-N 1 1 314.338 0.010 20 5 DCBDMO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[NH2+]CC1 ZINC000237851567 296511130 /nfs/dbraw/zinc/51/11/30/296511130.db2.gz OZHDLKSFCNLJCG-UHFFFAOYSA-N 1 1 305.743 0.842 20 5 DCBDMO NC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[NH2+]1 ZINC000271490307 395868429 /nfs/dbraw/zinc/86/84/29/395868429.db2.gz KGXWBPXNKGTQMG-MRVPVSSYSA-N 1 1 316.264 0.460 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000068203739 396049074 /nfs/dbraw/zinc/04/90/74/396049074.db2.gz GDSNJABRTLEDTR-NWDGAFQWSA-N 1 1 307.354 0.843 20 5 DCBDMO COCC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000155507633 396053700 /nfs/dbraw/zinc/05/37/00/396053700.db2.gz HEOCGEWVAJSYOG-UHFFFAOYSA-N 1 1 317.367 0.451 20 5 DCBDMO COCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000155507633 396053703 /nfs/dbraw/zinc/05/37/03/396053703.db2.gz HEOCGEWVAJSYOG-UHFFFAOYSA-N 1 1 317.367 0.451 20 5 DCBDMO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176243832 396153123 /nfs/dbraw/zinc/15/31/23/396153123.db2.gz AGUUZRXGUJYYQD-NXEZZACHSA-N 1 1 304.372 0.545 20 5 DCBDMO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176243832 396153125 /nfs/dbraw/zinc/15/31/25/396153125.db2.gz AGUUZRXGUJYYQD-NXEZZACHSA-N 1 1 304.372 0.545 20 5 DCBDMO COC(=O)C[C@@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000179152915 396223434 /nfs/dbraw/zinc/22/34/34/396223434.db2.gz FCLGNOYTVILFRD-JQWIXIFHSA-N 1 1 312.326 0.180 20 5 DCBDMO Cc1c(NC(=O)CC[N@H+]2C[C@@H](O)C[C@H]2CO)cccc1[N+](=O)[O-] ZINC000186507280 396351205 /nfs/dbraw/zinc/35/12/05/396351205.db2.gz CXIZTZPXYIWEPS-RYUDHWBXSA-N 1 1 323.349 0.659 20 5 DCBDMO CN(CC(=O)NCC(F)(F)C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000190293225 396404496 /nfs/dbraw/zinc/40/44/96/396404496.db2.gz BQOPBLOURRNXEC-UHFFFAOYSA-N 1 1 302.281 0.741 20 5 DCBDMO C[C@@H](O)C[N@H+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)[C@H](C)C1 ZINC000192800160 396438129 /nfs/dbraw/zinc/43/81/29/396438129.db2.gz PPPFZLBHIDTBTL-GHMZBOCLSA-N 1 1 320.353 0.529 20 5 DCBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000290759597 396471894 /nfs/dbraw/zinc/47/18/94/396471894.db2.gz ZQDPNITXPNZCRS-UHFFFAOYSA-N 1 1 312.374 0.273 20 5 DCBDMO CN(CCCN(C)C(=O)c1n[nH]cc1[N+](=O)[O-])CC[NH+](C)C ZINC000290759597 396471896 /nfs/dbraw/zinc/47/18/96/396471896.db2.gz ZQDPNITXPNZCRS-UHFFFAOYSA-N 1 1 312.374 0.273 20 5 DCBDMO CO[C@@H]1COC[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000519652564 396522783 /nfs/dbraw/zinc/52/27/83/396522783.db2.gz YYTQTGKZUMRQCA-CHWSQXEVSA-N 1 1 309.322 0.561 20 5 DCBDMO NC(=O)C[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000588977095 396701642 /nfs/dbraw/zinc/70/16/42/396701642.db2.gz AMIAMVIYFROSMS-VIFPVBQESA-N 1 1 306.322 0.391 20 5 DCBDMO CC1(C)CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[N@H+]1CCO ZINC000302569650 396720368 /nfs/dbraw/zinc/72/03/68/396720368.db2.gz YLEALNXMLOZCPW-UHFFFAOYSA-N 1 1 320.353 0.530 20 5 DCBDMO O=[N+]([O-])c1cnn(CCNc2nc(N3CCOCC3)cc[nH+]2)c1 ZINC000610909950 396781330 /nfs/dbraw/zinc/78/13/30/396781330.db2.gz SMJRCPRNASINDB-UHFFFAOYSA-N 1 1 319.325 0.530 20 5 DCBDMO C[N@@H+](CCCO)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000304543555 396731398 /nfs/dbraw/zinc/73/13/98/396731398.db2.gz RYKFBYXBLUCKAR-UHFFFAOYSA-N 1 1 311.386 0.570 20 5 DCBDMO CC[C@H]([NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)NC ZINC000590663899 396822231 /nfs/dbraw/zinc/82/22/31/396822231.db2.gz NEVRQMAPCLCEAV-JTQLQIEISA-N 1 1 309.322 0.980 20 5 DCBDMO CN(CC(=O)NCC[N@H+]1CC[C@@H](O)C1)c1ccccc1[N+](=O)[O-] ZINC000600531190 396885822 /nfs/dbraw/zinc/88/58/22/396885822.db2.gz FIMXOEKNARUCCH-GFCCVEGCSA-N 1 1 322.365 0.214 20 5 DCBDMO Nc1c(C(=O)NCC[N@H+]2CC[C@H](O)C2)cc(F)cc1[N+](=O)[O-] ZINC000600807584 396945801 /nfs/dbraw/zinc/94/58/01/396945801.db2.gz IVKNSNCJWHBFBQ-VIFPVBQESA-N 1 1 312.301 0.113 20 5 DCBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000600809672 396948407 /nfs/dbraw/zinc/94/84/07/396948407.db2.gz WJIWFFVAADYYQL-VIFPVBQESA-N 1 1 323.305 0.120 20 5 DCBDMO COCC[N@@H+](C)C[C@H](O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000571416812 396950051 /nfs/dbraw/zinc/95/00/51/396950051.db2.gz IFIPJRQOYWCIJT-NSHDSACASA-N 1 1 314.338 0.921 20 5 DCBDMO Cn1ccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000591757753 396998453 /nfs/dbraw/zinc/99/84/53/396998453.db2.gz KICBQXZAZVSKLA-ZDUSSCGKSA-N 1 1 306.322 0.858 20 5 DCBDMO CS(=O)(=O)N1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000400276429 397318569 /nfs/dbraw/zinc/31/85/69/397318569.db2.gz ZEOKDJCVWHDTLS-SNVBAGLBSA-N 1 1 317.342 0.857 20 5 DCBDMO C[C@H](C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000593857056 397457842 /nfs/dbraw/zinc/45/78/42/397457842.db2.gz RTUJFLGTYCMWKY-XHDPSFHLSA-N 1 1 319.361 0.976 20 5 DCBDMO C[C@H](C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000593857056 397457844 /nfs/dbraw/zinc/45/78/44/397457844.db2.gz RTUJFLGTYCMWKY-XHDPSFHLSA-N 1 1 319.361 0.976 20 5 DCBDMO CC(=O)NC[C@@H]1CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602768585 397481193 /nfs/dbraw/zinc/48/11/93/397481193.db2.gz KBKKEHXIGFBDAQ-ZDUSSCGKSA-N 1 1 309.370 0.948 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000602779191 397482395 /nfs/dbraw/zinc/48/23/95/397482395.db2.gz BWQSXYFDRUCJOG-UHFFFAOYSA-N 1 1 318.337 0.252 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000602780099 397483157 /nfs/dbraw/zinc/48/31/57/397483157.db2.gz HGLXQDKFZORLDV-AWEZNQCLSA-N 1 1 323.397 0.754 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCSC[C@@H]1CCO ZINC000602786246 397485460 /nfs/dbraw/zinc/48/54/60/397485460.db2.gz DZUBSINVTZYZFR-NSHDSACASA-N 1 1 300.384 0.900 20 5 DCBDMO CC(=O)N1CC[C@H](C[N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602794145 397488054 /nfs/dbraw/zinc/48/80/54/397488054.db2.gz GMUCXZMRGHTJNM-CYBMUJFWSA-N 1 1 309.370 0.900 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2CCN(C3CCC3)CC2)c1 ZINC000579583805 397581846 /nfs/dbraw/zinc/58/18/46/397581846.db2.gz MQUKJRXMCUXCES-HNNXBMFYSA-N 1 1 323.397 0.759 20 5 DCBDMO CN(C)[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000579192518 397532248 /nfs/dbraw/zinc/53/22/48/397532248.db2.gz NZUADVJRBRDUTF-KBPBESRZSA-N 1 1 322.365 0.530 20 5 DCBDMO CN(C)[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000579192518 397532253 /nfs/dbraw/zinc/53/22/53/397532253.db2.gz NZUADVJRBRDUTF-KBPBESRZSA-N 1 1 322.365 0.530 20 5 DCBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000604436730 397640319 /nfs/dbraw/zinc/64/03/19/397640319.db2.gz HDJFELRZPVQGRV-LBPRGKRZSA-N 1 1 323.353 0.115 20 5 DCBDMO CC[C@](C)([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(N)=O ZINC000133291741 158318047 /nfs/dbraw/zinc/31/80/47/158318047.db2.gz KKCQZUVEVBNCDH-HNNXBMFYSA-N 1 1 320.349 0.728 20 5 DCBDMO O=C([C@H]1CSC[NH2+]1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000165537318 158364383 /nfs/dbraw/zinc/36/43/83/158364383.db2.gz IMDWVAGEAGXTNA-CYBMUJFWSA-N 1 1 322.390 0.906 20 5 DCBDMO Nc1ccc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000320727502 159011075 /nfs/dbraw/zinc/01/10/75/159011075.db2.gz DQSZZFURJZPPAW-NWDGAFQWSA-N 1 1 320.349 0.770 20 5 DCBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000330597112 159200338 /nfs/dbraw/zinc/20/03/38/159200338.db2.gz SGERXETZAYAAHR-GHMZBOCLSA-N 1 1 308.338 0.308 20 5 DCBDMO C[N@H+]1CCC[C@@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000151300349 287032790 /nfs/dbraw/zinc/03/27/90/287032790.db2.gz XLEDQQPWHUEUQM-NSHDSACASA-N 1 1 310.358 0.432 20 5 DCBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1COC[C@@H]1O ZINC000352797182 415322330 /nfs/dbraw/zinc/32/23/30/415322330.db2.gz IBPRVJPRGBAGRX-STQMWFEESA-N 1 1 309.322 0.615 20 5 DCBDMO COCC[N@@H+](CC(C)C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075637736 415453803 /nfs/dbraw/zinc/45/38/03/415453803.db2.gz NZQHMFGSMMNSCR-CYBMUJFWSA-N 1 1 300.359 0.757 20 5 DCBDMO COCC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H](C)C(N)=O ZINC000078533957 415465617 /nfs/dbraw/zinc/46/56/17/415465617.db2.gz XFNUVCFNHDMFEE-NSHDSACASA-N 1 1 311.338 0.796 20 5 DCBDMO COCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H](C)C(N)=O ZINC000078533957 415465623 /nfs/dbraw/zinc/46/56/23/415465623.db2.gz XFNUVCFNHDMFEE-NSHDSACASA-N 1 1 311.338 0.796 20 5 DCBDMO CCc1nn(C)c(NCC(=O)N2CC[NH+](CC)CC2)c1[N+](=O)[O-] ZINC000288871929 415697822 /nfs/dbraw/zinc/69/78/22/415697822.db2.gz LUSRTWZXEGOTLP-UHFFFAOYSA-N 1 1 324.385 0.467 20 5 DCBDMO C[C@H](C[NH+](C)C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000336839212 415829769 /nfs/dbraw/zinc/82/97/69/415829769.db2.gz OGPSZIKEQVEOEK-MRVPVSSYSA-N 1 1 305.331 0.962 20 5 DCBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000121173946 415796886 /nfs/dbraw/zinc/79/68/86/415796886.db2.gz HQSWWDKWCNGQOH-AAEUAGOBSA-N 1 1 322.365 0.555 20 5 DCBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000344424678 415912429 /nfs/dbraw/zinc/91/24/29/415912429.db2.gz MSTOKTPLYJRHND-TXEJJXNPSA-N 1 1 322.365 0.698 20 5 DCBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)[C@H](C)C1 ZINC000356894177 416000261 /nfs/dbraw/zinc/00/02/61/416000261.db2.gz KISMITZNQKIKRP-NXEZZACHSA-N 1 1 323.353 0.099 20 5 DCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)[C@H](C)C1 ZINC000356894177 416000264 /nfs/dbraw/zinc/00/02/64/416000264.db2.gz KISMITZNQKIKRP-NXEZZACHSA-N 1 1 323.353 0.099 20 5 DCBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000301732908 416090568 /nfs/dbraw/zinc/09/05/68/416090568.db2.gz ACTFDHAQPVHDMU-CQSZACIVSA-N 1 1 310.354 0.793 20 5 DCBDMO NC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000175253356 416101568 /nfs/dbraw/zinc/10/15/68/416101568.db2.gz PJMZLTUWDSCEOT-SNVBAGLBSA-N 1 1 320.349 0.781 20 5 DCBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@](F)(CO)C2)c1 ZINC000338586268 416111343 /nfs/dbraw/zinc/11/13/43/416111343.db2.gz DZLLIBHMUDRBAW-TZMCWYRMSA-N 1 1 314.313 0.741 20 5 DCBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@](F)(CO)C2)c1 ZINC000338586268 416111346 /nfs/dbraw/zinc/11/13/46/416111346.db2.gz DZLLIBHMUDRBAW-TZMCWYRMSA-N 1 1 314.313 0.741 20 5 DCBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000358041192 416174996 /nfs/dbraw/zinc/17/49/96/416174996.db2.gz GCXVXGQZLRNLDX-OAHLLOKOSA-N 1 1 318.333 0.873 20 5 DCBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000358052562 416177991 /nfs/dbraw/zinc/17/79/91/416177991.db2.gz FURIDJCAERPRED-CQSZACIVSA-N 1 1 319.321 0.268 20 5 DCBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000358065581 416186189 /nfs/dbraw/zinc/18/61/89/416186189.db2.gz LWRMSJWOJLNFPY-CQSZACIVSA-N 1 1 309.322 0.400 20 5 DCBDMO CNC(=O)[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000180250782 416196068 /nfs/dbraw/zinc/19/60/68/416196068.db2.gz GAWJYIOZSQTBIS-CQSZACIVSA-N 1 1 323.349 0.811 20 5 DCBDMO CNC(=O)[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000180250782 416196071 /nfs/dbraw/zinc/19/60/71/416196071.db2.gz GAWJYIOZSQTBIS-CQSZACIVSA-N 1 1 323.349 0.811 20 5 DCBDMO Cc1c(CNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000359553205 416350265 /nfs/dbraw/zinc/35/02/65/416350265.db2.gz RGKFEHKFIKXXTE-HNNXBMFYSA-N 1 1 322.365 0.769 20 5 DCBDMO CCc1nn(C)c(NCCC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000360892528 416415621 /nfs/dbraw/zinc/41/56/21/416415621.db2.gz NQHMZGSAXMARLG-UHFFFAOYSA-N 1 1 310.402 0.940 20 5 DCBDMO Cc1c(CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)cccc1[N+](=O)[O-] ZINC000360525423 416394620 /nfs/dbraw/zinc/39/46/20/416394620.db2.gz AUOCEQFVZAGXAS-OAHLLOKOSA-N 1 1 318.377 0.909 20 5 DCBDMO CNc1nccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000594236375 416558770 /nfs/dbraw/zinc/55/87/70/416558770.db2.gz NDMKCWYKDNORAR-MNOVXSKESA-N 1 1 319.365 1.388 20 5 DCBDMO O=[N+]([O-])c1cccc2ncnc(NCC[N@@H+]3CC[C@@H](O)C3)c21 ZINC000599176416 416609123 /nfs/dbraw/zinc/60/91/23/416609123.db2.gz UJMZZVSPSMYCIA-SNVBAGLBSA-N 1 1 303.322 1.017 20 5 DCBDMO C[N@H+]1CCN(CCNc2ccc(N)c([N+](=O)[O-])n2)CC1(C)C ZINC000596223664 416579474 /nfs/dbraw/zinc/57/94/74/416579474.db2.gz UIBHIEIGISHZNF-UHFFFAOYSA-N 1 1 308.386 1.010 20 5 DCBDMO CNc1nccc(C(=O)N2CC[N@@H+](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000563385231 416880093 /nfs/dbraw/zinc/88/00/93/416880093.db2.gz SRESMUALDWSXAU-SNVBAGLBSA-N 1 1 307.354 1.198 20 5 DCBDMO CC(C)[N@H+]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000438722435 287375310 /nfs/dbraw/zinc/37/53/10/287375310.db2.gz METXGVVZIRMUGY-CQSZACIVSA-N 1 1 311.386 0.568 20 5 DCBDMO CC(C)N1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000438722435 287375312 /nfs/dbraw/zinc/37/53/12/287375312.db2.gz METXGVVZIRMUGY-CQSZACIVSA-N 1 1 311.386 0.568 20 5 DCBDMO CC(C)N1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000438722435 287375314 /nfs/dbraw/zinc/37/53/14/287375314.db2.gz METXGVVZIRMUGY-CQSZACIVSA-N 1 1 311.386 0.568 20 5 DCBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](CO)CC(C)(C)C ZINC000451780210 417398126 /nfs/dbraw/zinc/39/81/26/417398126.db2.gz MTBAUURHOSYGFP-YPMHNXCESA-N 1 1 314.386 0.881 20 5 DCBDMO O=C1NC(=O)[C@@H]2C[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C[C@H]12 ZINC000451636393 417369712 /nfs/dbraw/zinc/36/97/12/417369712.db2.gz TZIFGQWRDGJOOE-OCAPTIKFSA-N 1 1 309.709 0.953 20 5 DCBDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C[C@H]12 ZINC000451636393 417369717 /nfs/dbraw/zinc/36/97/17/417369717.db2.gz TZIFGQWRDGJOOE-OCAPTIKFSA-N 1 1 309.709 0.953 20 5 DCBDMO CNc1nccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000574582355 417485423 /nfs/dbraw/zinc/48/54/23/417485423.db2.gz GVKNGTHMBQFYPC-NXEZZACHSA-N 1 1 307.354 1.244 20 5 DCBDMO CNc1nc(C(=O)NCC[N@@H+]2CCCOCC2)ccc1[N+](=O)[O-] ZINC000456029694 417624000 /nfs/dbraw/zinc/62/40/00/417624000.db2.gz RCLSLQIPRJEPKV-UHFFFAOYSA-N 1 1 323.353 0.484 20 5 DCBDMO CNc1nc(C(=O)NCC[N@H+]2CCCOCC2)ccc1[N+](=O)[O-] ZINC000456029694 417624003 /nfs/dbraw/zinc/62/40/03/417624003.db2.gz RCLSLQIPRJEPKV-UHFFFAOYSA-N 1 1 323.353 0.484 20 5 DCBDMO C[N@@H+]1CCO[C@H](C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000359630693 271135755 /nfs/dbraw/zinc/13/57/55/271135755.db2.gz FXDHTGNUKJYXQY-AWEZNQCLSA-N 1 1 321.333 0.646 20 5 DCBDMO C[N@H+]1CCO[C@H](C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000359630693 271135760 /nfs/dbraw/zinc/13/57/60/271135760.db2.gz FXDHTGNUKJYXQY-AWEZNQCLSA-N 1 1 321.333 0.646 20 5 DCBDMO CN1CCN(c2nc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])CC1 ZINC000276616178 276930607 /nfs/dbraw/zinc/93/06/07/276930607.db2.gz UARFXKAKQAXUEL-UHFFFAOYSA-N 1 1 320.397 0.493 20 5 DCBDMO Cn1cc[nH+]c1N1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000547760282 288076177 /nfs/dbraw/zinc/07/61/77/288076177.db2.gz JCUSGDRWYBYSLP-UHFFFAOYSA-N 1 1 305.298 0.014 20 5 DCBDMO COc1cc(C[NH2+]C(CO)CO)c([N+](=O)[O-])cc1OC(F)F ZINC000557827692 288432111 /nfs/dbraw/zinc/43/21/11/288432111.db2.gz MYRIIBCXSZYIPL-UHFFFAOYSA-N 1 1 322.264 0.648 20 5 DCBDMO NC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181531107 534454147 /nfs/dbraw/zinc/45/41/47/534454147.db2.gz VAKAYXCMWINYNK-CMPLNLGQSA-N 1 1 309.322 0.284 20 5 DCBDMO NC(=O)[C@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181531107 534454154 /nfs/dbraw/zinc/45/41/54/534454154.db2.gz VAKAYXCMWINYNK-CMPLNLGQSA-N 1 1 309.322 0.284 20 5 DCBDMO C[N@@H+](CCCn1ccnc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000130373532 522802914 /nfs/dbraw/zinc/80/29/14/522802914.db2.gz GYTBCFGOEOTPNB-ZDUSSCGKSA-N 1 1 308.342 0.371 20 5 DCBDMO C[N@@H+](CCc1ccccn1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266401818 522966913 /nfs/dbraw/zinc/96/69/13/522966913.db2.gz FCTGKRJMXQPPEH-AWEZNQCLSA-N 1 1 305.338 0.722 20 5 DCBDMO COCC[NH+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000136882585 523854555 /nfs/dbraw/zinc/85/45/55/523854555.db2.gz CMCXVGFVYNPVGO-HNNXBMFYSA-N 1 1 309.366 0.892 20 5 DCBDMO Cc1[nH]nc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000267363320 525465343 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COCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000982278640 661330441 /nfs/dbraw/zinc/33/04/41/661330441.db2.gz MGQIFOFSUKWLMJ-GBOPCIDUSA-N 1 1 311.382 0.468 20 5 DCBDMO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cncc(F)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983655319 662000671 /nfs/dbraw/zinc/00/06/71/662000671.db2.gz SJNLPITVSNKDKZ-ICGCDAGXSA-N 1 1 322.340 0.870 20 5 DCBDMO CCc1nn(C)c(N(C)CC(=O)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000894958228 662037220 /nfs/dbraw/zinc/03/72/20/662037220.db2.gz OHWWBZHMHMAPSM-UHFFFAOYSA-N 1 1 324.385 0.101 20 5 DCBDMO C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000896539477 662284617 /nfs/dbraw/zinc/28/46/17/662284617.db2.gz PCNIIYVTFVROCO-NEPJUHHUSA-N 1 1 300.403 0.572 20 5 DCBDMO C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC000896539477 662284620 /nfs/dbraw/zinc/28/46/20/662284620.db2.gz PCNIIYVTFVROCO-NEPJUHHUSA-N 1 1 300.403 0.572 20 5 DCBDMO C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC000896539477 662284622 /nfs/dbraw/zinc/28/46/22/662284622.db2.gz PCNIIYVTFVROCO-NEPJUHHUSA-N 1 1 300.403 0.572 20 5 DCBDMO C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000896579840 662295349 /nfs/dbraw/zinc/29/53/49/662295349.db2.gz JCUITAALVRKOMI-FZMZJTMJSA-N 1 1 306.366 0.959 20 5 DCBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000901135483 663324771 /nfs/dbraw/zinc/32/47/71/663324771.db2.gz NTXUBCCFWMEJOQ-YPMHNXCESA-N 1 1 307.354 0.924 20 5 DCBDMO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839707345 668135643 /nfs/dbraw/zinc/13/56/43/668135643.db2.gz SYFMGFQGHJJVEM-AAVRWANBSA-N 1 1 311.382 0.536 20 5 DCBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1C ZINC000924993738 668262009 /nfs/dbraw/zinc/26/20/09/668262009.db2.gz LVCSJZHRBQALJO-NWDGAFQWSA-N 1 1 322.365 0.456 20 5 DCBDMO CN1C(=O)[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@H]2C1=O ZINC000877720603 668642585 /nfs/dbraw/zinc/64/25/85/668642585.db2.gz SPJNRPFQCXDPCO-PHIMTYICSA-N 1 1 307.281 0.781 20 5 DCBDMO CN1C(=O)[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@H]2C1=O ZINC000877720603 668642586 /nfs/dbraw/zinc/64/25/86/668642586.db2.gz SPJNRPFQCXDPCO-PHIMTYICSA-N 1 1 307.281 0.781 20 5 DCBDMO COCC[NH+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776279160 668874585 /nfs/dbraw/zinc/87/45/85/668874585.db2.gz VXHIDHJSBNFZED-HNNXBMFYSA-N 1 1 309.366 0.892 20 5 DCBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H](O)C[C@]1(O)CCOC1)C2 ZINC000930099760 668956805 /nfs/dbraw/zinc/95/68/05/668956805.db2.gz NUTDUVTZCSLWQR-XJKSGUPXSA-N 1 1 322.361 0.855 20 5 DCBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H](O)C[C@]1(O)CCOC1)C2 ZINC000930099760 668956819 /nfs/dbraw/zinc/95/68/19/668956819.db2.gz NUTDUVTZCSLWQR-XJKSGUPXSA-N 1 1 322.361 0.855 20 5 DCBDMO O=[N+]([O-])c1cccc([C@H](O)CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)c1 ZINC000880070853 669154529 /nfs/dbraw/zinc/15/45/29/669154529.db2.gz XTFXZWOOJFEPEY-ARFHVFGLSA-N 1 1 321.377 0.769 20 5 DCBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2CCn1cc([N+](=O)[O-])ccc1=O ZINC000880137928 669163942 /nfs/dbraw/zinc/16/39/42/669163942.db2.gz MYTYYUQTADLUKI-KBPBESRZSA-N 1 1 306.366 0.925 20 5 DCBDMO C[N@@H+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1CO ZINC000931399197 669191064 /nfs/dbraw/zinc/19/10/64/669191064.db2.gz MESWJWYHGOLVCI-JTQLQIEISA-N 1 1 301.293 0.981 20 5 DCBDMO C[N@H+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1CO ZINC000931399197 669191068 /nfs/dbraw/zinc/19/10/68/669191068.db2.gz MESWJWYHGOLVCI-JTQLQIEISA-N 1 1 301.293 0.981 20 5 DCBDMO C[N@H+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000931398741 669191465 /nfs/dbraw/zinc/19/14/65/669191465.db2.gz UDVZXICAVFLDIQ-AWEZNQCLSA-N 1 1 309.366 0.972 20 5 DCBDMO CN1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000931398741 669191467 /nfs/dbraw/zinc/19/14/67/669191467.db2.gz UDVZXICAVFLDIQ-AWEZNQCLSA-N 1 1 309.366 0.972 20 5 DCBDMO CN1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000931398741 669191470 /nfs/dbraw/zinc/19/14/70/669191470.db2.gz UDVZXICAVFLDIQ-AWEZNQCLSA-N 1 1 309.366 0.972 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880530814 669227396 /nfs/dbraw/zinc/22/73/96/669227396.db2.gz TVDLXGKDUNZYGD-RISCZKNCSA-N 1 1 320.349 0.357 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880530814 669227397 /nfs/dbraw/zinc/22/73/97/669227397.db2.gz TVDLXGKDUNZYGD-RISCZKNCSA-N 1 1 320.349 0.357 20 5 DCBDMO O=[N+]([O-])c1ccn(CCN2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)n1 ZINC000934265111 669588521 /nfs/dbraw/zinc/58/85/21/669588521.db2.gz XIECKKBJPMJNSA-CHWSQXEVSA-N 1 1 309.370 0.322 20 5 DCBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H]3[C@H]2CCCN3CCO)n1 ZINC000934265111 669588524 /nfs/dbraw/zinc/58/85/24/669588524.db2.gz XIECKKBJPMJNSA-CHWSQXEVSA-N 1 1 309.370 0.322 20 5 DCBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H]3[C@H]2CCCN3CCO)n1 ZINC000934265111 669588528 /nfs/dbraw/zinc/58/85/28/669588528.db2.gz XIECKKBJPMJNSA-CHWSQXEVSA-N 1 1 309.370 0.322 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC000793922660 669756158 /nfs/dbraw/zinc/75/61/58/669756158.db2.gz ALPGWHNPIWDTFK-NEPJUHHUSA-N 1 1 321.381 0.937 20 5 DCBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000808160481 670393517 /nfs/dbraw/zinc/39/35/17/670393517.db2.gz VONZQLCEHSGYAY-VXGBXAGGSA-N 1 1 320.349 0.458 20 5 DCBDMO NC(=O)C[C@H]1CC[N@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000808228162 670401526 /nfs/dbraw/zinc/40/15/26/670401526.db2.gz RJCACARCLFLAEU-SECBINFHSA-N 1 1 320.305 0.658 20 5 DCBDMO NC(=O)C[C@H]1CC[N@@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000808228162 670401528 /nfs/dbraw/zinc/40/15/28/670401528.db2.gz RJCACARCLFLAEU-SECBINFHSA-N 1 1 320.305 0.658 20 5 DCBDMO CNC(=O)[C@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000817371201 670916482 /nfs/dbraw/zinc/91/64/82/670916482.db2.gz ZHWGQIFWVPPHSR-NSHDSACASA-N 1 1 303.322 0.970 20 5 DCBDMO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2nnc3n2CCC3)cc1 ZINC000818946270 671079335 /nfs/dbraw/zinc/07/93/35/671079335.db2.gz IQWQIQPWZFOGAA-LBPRGKRZSA-N 1 1 303.322 0.956 20 5 DCBDMO COC(=O)[C@]1(OC)CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000859558939 671126009 /nfs/dbraw/zinc/12/60/09/671126009.db2.gz OBUZUJCZFJMLCQ-HIFRSBDPSA-N 1 1 324.333 0.892 20 5 DCBDMO Cc1nn(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000853555549 671243789 /nfs/dbraw/zinc/24/37/89/671243789.db2.gz KZRRUKWXDIFBQD-NWDGAFQWSA-N 1 1 307.354 0.966 20 5 DCBDMO Cc1nn(C[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000853555549 671243792 /nfs/dbraw/zinc/24/37/92/671243792.db2.gz KZRRUKWXDIFBQD-NWDGAFQWSA-N 1 1 307.354 0.966 20 5 DCBDMO COCC[N@H+]1CCC[C@H]1COC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000861035472 671260885 /nfs/dbraw/zinc/26/08/85/671260885.db2.gz FVAMKXKPGOFGPP-JTQLQIEISA-N 1 1 312.326 0.596 20 5 DCBDMO O=C1NC(=O)[C@@H]2C[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C[C@H]12 ZINC000824893112 671443350 /nfs/dbraw/zinc/44/33/50/671443350.db2.gz KIJCSZOTKNWFBX-AOOOYVTPSA-N 1 1 309.709 0.953 20 5 DCBDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C[C@H]12 ZINC000824893112 671443351 /nfs/dbraw/zinc/44/33/51/671443351.db2.gz KIJCSZOTKNWFBX-AOOOYVTPSA-N 1 1 309.709 0.953 20 5 DCBDMO Nc1ccc(-c2noc(CN3CC[NH2+]CC3=O)n2)cc1[N+](=O)[O-] ZINC000843169744 672067174 /nfs/dbraw/zinc/06/71/74/672067174.db2.gz NAKZPQFDUXPNLS-UHFFFAOYSA-N 1 1 318.293 0.159 20 5 DCBDMO Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)ncn1 ZINC001020139859 693710588 /nfs/dbraw/zinc/71/05/88/693710588.db2.gz PGDBZLRIMBCYOW-FPQZTECRSA-N 1 1 305.338 0.187 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[N@H+](C2CC2)C[C@@H]1C ZINC001648857506 1157428343 /nfs/dbraw/zinc/42/83/43/1157428343.db2.gz HZQUDEMLDLXAGQ-JTQLQIEISA-N 1 1 307.354 0.795 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[N@@H+](C2CC2)C[C@@H]1C ZINC001648857506 1157428346 /nfs/dbraw/zinc/42/83/46/1157428346.db2.gz HZQUDEMLDLXAGQ-JTQLQIEISA-N 1 1 307.354 0.795 20 5 DCBDMO O=C(NCC1([NH2+]CCC2CCOCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001670782072 1158001070 /nfs/dbraw/zinc/00/10/70/1158001070.db2.gz ULZTUIJMLVBOEJ-CHWSQXEVSA-N 1 1 311.382 0.707 20 5 DCBDMO O=C(NC/C=C\C[NH2+]Cc1cncc(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC001568848530 1160812895 /nfs/dbraw/zinc/81/28/95/1160812895.db2.gz LXOBEYOKDCOEAO-IKGCNYHESA-N 1 1 308.313 0.648 20 5 DCBDMO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC001580810107 1165724307 /nfs/dbraw/zinc/72/43/07/1165724307.db2.gz HWIWFMYTGQCWGK-LLVKDONJSA-N 1 1 302.294 0.500 20 5 DCBDMO C[C@@H]1CC[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C[C@@H]1O ZINC001590271588 1166832441 /nfs/dbraw/zinc/83/24/41/1166832441.db2.gz IQDRFHPVVCUACL-RNCFNFMXSA-N 1 1 318.337 0.978 20 5 DCBDMO CC[N@H+]1CC[C@H]1CNc1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590731544 1166990541 /nfs/dbraw/zinc/99/05/41/1166990541.db2.gz WQXRREQGDXEDOR-VIFPVBQESA-N 1 1 304.314 0.676 20 5 DCBDMO COCC[N@@H+](C)CCNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001591420493 1167277939 /nfs/dbraw/zinc/27/79/39/1167277939.db2.gz ITNDTHODYXMADI-UHFFFAOYSA-N 1 1 321.341 0.765 20 5 DCBDMO C[C@H]1C[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC[C@@H]1O ZINC001609172888 1170840632 /nfs/dbraw/zinc/84/06/32/1170840632.db2.gz BCERFRYXTVVLJI-ZANVPECISA-N 1 1 318.337 0.978 20 5 DCBDMO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001620436482 1171402018 /nfs/dbraw/zinc/40/20/18/1171402018.db2.gz XRGQOKHXDYJMHQ-SMDDNHRTSA-N 1 1 309.322 0.011 20 5 DCBDMO C[C@]1(CO)C[C@H](O)C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001620436482 1171402021 /nfs/dbraw/zinc/40/20/21/1171402021.db2.gz XRGQOKHXDYJMHQ-SMDDNHRTSA-N 1 1 309.322 0.011 20 5 DCBDMO CO[C@H]1COCC[C@@H]1[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001620540555 1171404429 /nfs/dbraw/zinc/40/44/29/1171404429.db2.gz RPKNINUNWACOJV-JSGCOSHPSA-N 1 1 323.349 0.929 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC001631677499 1171598816 /nfs/dbraw/zinc/59/88/16/1171598816.db2.gz MIQJFFMPPWOSPT-NWDGAFQWSA-N 1 1 306.322 0.189 20 5 DCBDMO C[N@@H+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)C[C@@H]1CO ZINC001635450700 1171703961 /nfs/dbraw/zinc/70/39/61/1171703961.db2.gz NNJIBCBQGLMZGS-SNVBAGLBSA-N 1 1 318.333 0.825 20 5 DCBDMO C[N@H+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)C[C@@H]1CO ZINC001635450700 1171703966 /nfs/dbraw/zinc/70/39/66/1171703966.db2.gz NNJIBCBQGLMZGS-SNVBAGLBSA-N 1 1 318.333 0.825 20 5 DCBDMO Nc1ncc(C(=O)N2CC[NH+](CCCF)CC2)cc1[N+](=O)[O-] ZINC001639815585 1171853338 /nfs/dbraw/zinc/85/33/38/1171853338.db2.gz ZDZHOJLAWZGWHW-UHFFFAOYSA-N 1 1 311.317 0.689 20 5 DCBDMO NC(=O)c1ccnc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1[N+](=O)[O-] ZINC001639920188 1171854856 /nfs/dbraw/zinc/85/48/56/1171854856.db2.gz TUXFEVQBNNYVCY-AOOOYVTPSA-N 1 1 321.337 0.364 20 5 DCBDMO CNC(=O)c1ccc(N2CC([NH2+]C3COC3)C2)c([N+](=O)[O-])c1 ZINC001640459170 1171881603 /nfs/dbraw/zinc/88/16/03/1171881603.db2.gz RVBVKIJQLRJSCQ-UHFFFAOYSA-N 1 1 306.322 0.131 20 5 DCBDMO CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC001643496918 1171977868 /nfs/dbraw/zinc/97/78/68/1171977868.db2.gz PUHCZADOWUBFRL-LBPRGKRZSA-N 1 1 306.322 0.404 20 5 DCBDMO CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC001643496918 1171977876 /nfs/dbraw/zinc/97/78/76/1171977876.db2.gz PUHCZADOWUBFRL-LBPRGKRZSA-N 1 1 306.322 0.404 20 5 DCBDMO O=C(CC[N@H+]1C[C@H](O)[C@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC001654688398 1173808699 /nfs/dbraw/zinc/80/86/99/1173808699.db2.gz UUTVDLGQRGSAHC-GWCFXTLKSA-N 1 1 309.322 0.208 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1C(=O)NCC1(C)C ZINC001655483254 1173821035 /nfs/dbraw/zinc/82/10/35/1173821035.db2.gz PMAQHMLMPJPIKZ-ZDUSSCGKSA-N 1 1 320.349 0.956 20 5 DCBDMO O=[N+]([O-])c1ccc(NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)nc1 ZINC001655952650 1173831749 /nfs/dbraw/zinc/83/17/49/1173831749.db2.gz FEGRSIFDWHYVDH-GXTWGEPZSA-N 1 1 308.338 0.627 20 5 DCBDMO C[C@@](Cn1cccn1)([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C(N)=O ZINC001656457298 1173863635 /nfs/dbraw/zinc/86/36/35/1173863635.db2.gz XZRQQXLDQQBPDV-AWEZNQCLSA-N 1 1 321.312 0.964 20 5 DCBDMO COC(=O)C[C@@]1([NH2+]Cc2cn(C)nc2[N+](=O)[O-])CCCOC1 ZINC001658341287 1173922429 /nfs/dbraw/zinc/92/24/29/1173922429.db2.gz PEMYGYWWOWTLNV-ZDUSSCGKSA-N 1 1 312.326 0.530 20 5 DCBDMO CC(=O)N[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001659074063 1173929692 /nfs/dbraw/zinc/92/96/92/1173929692.db2.gz ZXZMNYJYUVDVSR-STQMWFEESA-N 1 1 323.349 0.545 20 5 DCBDMO Cc1noc(CCC[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001713192767 1180714458 /nfs/dbraw/zinc/71/44/58/1180714458.db2.gz XWLJJQLTFZPTSI-WRWGMCAJSA-N 1 1 323.353 0.213 20 5 DCBDMO COc1cccc(C[NH2+]CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001714704847 1181491908 /nfs/dbraw/zinc/49/19/08/1181491908.db2.gz WPSGVMGEHVSXTA-ZIAGYGMSSA-N 1 1 307.350 0.908 20 5 DCBDMO Cn1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCCC2)n1 ZINC001715300920 1181766167 /nfs/dbraw/zinc/76/61/67/1181766167.db2.gz VQFGFUJUBDRHRB-CHWSQXEVSA-N 1 1 321.381 0.604 20 5 DCBDMO O=C(NC/C=C\C[NH2+]CCc1ccns1)[C@@H]1CC1[N+](=O)[O-] ZINC001715817086 1182024690 /nfs/dbraw/zinc/02/46/90/1182024690.db2.gz PXNMVLIIIXGHFL-JZIZGNRHSA-N 1 1 310.379 0.613 20 5 DCBDMO O=C(NCC=CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cnn[nH]1 ZINC001732872520 1186028128 /nfs/dbraw/zinc/02/81/28/1186028128.db2.gz FODSNKNYGMDPKN-UPHRSURJSA-N 1 1 316.321 0.789 20 5 DCBDMO Cc1nccnc1C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001754119143 1188748735 /nfs/dbraw/zinc/74/87/35/1188748735.db2.gz HYRZHSWIBQDIQP-XFKWNRGUSA-N 1 1 305.338 0.212 20 5 DCBDMO COc1nccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001754370618 1188835210 /nfs/dbraw/zinc/83/52/10/1188835210.db2.gz IFYBTNGCBDABOC-VXGBXAGGSA-N 1 1 323.353 0.089 20 5 DCBDMO NC(=O)CC(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001754511108 1188871435 /nfs/dbraw/zinc/87/14/35/1188871435.db2.gz SFSMKAMXGXSOGA-UHFFFAOYSA-N 1 1 312.351 0.270 20 5 DCBDMO CN(CC(C)(C)C[NH2+]Cc1ccnn1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001755280643 1189069417 /nfs/dbraw/zinc/06/94/17/1189069417.db2.gz LSKNDKOIQYIABD-CHWSQXEVSA-N 1 1 323.397 0.660 20 5 DCBDMO Cc1nc(Cl)nc(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001164666392 719371197 /nfs/dbraw/zinc/37/11/97/719371197.db2.gz FXAFLQZKOLBKCO-RKDXNWHRSA-N 1 1 313.745 0.866 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC000342703477 719485202 /nfs/dbraw/zinc/48/52/02/719485202.db2.gz KIDVSVIPUVXEGK-VXGBXAGGSA-N 1 1 322.321 0.296 20 5 DCBDMO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1cc(N)c([N+](=O)[O-])cn1 ZINC001164921939 721868410 /nfs/dbraw/zinc/86/84/10/721868410.db2.gz FDNJRWZFMPDFFH-CHWSQXEVSA-N 1 1 320.397 0.787 20 5 DCBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1cc(N)c([N+](=O)[O-])cn1 ZINC001164921939 721868413 /nfs/dbraw/zinc/86/84/13/721868413.db2.gz FDNJRWZFMPDFFH-CHWSQXEVSA-N 1 1 320.397 0.787 20 5 DCBDMO Nc1nc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)ccc1[N+](=O)[O-] ZINC001164967983 722073292 /nfs/dbraw/zinc/07/32/92/722073292.db2.gz XDWLQBHTNOEVKN-TXEJJXNPSA-N 1 1 319.365 0.871 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)Cc1ccsc1 ZINC001122953894 767901842 /nfs/dbraw/zinc/90/18/42/767901842.db2.gz ZNBBHCCNDQBXAG-UHFFFAOYSA-N 1 1 323.378 0.838 20 5 DCBDMO COC[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2nnn(C)c21 ZINC001169019032 760559098 /nfs/dbraw/zinc/55/90/98/760559098.db2.gz GIGCFULHTXEMIR-WOPDTQHZSA-N 1 1 309.370 0.806 20 5 DCBDMO COC[C@@H]1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2nnn(C)c21 ZINC001169019032 760559104 /nfs/dbraw/zinc/55/91/04/760559104.db2.gz GIGCFULHTXEMIR-WOPDTQHZSA-N 1 1 309.370 0.806 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CCc1ccco1 ZINC001123410185 767977786 /nfs/dbraw/zinc/97/77/86/767977786.db2.gz GBQRXVWVHNCKAA-UHFFFAOYSA-N 1 1 321.337 0.760 20 5 DCBDMO Cc1cc(C)c(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)[nH]1 ZINC001130310994 763227639 /nfs/dbraw/zinc/22/76/39/763227639.db2.gz MLJOBRDHAMELDR-UHFFFAOYSA-N 1 1 320.353 0.793 20 5 DCBDMO C/C(=C/C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC001124216792 768176927 /nfs/dbraw/zinc/17/69/27/768176927.db2.gz BSTJEKXVMIJSKA-YFHOEESVSA-N 1 1 307.354 0.890 20 5 DCBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001133923444 765233706 /nfs/dbraw/zinc/23/37/06/765233706.db2.gz LXFXRCGIOQFJLY-GFCCVEGCSA-N 1 1 316.321 0.609 20 5 DCBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001133923444 765233710 /nfs/dbraw/zinc/23/37/10/765233710.db2.gz LXFXRCGIOQFJLY-GFCCVEGCSA-N 1 1 316.321 0.609 20 5 DCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001116432943 765870776 /nfs/dbraw/zinc/87/07/76/765870776.db2.gz YVFAENARCUPRSM-LLVKDONJSA-N 1 1 323.353 0.123 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NCCC[NH+]2CCOCC2)n1 ZINC001135418359 765925824 /nfs/dbraw/zinc/92/58/24/765925824.db2.gz HLMPRDLSPZPBAH-UHFFFAOYSA-N 1 1 308.338 0.750 20 5 DCBDMO CC(C)(O)C[NH+]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001136523035 766321955 /nfs/dbraw/zinc/32/19/55/766321955.db2.gz HLAHYNUUVWPBLZ-UHFFFAOYSA-N 1 1 323.353 0.101 20 5 DCBDMO CN1CC[N@@H+](C)CC(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001119564889 766730082 /nfs/dbraw/zinc/73/00/82/766730082.db2.gz XGKLBDPCORBJRW-UHFFFAOYSA-N 1 1 318.377 0.930 20 5 DCBDMO CCOCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001147507520 767764107 /nfs/dbraw/zinc/76/41/07/767764107.db2.gz QLMWDNGHFJHNAD-CHWSQXEVSA-N 1 1 311.382 0.613 20 5 DCBDMO CCOCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001147507520 767764112 /nfs/dbraw/zinc/76/41/12/767764112.db2.gz QLMWDNGHFJHNAD-CHWSQXEVSA-N 1 1 311.382 0.613 20 5 DCBDMO CCOCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001147507520 767764116 /nfs/dbraw/zinc/76/41/16/767764116.db2.gz QLMWDNGHFJHNAD-CHWSQXEVSA-N 1 1 311.382 0.613 20 5 DCBDMO CC[N@@H+](C)CCC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001093175077 768480720 /nfs/dbraw/zinc/48/07/20/768480720.db2.gz VQXNWTMENFDDGK-UHFFFAOYSA-N 1 1 321.381 0.980 20 5 DCBDMO CN1CC[N@@H+](C)CC(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC001141767415 768592097 /nfs/dbraw/zinc/59/20/97/768592097.db2.gz JBTNKCBZHVCAJX-UHFFFAOYSA-N 1 1 307.354 0.609 20 5 DCBDMO CC(=O)NCC(=O)NCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001231258762 769210867 /nfs/dbraw/zinc/21/08/67/769210867.db2.gz LELAVLGFVXXJMM-UHFFFAOYSA-N 1 1 322.365 0.669 20 5 DCBDMO C[N@@H+](CCCO)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001171511823 769313060 /nfs/dbraw/zinc/31/30/60/769313060.db2.gz YWINLXLVEHYRRU-UHFFFAOYSA-N 1 1 317.367 0.187 20 5 DCBDMO C[N@@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC001233622578 769411703 /nfs/dbraw/zinc/41/17/03/769411703.db2.gz BIINKTWRYRFUQY-SNVBAGLBSA-N 1 1 315.351 0.715 20 5 DCBDMO C[N@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC001233622578 769411707 /nfs/dbraw/zinc/41/17/07/769411707.db2.gz BIINKTWRYRFUQY-SNVBAGLBSA-N 1 1 315.351 0.715 20 5 DCBDMO COc1ccc(CC(=O)NCC[N@@H+](C)CCO)cc1[N+](=O)[O-] ZINC001155251712 770451330 /nfs/dbraw/zinc/45/13/30/770451330.db2.gz XBUUDULSEKJKLT-UHFFFAOYSA-N 1 1 311.338 0.186 20 5 DCBDMO COc1ncnc(NCC2(N(C)C)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001156182670 770741574 /nfs/dbraw/zinc/74/15/74/770741574.db2.gz ZYFXBWDSZMGXQI-UHFFFAOYSA-N 1 1 324.385 0.831 20 5 DCBDMO COC(=O)c1nc(Cl)nc(N[C@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001156580264 770863437 /nfs/dbraw/zinc/86/34/37/770863437.db2.gz JPELTZWKFIBKKW-LURJTMIESA-N 1 1 315.717 0.941 20 5 DCBDMO O=C([C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC([NH2+]C2COC2)C1 ZINC001157602299 771639499 /nfs/dbraw/zinc/63/94/99/771639499.db2.gz UZHKFOYWZPTRHR-GJZGRUSLSA-N 1 1 317.345 0.898 20 5 DCBDMO C[N@@H+](C1CN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1)[C@H]1CCOC1 ZINC001158731184 771815858 /nfs/dbraw/zinc/81/58/58/771815858.db2.gz GLIOMVLEDULCDE-VIFPVBQESA-N 1 1 323.309 0.807 20 5 DCBDMO COc1cc(C)nc(NCCN2CC[NH2+]CC2=O)c1[N+](=O)[O-] ZINC001161018679 772150041 /nfs/dbraw/zinc/15/00/41/772150041.db2.gz AQMMLBXIHWFNCX-UHFFFAOYSA-N 1 1 309.326 0.151 20 5 DCBDMO C[N@@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])c3c2CNC3=O)C1 ZINC001162693163 772408728 /nfs/dbraw/zinc/40/87/28/772408728.db2.gz BLRDQTOIHXRPCR-VIFPVBQESA-N 1 1 306.322 0.581 20 5 DCBDMO C[N@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])c3c2CNC3=O)C1 ZINC001162693163 772408731 /nfs/dbraw/zinc/40/87/31/772408731.db2.gz BLRDQTOIHXRPCR-VIFPVBQESA-N 1 1 306.322 0.581 20 5 DCBDMO CN(C)C1=[NH+]OC2(C1)CCN(c1cc([N+](=O)[O-])cc[n+]1[O-])CC2 ZINC001166031928 772779454 /nfs/dbraw/zinc/77/94/54/772779454.db2.gz HZRCNVALIOJYFO-UHFFFAOYSA-N 1 1 321.337 0.863 20 5 DCBDMO C[C@H]1COCC[N@@H+]1CCn1nnc(-c2ccccc2[N+](=O)[O-])n1 ZINC001166918139 772879127 /nfs/dbraw/zinc/87/91/27/772879127.db2.gz LHEOLENTBKNUCN-NSHDSACASA-N 1 1 318.337 0.969 20 5 DCBDMO C[C@H]1COCC[N@H+]1CCn1nnc(-c2ccccc2[N+](=O)[O-])n1 ZINC001166918139 772879130 /nfs/dbraw/zinc/87/91/30/772879130.db2.gz LHEOLENTBKNUCN-NSHDSACASA-N 1 1 318.337 0.969 20 5 DCBDMO CCS(=O)(=O)CC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001196909878 773666624 /nfs/dbraw/zinc/66/66/24/773666624.db2.gz XABYMVKFOAMKOQ-ZDUSSCGKSA-N 1 1 316.379 0.827 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OCC[NH+]1CCN(C)CC1 ZINC001224550413 775583055 /nfs/dbraw/zinc/58/30/55/775583055.db2.gz VBZMWHPCTCKNMP-GFCCVEGCSA-N 1 1 311.386 0.752 20 5 DCBDMO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nccc(O)c1[N+](=O)[O-] ZINC001225665587 775705471 /nfs/dbraw/zinc/70/54/71/775705471.db2.gz BYXSXVHQALCLBU-MRVPVSSYSA-O 1 1 300.291 0.058 20 5 DCBDMO C[N+](C)(C)C[C@H](O)CC(=O)Oc1[nH]c(=O)nc2ccccc21 ZINC001226976695 775903527 /nfs/dbraw/zinc/90/35/27/775903527.db2.gz FKPUQLHYJMVLRI-SNVBAGLBSA-O 1 1 306.342 0.698 20 5 DCBDMO Cc1cccc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001272162298 941760504 /nfs/dbraw/zinc/76/05/04/941760504.db2.gz JHBSSLCTULYRGX-HUUCEWRRSA-N 1 1 321.377 0.571 20 5 DCBDMO CN(C)c1ccccc1C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317448351 944976091 /nfs/dbraw/zinc/97/60/91/944976091.db2.gz SCRKXKBLSASSQA-UKRRQHHQSA-N 1 1 320.393 0.966 20 5 DCBDMO CN(C)c1ccccc1C[N@H+](C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001317448351 944976095 /nfs/dbraw/zinc/97/60/95/944976095.db2.gz SCRKXKBLSASSQA-UKRRQHHQSA-N 1 1 320.393 0.966 20 5 DCBDMO CN(C)c1ccccc1C[N@@H+](C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001317448351 944976101 /nfs/dbraw/zinc/97/61/01/944976101.db2.gz SCRKXKBLSASSQA-UKRRQHHQSA-N 1 1 320.393 0.966 20 5 DCBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC001319591278 945626723 /nfs/dbraw/zinc/62/67/23/945626723.db2.gz GDGPBCXROMBNKY-VXGBXAGGSA-N 1 1 320.349 0.500 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c1 ZINC001324277304 947375892 /nfs/dbraw/zinc/37/58/92/947375892.db2.gz GBCOWXJGPXRKEG-KOLCDFICSA-N 1 1 320.296 0.102 20 5 DCBDMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCc1ccccc1[N+](=O)[O-] ZINC001263709190 948738022 /nfs/dbraw/zinc/73/80/22/948738022.db2.gz KGHPQTJQZMDIGY-RISCZKNCSA-N 1 1 304.350 0.599 20 5 DCBDMO CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cnc(C)o1 ZINC001265113130 949311807 /nfs/dbraw/zinc/31/18/07/949311807.db2.gz AZKKBHVBSOGNJN-CHWSQXEVSA-N 1 1 310.354 0.976 20 5 DCBDMO CC[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cnc(C)o1 ZINC001265113130 949311825 /nfs/dbraw/zinc/31/18/25/949311825.db2.gz AZKKBHVBSOGNJN-CHWSQXEVSA-N 1 1 310.354 0.976 20 5 DCBDMO CC[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cnc(C)o1 ZINC001265113130 949311851 /nfs/dbraw/zinc/31/18/51/949311851.db2.gz AZKKBHVBSOGNJN-CHWSQXEVSA-N 1 1 310.354 0.976 20 5 DCBDMO CC/C=C/CC[NH+]1CCN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001265258166 949501447 /nfs/dbraw/zinc/50/14/47/949501447.db2.gz AURMDNHYTIBGTN-LRPXVYOUSA-N 1 1 324.425 0.742 20 5 DCBDMO C[NH+](C)[C@@H]1C[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC001335485169 952543627 /nfs/dbraw/zinc/54/36/27/952543627.db2.gz KVYIAANPIXSRJU-MELADBBJSA-N 1 1 323.397 0.615 20 5 DCBDMO C[N@H+]1CCCC[C@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001336198154 952659117 /nfs/dbraw/zinc/65/91/17/952659117.db2.gz CAPFGGVBETXEHG-NSHDSACASA-N 1 1 308.338 0.357 20 5 DCBDMO C[NH+]1CCN(C(=O)CNc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC001339558922 953102492 /nfs/dbraw/zinc/10/24/92/953102492.db2.gz GRAMNIJERCQRLQ-UHFFFAOYSA-N 1 1 319.365 0.749 20 5 DCBDMO CN(CC(C)(C)C[NH2+]Cc1ccn(C)n1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001282295189 953539572 /nfs/dbraw/zinc/53/95/72/953539572.db2.gz RLIAFEXUXAXYAA-CHWSQXEVSA-N 1 1 323.397 0.660 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC001295513765 957737662 /nfs/dbraw/zinc/73/76/62/957737662.db2.gz IODBZKHINPZGBC-DOMZBBRYSA-N 1 1 323.349 0.675 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001295513765 957737666 /nfs/dbraw/zinc/73/76/66/957737666.db2.gz IODBZKHINPZGBC-DOMZBBRYSA-N 1 1 323.349 0.675 20 5 DCBDMO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1cc([N+](=O)[O-])n[nH]1 ZINC001303634247 960058630 /nfs/dbraw/zinc/05/86/30/960058630.db2.gz XNLYLRFTNVHKMS-SCZZXKLOSA-N 1 1 311.367 0.628 20 5 DCBDMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)c1cc([N+](=O)[O-])n[nH]1 ZINC001303634247 960058637 /nfs/dbraw/zinc/05/86/37/960058637.db2.gz XNLYLRFTNVHKMS-SCZZXKLOSA-N 1 1 311.367 0.628 20 5 DCBDMO Cc1ccc(NCCNC(=O)Cn2cnc([N+](=O)[O-])n2)[nH+]c1 ZINC001456131436 1010103857 /nfs/dbraw/zinc/10/38/57/1010103857.db2.gz ZEWZFLMGRSEDQT-UHFFFAOYSA-N 1 1 305.298 0.118 20 5 DCBDMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001556895180 1012238903 /nfs/dbraw/zinc/23/89/03/1012238903.db2.gz JNTHUQUXKYZTCI-TVQRCGJNSA-N 1 1 305.338 0.504 20 5 DCBDMO C[C@@H]1[C@H](NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC[N@H+]1C ZINC001558424814 1012354809 /nfs/dbraw/zinc/35/48/09/1012354809.db2.gz BKZBFOLSGYKCGX-ZYHUDNBSSA-N 1 1 321.333 0.995 20 5 DCBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000278703410 214338821 /nfs/dbraw/zinc/33/88/21/214338821.db2.gz IOJPOXXUKBFRCI-SNVBAGLBSA-N 1 1 322.369 0.657 20 5 DCBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000331372774 233216021 /nfs/dbraw/zinc/21/60/21/233216021.db2.gz JGHDSNGZUXHATB-JTQLQIEISA-N 1 1 309.326 0.112 20 5 DCBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000150735862 186061421 /nfs/dbraw/zinc/06/14/21/186061421.db2.gz CTHQVZNZUYNHSP-NSHDSACASA-N 1 1 322.365 0.996 20 5 DCBDMO CC[NH+]1CCN(C(=O)CNc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000173915503 198268440 /nfs/dbraw/zinc/26/84/40/198268440.db2.gz WOFMNEWXTFRJKP-UHFFFAOYSA-N 1 1 307.354 0.874 20 5 DCBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000186962079 200038936 /nfs/dbraw/zinc/03/89/36/200038936.db2.gz JMLUKQLHRCRCGL-GHMZBOCLSA-N 1 1 322.365 0.825 20 5 DCBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000186962079 200038938 /nfs/dbraw/zinc/03/89/38/200038938.db2.gz JMLUKQLHRCRCGL-GHMZBOCLSA-N 1 1 322.365 0.825 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000315438631 291253440 /nfs/dbraw/zinc/25/34/40/291253440.db2.gz YWZKVIKTYIWPAF-MCIONIFRSA-N 1 1 309.370 0.369 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000315438631 291253442 /nfs/dbraw/zinc/25/34/42/291253442.db2.gz YWZKVIKTYIWPAF-MCIONIFRSA-N 1 1 309.370 0.369 20 5 DCBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1(C(N)=O)CCCC1 ZINC000093212132 193217623 /nfs/dbraw/zinc/21/76/23/193217623.db2.gz VXPXCWFBSVKFSC-UHFFFAOYSA-N 1 1 308.338 0.486 20 5 DCBDMO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000264750766 204126018 /nfs/dbraw/zinc/12/60/18/204126018.db2.gz MDLVSZSIGFHTEA-NSHDSACASA-N 1 1 310.329 0.710 20 5 DCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000264750766 204126020 /nfs/dbraw/zinc/12/60/20/204126020.db2.gz MDLVSZSIGFHTEA-NSHDSACASA-N 1 1 310.329 0.710 20 5 DCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000264753510 204128914 /nfs/dbraw/zinc/12/89/14/204128914.db2.gz SUCWPOZFGSFRBZ-GFCCVEGCSA-N 1 1 322.365 0.336 20 5 DCBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1ccc([N+](=O)[O-])c2nonc21 ZINC000264752407 204129576 /nfs/dbraw/zinc/12/95/76/204129576.db2.gz MJMBBJYXEJTWOQ-VIFPVBQESA-N 1 1 306.326 0.789 20 5 DCBDMO CN1CC[N@H+](C)[C@@H](CNc2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000264752407 204129582 /nfs/dbraw/zinc/12/95/82/204129582.db2.gz MJMBBJYXEJTWOQ-VIFPVBQESA-N 1 1 306.326 0.789 20 5 DCBDMO CN1CC[N@@H+](C)[C@@H](CNc2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000264752407 204129585 /nfs/dbraw/zinc/12/95/85/204129585.db2.gz MJMBBJYXEJTWOQ-VIFPVBQESA-N 1 1 306.326 0.789 20 5 DCBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H](C)C1 ZINC000346185085 254020530 /nfs/dbraw/zinc/02/05/30/254020530.db2.gz NSULXDRDCMOBFD-SRVKXCTJSA-N 1 1 322.369 0.375 20 5 DCBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2CN2CCOCC2)n1 ZINC000176270022 285167937 /nfs/dbraw/zinc/16/79/37/285167937.db2.gz XWSNJSPEBPCWPG-ZDUSSCGKSA-N 1 1 309.370 0.588 20 5 DCBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000347516770 254164353 /nfs/dbraw/zinc/16/43/53/254164353.db2.gz HUBGRFKFIQGIKB-SNVBAGLBSA-N 1 1 311.342 0.169 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CCSCC[NH+]1CCOCC1 ZINC000160003535 285221851 /nfs/dbraw/zinc/22/18/51/285221851.db2.gz BPIUNYCAVXFLJH-UHFFFAOYSA-N 1 1 313.379 0.822 20 5 DCBDMO C[C@@H](O)C[N@@H+](CCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000289716714 221174711 /nfs/dbraw/zinc/17/47/11/221174711.db2.gz IESCNCTUUPOYHI-LLVKDONJSA-N 1 1 323.349 0.159 20 5 DCBDMO C[C@@H](O)C[N@H+](CCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000289716714 221174709 /nfs/dbraw/zinc/17/47/09/221174709.db2.gz IESCNCTUUPOYHI-LLVKDONJSA-N 1 1 323.349 0.159 20 5 DCBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@H+]1CC(C)(C)O ZINC000275542963 130332469 /nfs/dbraw/zinc/33/24/69/130332469.db2.gz GZKPETZRLFKAFD-JTQLQIEISA-N 1 1 310.354 0.840 20 5 DCBDMO C[C@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000089307114 395709919 /nfs/dbraw/zinc/70/99/19/395709919.db2.gz ZSBDTGZAXXDNEC-CYBMUJFWSA-N 1 1 320.393 0.889 20 5 DCBDMO CCc1nn(C)c(N2CCN(c3[nH+]ccn3C)CC2)c1[N+](=O)[O-] ZINC000271350287 395860439 /nfs/dbraw/zinc/86/04/39/395860439.db2.gz HJFBUMYLTOKUQQ-UHFFFAOYSA-N 1 1 319.369 0.951 20 5 DCBDMO NC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000051131848 395846011 /nfs/dbraw/zinc/84/60/11/395846011.db2.gz GWLRNDMKPKORCW-LBPRGKRZSA-N 1 1 322.321 0.110 20 5 DCBDMO NC(=O)[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000051131848 395846012 /nfs/dbraw/zinc/84/60/12/395846012.db2.gz GWLRNDMKPKORCW-LBPRGKRZSA-N 1 1 322.321 0.110 20 5 DCBDMO O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC000236419692 395894094 /nfs/dbraw/zinc/89/40/94/395894094.db2.gz LAEQMEZWEOQFDS-NSHDSACASA-N 1 1 315.351 0.003 20 5 DCBDMO O=C([C@@H]1CSC[NH2+]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000237962010 395919819 /nfs/dbraw/zinc/91/98/19/395919819.db2.gz XQIIZNSGONXNSQ-NSHDSACASA-N 1 1 322.390 0.906 20 5 DCBDMO C[N@H+]1CC[C@@H](CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000273441910 395921924 /nfs/dbraw/zinc/92/19/24/395921924.db2.gz DCMASTWOKNTEEF-VIFPVBQESA-N 1 1 314.367 0.606 20 5 DCBDMO CCNC(=O)CN1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052534035 395865194 /nfs/dbraw/zinc/86/51/94/395865194.db2.gz WTDLMZGYRKAYPK-UHFFFAOYSA-N 1 1 320.393 0.891 20 5 DCBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](Cn3ccnn3)C2)c1 ZINC000119060610 395867310 /nfs/dbraw/zinc/86/73/10/395867310.db2.gz INRVZSRHKOTCMM-LBPRGKRZSA-N 1 1 305.342 0.795 20 5 DCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1C[N@H+](C)CCO1 ZINC000134989647 395936111 /nfs/dbraw/zinc/93/61/11/395936111.db2.gz OAASGDGIWIAZPE-CABZTGNLSA-N 1 1 308.338 0.626 20 5 DCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1C[N@@H+](C)CCO1 ZINC000134989647 395936113 /nfs/dbraw/zinc/93/61/13/395936113.db2.gz OAASGDGIWIAZPE-CABZTGNLSA-N 1 1 308.338 0.626 20 5 DCBDMO COC(=O)[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000248969235 396001062 /nfs/dbraw/zinc/00/10/62/396001062.db2.gz CGNPGLNJSXIPLR-DGCLKSJQSA-N 1 1 323.349 0.888 20 5 DCBDMO C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCO1 ZINC000157892317 396064207 /nfs/dbraw/zinc/06/42/07/396064207.db2.gz FOTSJTWNHQOVEQ-SMDDNHRTSA-N 1 1 323.349 0.809 20 5 DCBDMO C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000157892317 396064209 /nfs/dbraw/zinc/06/42/09/396064209.db2.gz FOTSJTWNHQOVEQ-SMDDNHRTSA-N 1 1 323.349 0.809 20 5 DCBDMO C[NH2+][C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000262314697 396122136 /nfs/dbraw/zinc/12/21/36/396122136.db2.gz CCBISJVOECZPKR-AWEZNQCLSA-N 1 1 317.349 0.948 20 5 DCBDMO COCC[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000277614017 396077766 /nfs/dbraw/zinc/07/77/66/396077766.db2.gz BBLPTJALKNQSAS-JTQLQIEISA-N 1 1 310.310 0.146 20 5 DCBDMO C[NH+]1CCC[C@H]2C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000162790685 396084295 /nfs/dbraw/zinc/08/42/95/396084295.db2.gz LDYQZUZGICDJAU-QEJZJMRPSA-N 1 1 323.397 0.568 20 5 DCBDMO C[NH+]1CCC[C@H]2C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000162790685 396084299 /nfs/dbraw/zinc/08/42/99/396084299.db2.gz LDYQZUZGICDJAU-QEJZJMRPSA-N 1 1 323.397 0.568 20 5 DCBDMO C[N@@H+]1CCC[C@H]2CN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000162790685 396084303 /nfs/dbraw/zinc/08/43/03/396084303.db2.gz LDYQZUZGICDJAU-QEJZJMRPSA-N 1 1 323.397 0.568 20 5 DCBDMO C[N@H+]1CCC[C@H]2CN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000162790685 396084305 /nfs/dbraw/zinc/08/43/05/396084305.db2.gz LDYQZUZGICDJAU-QEJZJMRPSA-N 1 1 323.397 0.568 20 5 DCBDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000177031646 396164575 /nfs/dbraw/zinc/16/45/75/396164575.db2.gz AVBRUBAQEAGJNH-GFCCVEGCSA-N 1 1 322.365 0.699 20 5 DCBDMO NC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000074392582 396166639 /nfs/dbraw/zinc/16/66/39/396166639.db2.gz GPOFBCQMHDYXEL-UHFFFAOYSA-N 1 1 323.309 0.865 20 5 DCBDMO C[N@H+]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])o2)CC1(C)C ZINC000281850921 396244599 /nfs/dbraw/zinc/24/45/99/396244599.db2.gz ULWDQCSIWIWVAE-UHFFFAOYSA-N 1 1 310.354 0.944 20 5 DCBDMO COCC[N@@H+](C)CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079939885 396272659 /nfs/dbraw/zinc/27/26/59/396272659.db2.gz KYURKXYBOCKWJJ-UHFFFAOYSA-N 1 1 324.381 0.725 20 5 DCBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CN1CCOCC1 ZINC000083244454 396314064 /nfs/dbraw/zinc/31/40/64/396314064.db2.gz DANPXCVDDVOZLS-MRXNPFEDSA-N 1 1 323.393 0.762 20 5 DCBDMO CC[N@@H+]1CCO[C@@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000081230736 396295139 /nfs/dbraw/zinc/29/51/39/396295139.db2.gz LNSPKDNYBXEHFL-CQSZACIVSA-N 1 1 322.365 0.844 20 5 DCBDMO CC[N@H+]1CCO[C@@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000081230736 396295142 /nfs/dbraw/zinc/29/51/42/396295142.db2.gz LNSPKDNYBXEHFL-CQSZACIVSA-N 1 1 322.365 0.844 20 5 DCBDMO CCOC(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000184682907 396301496 /nfs/dbraw/zinc/30/14/96/396301496.db2.gz PSGGKRHPECUKJL-VXGBXAGGSA-N 1 1 312.326 0.180 20 5 DCBDMO CCOC(=O)[C@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000184682907 396301498 /nfs/dbraw/zinc/30/14/98/396301498.db2.gz PSGGKRHPECUKJL-VXGBXAGGSA-N 1 1 312.326 0.180 20 5 DCBDMO C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000192920218 396440455 /nfs/dbraw/zinc/44/04/55/396440455.db2.gz NXNKTRXMTSJWPE-PHIMTYICSA-N 1 1 311.363 0.777 20 5 DCBDMO C[NH+]1CCN(Cc2cn(-c3ccc(O)cc3[N+](=O)[O-])nn2)CC1 ZINC000594652012 396493546 /nfs/dbraw/zinc/49/35/46/396493546.db2.gz ILUPZTQAZOCZRF-UHFFFAOYSA-N 1 1 318.337 0.629 20 5 DCBDMO Nc1c(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000588862457 396695875 /nfs/dbraw/zinc/69/58/75/396695875.db2.gz BRFBKASRIDNOAI-GHMZBOCLSA-N 1 1 320.349 0.458 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000304309261 396729991 /nfs/dbraw/zinc/72/99/91/396729991.db2.gz JWAZYNPMLQMEAR-MGPQQGTHSA-N 1 1 310.354 0.796 20 5 DCBDMO C[NH+]1CCN(CC2CN(C(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000590400264 396772083 /nfs/dbraw/zinc/77/20/83/396772083.db2.gz SBXZASREHMNGJS-UHFFFAOYSA-N 1 1 318.377 0.914 20 5 DCBDMO CCNC(=O)C[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612060045 396993057 /nfs/dbraw/zinc/99/30/57/396993057.db2.gz PJNYVRGACMNZQN-NSHDSACASA-N 1 1 311.338 0.402 20 5 DCBDMO CCNC(=O)C[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612060045 396993058 /nfs/dbraw/zinc/99/30/58/396993058.db2.gz PJNYVRGACMNZQN-NSHDSACASA-N 1 1 311.338 0.402 20 5 DCBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000612789046 397138960 /nfs/dbraw/zinc/13/89/60/397138960.db2.gz HMDLKFVORJQKBO-GFCCVEGCSA-N 1 1 320.353 0.303 20 5 DCBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000598219414 397189777 /nfs/dbraw/zinc/18/97/77/397189777.db2.gz LNUIYRFHHHPGKX-NSHDSACASA-N 1 1 322.369 0.710 20 5 DCBDMO CO[C@@H]1COC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000574037306 397230186 /nfs/dbraw/zinc/23/01/86/397230186.db2.gz MLERXDDRERESQD-CHWSQXEVSA-N 1 1 310.306 0.965 20 5 DCBDMO CC1(C)CC[C@H](CO)[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000598648089 397266944 /nfs/dbraw/zinc/26/69/44/397266944.db2.gz NQBBXNVEEQOEHK-YPMHNXCESA-N 1 1 312.370 0.635 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000387104741 397293302 /nfs/dbraw/zinc/29/33/02/397293302.db2.gz APLVGVPWZRMWDD-UHFFFAOYSA-N 1 1 310.354 0.462 20 5 DCBDMO COc1cc(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000593853175 397455754 /nfs/dbraw/zinc/45/57/54/397455754.db2.gz DKAAVNFCOLOOMZ-GFCCVEGCSA-N 1 1 321.333 0.494 20 5 DCBDMO COc1cc(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000593853175 397455763 /nfs/dbraw/zinc/45/57/63/397455763.db2.gz DKAAVNFCOLOOMZ-GFCCVEGCSA-N 1 1 321.333 0.494 20 5 DCBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593853806 397456084 /nfs/dbraw/zinc/45/60/84/397456084.db2.gz FCDPIENPQKAMNC-CYBMUJFWSA-N 1 1 321.333 0.251 20 5 DCBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593853806 397456089 /nfs/dbraw/zinc/45/60/89/397456089.db2.gz FCDPIENPQKAMNC-CYBMUJFWSA-N 1 1 321.333 0.251 20 5 DCBDMO O=C(COc1cccc([N+](=O)[O-])c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593855437 397457094 /nfs/dbraw/zinc/45/70/94/397457094.db2.gz QOEZPVBWWUKTET-CYBMUJFWSA-N 1 1 321.333 0.251 20 5 DCBDMO O=C(COc1cccc([N+](=O)[O-])c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593855437 397457098 /nfs/dbraw/zinc/45/70/98/397457098.db2.gz QOEZPVBWWUKTET-CYBMUJFWSA-N 1 1 321.333 0.251 20 5 DCBDMO Cc1ccc(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000593856427 397457720 /nfs/dbraw/zinc/45/77/20/397457720.db2.gz WOYLHFSAIDJBGL-CYBMUJFWSA-N 1 1 305.334 0.794 20 5 DCBDMO Cc1ccc(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000593856427 397457724 /nfs/dbraw/zinc/45/77/24/397457724.db2.gz WOYLHFSAIDJBGL-CYBMUJFWSA-N 1 1 305.334 0.794 20 5 DCBDMO CNc1ccc(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000593855371 397458049 /nfs/dbraw/zinc/45/80/49/397458049.db2.gz OQLMSYCVTBMLGO-GFCCVEGCSA-N 1 1 320.349 0.528 20 5 DCBDMO CNc1ccc(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000593855371 397458052 /nfs/dbraw/zinc/45/80/52/397458052.db2.gz OQLMSYCVTBMLGO-GFCCVEGCSA-N 1 1 320.349 0.528 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H](CO)COC(C)C ZINC000602818514 397495151 /nfs/dbraw/zinc/49/51/51/397495151.db2.gz FJVBALUOUFCVRJ-GFCCVEGCSA-N 1 1 300.359 0.817 20 5 DCBDMO C[N@@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](CO)C1 ZINC000602906650 397520930 /nfs/dbraw/zinc/52/09/30/397520930.db2.gz YOLBCBWBPMOMGK-NSHDSACASA-N 1 1 308.338 0.142 20 5 DCBDMO C[N@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](CO)C1 ZINC000602906650 397520931 /nfs/dbraw/zinc/52/09/31/397520931.db2.gz YOLBCBWBPMOMGK-NSHDSACASA-N 1 1 308.338 0.142 20 5 DCBDMO Cn1c(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599938622 397545833 /nfs/dbraw/zinc/54/58/33/397545833.db2.gz QXIWQUQSVFRUEE-WDEREUQCSA-N 1 1 308.338 0.214 20 5 DCBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000609269916 397768345 /nfs/dbraw/zinc/76/83/45/397768345.db2.gz ZQUGTNWVSMCVGX-LLVKDONJSA-N 1 1 310.354 0.774 20 5 DCBDMO C[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)C[NH+]1CCOCC1 ZINC000330579796 159196229 /nfs/dbraw/zinc/19/62/29/159196229.db2.gz STTKHFAFEXPKMF-SNVBAGLBSA-N 1 1 311.342 0.026 20 5 DCBDMO C[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)C[NH+]1CCOCC1 ZINC000330579795 159196336 /nfs/dbraw/zinc/19/63/36/159196336.db2.gz STTKHFAFEXPKMF-JTQLQIEISA-N 1 1 311.342 0.026 20 5 DCBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000332195934 415291438 /nfs/dbraw/zinc/29/14/38/415291438.db2.gz YRGQZEQXYMVCBI-ZDUSSCGKSA-N 1 1 323.397 0.976 20 5 DCBDMO NC(=O)N[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000342875688 415329061 /nfs/dbraw/zinc/32/90/61/415329061.db2.gz XJFYLAPJPQUHOS-NSHDSACASA-N 1 1 321.337 0.666 20 5 DCBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1COC[C@@H]1O ZINC000352813609 415336182 /nfs/dbraw/zinc/33/61/82/415336182.db2.gz DWLHBKCYXVIMKK-DRZSPHRISA-N 1 1 312.322 0.026 20 5 DCBDMO C[C@H]1[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCC[N@H+]1C ZINC000343433700 415599053 /nfs/dbraw/zinc/59/90/53/415599053.db2.gz GSXWOAWNPUGBIT-CMPLNLGQSA-N 1 1 308.338 0.355 20 5 DCBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290822605 415825349 /nfs/dbraw/zinc/82/53/49/415825349.db2.gz STUATXDBNKFUDL-KOLCDFICSA-N 1 1 307.354 0.865 20 5 DCBDMO C[NH+](C)CCN1CCC(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000337048024 415898645 /nfs/dbraw/zinc/89/86/45/415898645.db2.gz PZWWKIFAGCJMPF-UHFFFAOYSA-N 1 1 323.397 0.926 20 5 DCBDMO O=C(NCC1CC[NH+](CCO)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356798525 415989687 /nfs/dbraw/zinc/98/96/87/415989687.db2.gz GMWJDFBOZHPXRP-UHFFFAOYSA-N 1 1 323.349 0.735 20 5 DCBDMO CN(C)C(=O)C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000345127095 416049819 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0.414 20 5 DCBDMO Cn1cncc1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996429247 666790959 /nfs/dbraw/zinc/79/09/59/666790959.db2.gz NRHGTTVJNQOFSU-CHWSQXEVSA-N 1 1 307.354 0.166 20 5 DCBDMO Cn1nccc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001034643909 667089791 /nfs/dbraw/zinc/08/97/91/667089791.db2.gz UMUQVTMIKZUFQH-HBJVGIJOSA-N 1 1 321.381 0.602 20 5 DCBDMO C[C@H](c1nc(-c2ccc([N+](=O)[O-])o2)no1)N1CC[NH2+]CC1=O ZINC000863678540 667169119 /nfs/dbraw/zinc/16/91/19/667169119.db2.gz YGSXIMGNYURARN-SSDOTTSWSA-N 1 1 307.266 0.731 20 5 DCBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515626 667551627 /nfs/dbraw/zinc/55/16/27/667551627.db2.gz IRRMNLXUZZBHQF-BFHYXJOUSA-N 1 1 321.377 0.876 20 5 DCBDMO Cc1nn(C)c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000874846272 668226729 /nfs/dbraw/zinc/22/67/29/668226729.db2.gz XQYWVTIWQYWREM-MNOVXSKESA-N 1 1 307.354 0.945 20 5 DCBDMO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC000926140557 668377237 /nfs/dbraw/zinc/37/72/37/668377237.db2.gz CPZXFKYOGGUZPD-SAAVVOQKSA-N 1 1 311.382 0.248 20 5 DCBDMO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000926140557 668377240 /nfs/dbraw/zinc/37/72/40/668377240.db2.gz CPZXFKYOGGUZPD-SAAVVOQKSA-N 1 1 311.382 0.248 20 5 DCBDMO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000926140557 668377243 /nfs/dbraw/zinc/37/72/43/668377243.db2.gz CPZXFKYOGGUZPD-SAAVVOQKSA-N 1 1 311.382 0.248 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](CN2CCOC2=O)C1 ZINC000878660137 668753210 /nfs/dbraw/zinc/75/32/10/668753210.db2.gz PFWZAUJTYJLPQU-GFCCVEGCSA-N 1 1 323.353 0.874 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000878663622 668754343 /nfs/dbraw/zinc/75/43/43/668754343.db2.gz MTKKRMVYBIAPEM-NSHDSACASA-N 1 1 311.342 0.872 20 5 DCBDMO CN(C)C(=O)NCC[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000777715874 668890597 /nfs/dbraw/zinc/89/05/97/668890597.db2.gz IZMJSLQTVPJJGU-CYBMUJFWSA-N 1 1 310.354 0.831 20 5 DCBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)C[C@]1(O)CCOC1 ZINC000930353368 669000452 /nfs/dbraw/zinc/00/04/52/669000452.db2.gz JGICEFKNMRRUTE-JKSUJKDBSA-N 1 1 324.377 0.972 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(CCn3cc([N+](=O)[O-])ccc3=O)CC[C@@H]21 ZINC000879577162 669067633 /nfs/dbraw/zinc/06/76/33/669067633.db2.gz HCDMRODRQNVWNZ-OCCSQVGLSA-N 1 1 306.366 0.783 20 5 DCBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1C[N@H+](C)CCO1 ZINC000787132687 669352790 /nfs/dbraw/zinc/35/27/90/669352790.db2.gz JYCLKCHYNAPRGN-RNCFNFMXSA-N 1 1 308.338 0.626 20 5 DCBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1C[N@@H+](C)CCO1 ZINC000787132687 669352795 /nfs/dbraw/zinc/35/27/95/669352795.db2.gz JYCLKCHYNAPRGN-RNCFNFMXSA-N 1 1 308.338 0.626 20 5 DCBDMO O=C1C[C@@]2(CC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)CN1 ZINC000789355993 669488812 /nfs/dbraw/zinc/48/88/12/669488812.db2.gz WZFXQWFKXIGQBP-HIFRSBDPSA-N 1 1 305.334 0.840 20 5 DCBDMO Nc1cc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc(CO)c1[N+](=O)[O-] ZINC000804397299 670293030 /nfs/dbraw/zinc/29/30/30/670293030.db2.gz WTMZNFWPVVNSIN-STQMWFEESA-N 1 1 322.365 0.944 20 5 DCBDMO Cc1c[nH+]cn1CC(=O)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000859948179 671161998 /nfs/dbraw/zinc/16/19/98/671161998.db2.gz MBPIRKDKSLVBFC-UHFFFAOYSA-N 1 1 306.278 0.505 20 5 DCBDMO C[C@H](NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000827378423 671525547 /nfs/dbraw/zinc/52/55/47/671525547.db2.gz QWWZWCYWGOOGKB-BPNCWPANSA-N 1 1 323.349 0.464 20 5 DCBDMO C[C@H](NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000827378423 671525549 /nfs/dbraw/zinc/52/55/49/671525549.db2.gz QWWZWCYWGOOGKB-BPNCWPANSA-N 1 1 323.349 0.464 20 5 DCBDMO C[C@H]1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000830014568 671604505 /nfs/dbraw/zinc/60/45/05/671604505.db2.gz WVKHLYRQBRRETP-SMDDNHRTSA-N 1 1 323.349 0.153 20 5 DCBDMO C[C@H]1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000830014568 671604506 /nfs/dbraw/zinc/60/45/06/671604506.db2.gz WVKHLYRQBRRETP-SMDDNHRTSA-N 1 1 323.349 0.153 20 5 DCBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000846511423 672322284 /nfs/dbraw/zinc/32/22/84/672322284.db2.gz PVDKGZUWQRPUJI-LLVKDONJSA-N 1 1 306.322 0.068 20 5 DCBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000846511423 672322285 /nfs/dbraw/zinc/32/22/85/672322285.db2.gz PVDKGZUWQRPUJI-LLVKDONJSA-N 1 1 306.322 0.068 20 5 DCBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cnn[nH]1 ZINC001020341401 693774431 /nfs/dbraw/zinc/77/44/31/693774431.db2.gz RNQQMBKEOYQVGU-XYPYZODXSA-N 1 1 316.321 0.764 20 5 DCBDMO C[N@@H+](CCCNC(=O)CC(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC001751954123 1157736132 /nfs/dbraw/zinc/73/61/32/1157736132.db2.gz ZYBDDRJBFHWHIF-UHFFFAOYSA-N 1 1 308.338 0.408 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C/C=C\CNC(=O)C1CCC1 ZINC001568805136 1160779943 /nfs/dbraw/zinc/77/99/43/1160779943.db2.gz LUTYZDVIEMASAI-IHWYPQMZSA-N 1 1 307.354 0.890 20 5 DCBDMO CC(C)NC(=O)CN(C)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001575706164 1164114104 /nfs/dbraw/zinc/11/41/04/1164114104.db2.gz BKTDUGDXKWDNTP-OAHLLOKOSA-N 1 1 322.365 0.752 20 5 DCBDMO Cc1nc(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)n[nH]1 ZINC001620537494 1165272578 /nfs/dbraw/zinc/27/25/78/1165272578.db2.gz WPFMCHIKAPPRTN-UHFFFAOYSA-N 1 1 306.330 0.040 20 5 DCBDMO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[NH+](CCCCCO)CC1 ZINC001586282910 1166493829 /nfs/dbraw/zinc/49/38/29/1166493829.db2.gz SQJVLHYUQGZPIA-UHFFFAOYSA-N 1 1 311.342 0.238 20 5 DCBDMO CC(C)[N@@H+](C)CCNc1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001589678629 1166673866 /nfs/dbraw/zinc/67/38/66/1166673866.db2.gz JTPZQCPERUROPA-UHFFFAOYSA-N 1 1 306.330 0.922 20 5 DCBDMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001629833620 1171559424 /nfs/dbraw/zinc/55/94/24/1171559424.db2.gz FVMDJCNVJQQXGF-DZGCQCFKSA-N 1 1 322.365 0.578 20 5 DCBDMO Nc1cc([N+](=O)[O-])ccc1C(=O)NC1CC([NH+]2CCOCC2)C1 ZINC001630745957 1171579113 /nfs/dbraw/zinc/57/91/13/1171579113.db2.gz HMJAOMBNCKAMOK-UHFFFAOYSA-N 1 1 320.349 0.770 20 5 DCBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001641305699 1171911682 /nfs/dbraw/zinc/91/16/82/1171911682.db2.gz CXTWCVUQILZNFD-SKDRFNHKSA-N 1 1 323.353 0.060 20 5 DCBDMO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC([NH2+]C2COC2)C1 ZINC001645774182 1172135003 /nfs/dbraw/zinc/13/50/03/1172135003.db2.gz ATRPZDKTCZVWTF-UHFFFAOYSA-N 1 1 323.324 0.866 20 5 DCBDMO CN(C(=O)C[N@H+]1C[C@@H]2C(=O)OC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC001647942762 1173062364 /nfs/dbraw/zinc/06/23/64/1173062364.db2.gz QOFSYVJIAAOPQM-GWCFXTLKSA-N 1 1 319.317 0.662 20 5 DCBDMO CN(C(=O)C[N@@H+]1C[C@@H]2C(=O)OC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC001647942762 1173062369 /nfs/dbraw/zinc/06/23/69/1173062369.db2.gz QOFSYVJIAAOPQM-GWCFXTLKSA-N 1 1 319.317 0.662 20 5 DCBDMO COc1ccc(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1[N+](=O)[O-] ZINC001658724177 1173924207 /nfs/dbraw/zinc/92/42/07/1173924207.db2.gz WTDJAGLERZWNRI-AOOOYVTPSA-N 1 1 305.290 0.308 20 5 DCBDMO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001662028933 1174178378 /nfs/dbraw/zinc/17/83/78/1174178378.db2.gz ZHLAXWSKEPWRJT-JYAVWHMHSA-N 1 1 318.333 0.017 20 5 DCBDMO Cc1nocc1C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001673163962 1175176829 /nfs/dbraw/zinc/17/68/29/1175176829.db2.gz HDTBBSNUOUFYMQ-VXGBXAGGSA-N 1 1 308.338 0.777 20 5 DCBDMO O=C(NC/C=C/C[NH2+]Cc1ccc(CO)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC001699254822 1177990945 /nfs/dbraw/zinc/99/09/45/1177990945.db2.gz CKJCFDWRIFDPCL-RIVGAVQESA-N 1 1 319.361 0.606 20 5 DCBDMO O=C(NCCN1CCC([NH2+]CC2CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001699992548 1178410769 /nfs/dbraw/zinc/41/07/69/1178410769.db2.gz BSLORGXNVMKCFF-ZIAGYGMSSA-N 1 1 310.398 0.232 20 5 DCBDMO O=C(NCCCN1CC[NH+](CCC2CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001713068041 1180661110 /nfs/dbraw/zinc/66/11/10/1180661110.db2.gz HBPCLVYDPSEUJI-HUUCEWRRSA-N 1 1 324.425 0.576 20 5 DCBDMO Cc1nnsc1C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001754119541 1188749703 /nfs/dbraw/zinc/74/97/03/1188749703.db2.gz MLOCWHXTFFLEIC-HLKOZVMDSA-N 1 1 311.367 0.274 20 5 DCBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC001164666312 719375128 /nfs/dbraw/zinc/37/51/28/719375128.db2.gz DVMQZBJBFQRHQA-VXGBXAGGSA-N 1 1 322.321 0.296 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)/C=C/c1ccc[nH]1 ZINC001126238654 748333491 /nfs/dbraw/zinc/33/34/91/748333491.db2.gz OCUBWAINEQMPRI-SNAWJCMRSA-N 1 1 318.337 0.576 20 5 DCBDMO O=C(NCC[NH2+]Cc1ccn(C2CCCC2)n1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126932048 750142736 /nfs/dbraw/zinc/14/27/36/750142736.db2.gz GFTWREOSZAYXRX-ZIAGYGMSSA-N 1 1 321.381 0.869 20 5 DCBDMO O=C(NCC[NH2+]Cc1cnc(Cl)s1)[C@@H]1CC1[N+](=O)[O-] ZINC001126932267 750143482 /nfs/dbraw/zinc/14/34/82/750143482.db2.gz OYVGAOOLYYLQQB-HTQZYQBOSA-N 1 1 304.759 0.668 20 5 DCBDMO COc1ccccc1CCC[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126936646 750149420 /nfs/dbraw/zinc/14/94/20/750149420.db2.gz OHADJPNJHGBLSJ-ZIAGYGMSSA-N 1 1 321.377 0.999 20 5 DCBDMO O=C(NCC[NH2+]CCc1ccc(F)c(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936839 750149758 /nfs/dbraw/zinc/14/97/58/750149758.db2.gz UCHGCDWANWZAPB-ZWNOBZJWSA-N 1 1 313.304 0.878 20 5 DCBDMO O=C(NCC[NH2+]Cc1ccc2c(c1)OCCO2)[C@@H]1CC1[N+](=O)[O-] ZINC001126936452 750149804 /nfs/dbraw/zinc/14/98/04/750149804.db2.gz IPPKUQMPRSAPSE-VXGBXAGGSA-N 1 1 321.333 0.329 20 5 DCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001048814499 754957120 /nfs/dbraw/zinc/95/71/20/754957120.db2.gz OJEWZFVRNFOPOA-LXTVHRRPSA-N 1 1 316.361 0.637 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001048814499 754957123 /nfs/dbraw/zinc/95/71/23/754957123.db2.gz OJEWZFVRNFOPOA-LXTVHRRPSA-N 1 1 316.361 0.637 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001048814499 754957127 /nfs/dbraw/zinc/95/71/27/754957127.db2.gz OJEWZFVRNFOPOA-LXTVHRRPSA-N 1 1 316.361 0.637 20 5 DCBDMO COCCC[NH+]1CCN(c2ncnc(OC)c2[N+](=O)[O-])CC1 ZINC001165098333 757212207 /nfs/dbraw/zinc/21/22/07/757212207.db2.gz XHGCCZYNNDQGSF-UHFFFAOYSA-N 1 1 311.342 0.552 20 5 DCBDMO NC(=O)[C@@H]1CN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])CC[NH2+]1 ZINC001166726454 757882358 /nfs/dbraw/zinc/88/23/58/757882358.db2.gz ZDCOFHPZYVGDQZ-LURJTMIESA-N 1 1 320.136 0.560 20 5 DCBDMO CN1CC[N@@H+](C)CC(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000823783492 758270809 /nfs/dbraw/zinc/27/08/09/758270809.db2.gz DKWHGLQROSOVSI-UHFFFAOYSA-N 1 1 320.393 0.747 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)OCC[NH+]1CCSCC1 ZINC001122662669 767853502 /nfs/dbraw/zinc/85/35/02/767853502.db2.gz ODVDXONGTJICAI-UHFFFAOYSA-N 1 1 314.367 0.692 20 5 DCBDMO Cc1ncc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001086084101 759692851 /nfs/dbraw/zinc/69/28/51/759692851.db2.gz CPSWSZHBMVDORX-LYIQGSDWSA-N 1 1 308.338 0.633 20 5 DCBDMO Cc1cc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)no1 ZINC001086363300 760101457 /nfs/dbraw/zinc/10/14/57/760101457.db2.gz MYBJVXFSPNDLHY-FPQZTECRSA-N 1 1 308.338 0.633 20 5 DCBDMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001123493959 767987097 /nfs/dbraw/zinc/98/70/97/767987097.db2.gz CXYDIPOVQTYHPT-IUODEOHRSA-N 1 1 318.377 0.942 20 5 DCBDMO C[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])N1CCN(C)CC1 ZINC001144227744 766830040 /nfs/dbraw/zinc/83/00/40/766830040.db2.gz YHSMMCIFXVYKGA-LBPRGKRZSA-N 1 1 300.403 0.574 20 5 DCBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)C1 ZINC001120936438 767317285 /nfs/dbraw/zinc/31/72/85/767317285.db2.gz OVJCGVHPTHPUIE-LLVKDONJSA-N 1 1 320.349 0.970 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001121291691 767499784 /nfs/dbraw/zinc/49/97/84/767499784.db2.gz OSDPAGOSXYFIBO-GRYCIOLGSA-N 1 1 307.354 0.556 20 5 DCBDMO CCC[N@@H+](C)CC(=O)NCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001093787990 768726382 /nfs/dbraw/zinc/72/63/82/768726382.db2.gz QOCYBLQYZCSIRM-UHFFFAOYSA-N 1 1 311.342 0.565 20 5 DCBDMO COc1cc(C[NH2+][C@@H](C)CS(C)(=O)=O)c([N+](=O)[O-])cc1O ZINC001177844336 770562578 /nfs/dbraw/zinc/56/25/78/770562578.db2.gz NDYFVECHJMCIJO-QMMMGPOBSA-N 1 1 318.351 0.832 20 5 DCBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001181839735 771357426 /nfs/dbraw/zinc/35/74/26/771357426.db2.gz OOEWTBHZCXJXGE-NSHDSACASA-N 1 1 308.338 0.309 20 5 DCBDMO COc1ncc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)n1 ZINC001157766886 771666099 /nfs/dbraw/zinc/66/60/99/771666099.db2.gz BIFAPJWUWJBFAE-VXGBXAGGSA-N 1 1 323.353 0.055 20 5 DCBDMO NC(=O)c1cccc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001157767873 771667014 /nfs/dbraw/zinc/66/70/14/771667014.db2.gz ZFLHTFHTSHVFKT-CHWSQXEVSA-N 1 1 320.349 0.047 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cnc(N)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC001159885488 771973279 /nfs/dbraw/zinc/97/32/79/771973279.db2.gz OMIOCHFFRAKDCB-JMJZKYOTSA-N 1 1 305.338 0.642 20 5 DCBDMO C[C@@H]1COCC[N@@H+]1CCn1nnc(-c2ccccc2[N+](=O)[O-])n1 ZINC001166918136 772879227 /nfs/dbraw/zinc/87/92/27/772879227.db2.gz LHEOLENTBKNUCN-LLVKDONJSA-N 1 1 318.337 0.969 20 5 DCBDMO C[C@@H]1COCC[N@H+]1CCn1nnc(-c2ccccc2[N+](=O)[O-])n1 ZINC001166918136 772879231 /nfs/dbraw/zinc/87/92/31/772879231.db2.gz LHEOLENTBKNUCN-LLVKDONJSA-N 1 1 318.337 0.969 20 5 DCBDMO CC1(C)CC[N@@H+](CCNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001223645328 775507068 /nfs/dbraw/zinc/50/70/68/775507068.db2.gz CEOJXGXCNOODMN-UHFFFAOYSA-N 1 1 324.385 0.822 20 5 DCBDMO O=C(NC1CC[NH+](CCOCC(F)F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001227258110 775951578 /nfs/dbraw/zinc/95/15/78/775951578.db2.gz KJYLLEZJKABWIW-GHMZBOCLSA-N 1 1 321.324 0.514 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCOCC3CCC3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001491313802 943910153 /nfs/dbraw/zinc/91/01/53/943910153.db2.gz KKMCZHBJBRRJRF-QMIVOQANSA-N 1 1 323.393 0.515 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@H+](CCOCC3CCC3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001491313802 943910156 /nfs/dbraw/zinc/91/01/56/943910156.db2.gz KKMCZHBJBRRJRF-QMIVOQANSA-N 1 1 323.393 0.515 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCOCC3CCC3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001491313802 943910161 /nfs/dbraw/zinc/91/01/61/943910161.db2.gz KKMCZHBJBRRJRF-QMIVOQANSA-N 1 1 323.393 0.515 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1CN[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001317119727 944807226 /nfs/dbraw/zinc/80/72/26/944807226.db2.gz XFGSNRJHZUZBAB-PHIMTYICSA-N 1 1 324.385 0.017 20 5 DCBDMO C[N@H+](CCNS(C)(=O)=O)CCOc1cccc([N+](=O)[O-])c1 ZINC001318799667 945446243 /nfs/dbraw/zinc/44/62/43/945446243.db2.gz SXBWAHBJQGPLPG-UHFFFAOYSA-N 1 1 317.367 0.455 20 5 DCBDMO C[N@@H+](CCNS(C)(=O)=O)CCOc1cccc([N+](=O)[O-])c1 ZINC001318799667 945446248 /nfs/dbraw/zinc/44/62/48/945446248.db2.gz SXBWAHBJQGPLPG-UHFFFAOYSA-N 1 1 317.367 0.455 20 5 DCBDMO O=[N+]([O-])c1ccc(CS(=O)(=O)NCC[NH+]2CC=CC2)cc1 ZINC001318997232 945477814 /nfs/dbraw/zinc/47/78/14/945477814.db2.gz LDBOEEQCLOYIAR-UHFFFAOYSA-N 1 1 311.363 0.886 20 5 DCBDMO Cn1cc([N+](=O)[O-])c(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)n1 ZINC001321182443 946202362 /nfs/dbraw/zinc/20/23/62/946202362.db2.gz ZJAXOCVHCQBKLO-UHFFFAOYSA-N 1 1 324.385 0.084 20 5 DCBDMO Cn1nccc1C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC001266135614 950409039 /nfs/dbraw/zinc/40/90/39/950409039.db2.gz QTVPLPZZQONCDY-ZIAGYGMSSA-N 1 1 321.381 0.556 20 5 DCBDMO Cc1noc(C[NH+]2CCC(C(=O)NCCO)CC2)c1[N+](=O)[O-] ZINC001333419526 952052763 /nfs/dbraw/zinc/05/27/63/952052763.db2.gz BTNZCIDRTHEFLC-UHFFFAOYSA-N 1 1 312.326 0.212 20 5 DCBDMO Cc1cccc(C(=O)N2CCN(C3C[NH+](C)C3)CC2)c1[N+](=O)[O-] ZINC001347363726 954078165 /nfs/dbraw/zinc/07/81/65/954078165.db2.gz XIQGBIVCLASCJD-UHFFFAOYSA-N 1 1 318.377 0.975 20 5 DCBDMO C[N@H+]1C[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001472027618 956190543 /nfs/dbraw/zinc/19/05/43/956190543.db2.gz WNPSJPSJXOURLD-GFCCVEGCSA-N 1 1 308.338 0.213 20 5 DCBDMO CC(C)(CO)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001295838991 957827242 /nfs/dbraw/zinc/82/72/42/957827242.db2.gz BBDRWIOEZUWFRT-UHFFFAOYSA-N 1 1 322.365 0.706 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)n1 ZINC001296814558 958051687 /nfs/dbraw/zinc/05/16/87/958051687.db2.gz QHPIFQMDZIATRP-NEPJUHHUSA-N 1 1 322.365 0.825 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)n1 ZINC001296814558 958051699 /nfs/dbraw/zinc/05/16/99/958051699.db2.gz QHPIFQMDZIATRP-NEPJUHHUSA-N 1 1 322.365 0.825 20 5 DCBDMO Cc1ccc(NC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)c(N)c1[N+](=O)[O-] ZINC001304496935 960086301 /nfs/dbraw/zinc/08/63/01/960086301.db2.gz DYHNNAMOHIVKKW-LKFCYVNXSA-N 1 1 308.338 0.879 20 5 DCBDMO Cc1ccc(NC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)c(N)c1[N+](=O)[O-] ZINC001304496935 960086310 /nfs/dbraw/zinc/08/63/10/960086310.db2.gz DYHNNAMOHIVKKW-LKFCYVNXSA-N 1 1 308.338 0.879 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@H+](CCO)C(C)(C)C2)n1 ZINC001447792194 1013549324 /nfs/dbraw/zinc/54/93/24/1013549324.db2.gz QKSBMRORULYDOQ-UHFFFAOYSA-N 1 1 322.365 0.827 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)n1 ZINC001447792194 1013549330 /nfs/dbraw/zinc/54/93/30/1013549330.db2.gz QKSBMRORULYDOQ-UHFFFAOYSA-N 1 1 322.365 0.827 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NCCCn1cc[nH+]c1C ZINC001464359020 1015902156 /nfs/dbraw/zinc/90/21/56/1015902156.db2.gz JEZVIKFACQAAPH-UHFFFAOYSA-N 1 1 306.326 0.811 20 5 DCBDMO CCc1[nH]nc(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC001471373689 1016565993 /nfs/dbraw/zinc/56/59/93/1016565993.db2.gz MJYFXKMHNQGIDR-CYBMUJFWSA-N 1 1 311.342 0.019 20 5 DCBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC001472608367 1016834505 /nfs/dbraw/zinc/83/45/05/1016834505.db2.gz ASUGRXMYEVAAKT-VIFPVBQESA-N 1 1 324.337 0.270 20 5 DCBDMO O=C1NC(=O)[C@@H]2C[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@H]12 ZINC001473489345 1016934162 /nfs/dbraw/zinc/93/41/62/1016934162.db2.gz GAEQQLJBLMACOC-DTORHVGOSA-N 1 1 316.273 0.440 20 5 DCBDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@H]12 ZINC001473489345 1016934175 /nfs/dbraw/zinc/93/41/75/1016934175.db2.gz GAEQQLJBLMACOC-DTORHVGOSA-N 1 1 316.273 0.440 20 5 DCBDMO CC(C)(O)[C@H](O)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001473529073 1016940450 /nfs/dbraw/zinc/94/04/50/1016940450.db2.gz PMZZMAPFWMDXIT-GFCCVEGCSA-N 1 1 310.354 0.244 20 5 DCBDMO Cc1nnc([C@@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)[nH]1 ZINC001473556076 1016950515 /nfs/dbraw/zinc/95/05/15/1016950515.db2.gz JSJJDAXQFWRWQO-LLVKDONJSA-N 1 1 318.337 0.673 20 5 DCBDMO Cc1n[nH]c([C@@H]2CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)n1 ZINC001473556076 1016950529 /nfs/dbraw/zinc/95/05/29/1016950529.db2.gz JSJJDAXQFWRWQO-LLVKDONJSA-N 1 1 318.337 0.673 20 5 DCBDMO Cc1n[nH]c([C@@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)n1 ZINC001473556076 1016950542 /nfs/dbraw/zinc/95/05/42/1016950542.db2.gz JSJJDAXQFWRWQO-LLVKDONJSA-N 1 1 318.337 0.673 20 5 DCBDMO Cc1nc([C@@H]2CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)n[nH]1 ZINC001473556076 1016950553 /nfs/dbraw/zinc/95/05/53/1016950553.db2.gz JSJJDAXQFWRWQO-LLVKDONJSA-N 1 1 318.337 0.673 20 5 DCBDMO Cc1nc([C@@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)n[nH]1 ZINC001473556076 1016950568 /nfs/dbraw/zinc/95/05/68/1016950568.db2.gz JSJJDAXQFWRWQO-LLVKDONJSA-N 1 1 318.337 0.673 20 5 DCBDMO C[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@H]1C[N@@H+](C)CCN1C ZINC001559284831 1012414969 /nfs/dbraw/zinc/41/49/69/1012414969.db2.gz RUXJKWCXSCIAGZ-QMTHXVAHSA-N 1 1 321.381 0.740 20 5 DCBDMO C[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@H]1CN(C)CC[N@@H+]1C ZINC001559284831 1012414979 /nfs/dbraw/zinc/41/49/79/1012414979.db2.gz RUXJKWCXSCIAGZ-QMTHXVAHSA-N 1 1 321.381 0.740 20 5 DCBDMO C[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@H]1CN(C)CC[N@H+]1C ZINC001559284831 1012414988 /nfs/dbraw/zinc/41/49/88/1012414988.db2.gz RUXJKWCXSCIAGZ-QMTHXVAHSA-N 1 1 321.381 0.740 20 5 DCBDMO COc1c(C)[nH]cc(C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)c1=O ZINC001560044143 1012441492 /nfs/dbraw/zinc/44/14/92/1012441492.db2.gz VZXPJITUCWRKHI-UHFFFAOYSA-N 1 1 321.337 0.929 20 5 DCBDMO CS(=O)(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001460739360 1012960884 /nfs/dbraw/zinc/96/08/84/1012960884.db2.gz APLHARZNCWLWCJ-NSHDSACASA-N 1 1 313.379 0.966 20 5 DCBDMO CS(=O)(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001460739360 1012960898 /nfs/dbraw/zinc/96/08/98/1012960898.db2.gz APLHARZNCWLWCJ-NSHDSACASA-N 1 1 313.379 0.966 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](c3ncccn3)C2)c1 ZINC001460853418 1012982143 /nfs/dbraw/zinc/98/21/43/1012982143.db2.gz BXIFZVKUQZQIIY-YPMHNXCESA-N 1 1 318.337 0.432 20 5 DCBDMO CC[N@@H+](C)[C@@H]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001478172535 1017325514 /nfs/dbraw/zinc/32/55/14/1017325514.db2.gz VUMOCOBNOYVVKY-LLVKDONJSA-N 1 1 310.358 0.527 20 5 DCBDMO CCOC(=O)N1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174837250 198391465 /nfs/dbraw/zinc/39/14/65/198391465.db2.gz PZJUEWSRDPOLCZ-UHFFFAOYSA-N 1 1 311.342 0.956 20 5 DCBDMO CCOC(=O)N1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174837250 198391467 /nfs/dbraw/zinc/39/14/67/198391467.db2.gz PZJUEWSRDPOLCZ-UHFFFAOYSA-N 1 1 311.342 0.956 20 5 DCBDMO NC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[NH2+]1 ZINC000283863423 283327438 /nfs/dbraw/zinc/32/74/38/283327438.db2.gz DWZQOUXUEXUVEN-VIFPVBQESA-N 1 1 318.255 0.877 20 5 DCBDMO CC[C@H](C)[N@H+](CC(=O)OC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000281527729 216363217 /nfs/dbraw/zinc/36/32/17/216363217.db2.gz ZUJFIQGISVKLRE-JQWIXIFHSA-N 1 1 314.342 0.426 20 5 DCBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000346179328 254019571 /nfs/dbraw/zinc/01/95/71/254019571.db2.gz 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C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CCN1CCOCC1 ZINC000090525801 395719025 /nfs/dbraw/zinc/71/90/25/395719025.db2.gz DYBPNQBQIFOGPO-UHFFFAOYSA-N 1 1 310.354 0.021 20 5 DCBDMO CCc1nn(C)c(NC2CC[NH+](CC(=O)NC)CC2)c1[N+](=O)[O-] ZINC000094134972 395739940 /nfs/dbraw/zinc/73/99/40/395739940.db2.gz JFQJQLFNTQSWOQ-UHFFFAOYSA-N 1 1 324.385 0.513 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000117284944 395851283 /nfs/dbraw/zinc/85/12/83/395851283.db2.gz RZPXELLZCMVNRL-UHFFFAOYSA-N 1 1 309.370 0.301 20 5 DCBDMO Cn1cncc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273365058 395915599 /nfs/dbraw/zinc/91/55/99/395915599.db2.gz DIFDRSMYPJCMPP-UHFFFAOYSA-N 1 1 324.362 0.892 20 5 DCBDMO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000277432230 396067420 /nfs/dbraw/zinc/06/74/20/396067420.db2.gz DUBIRMBQFIKHAQ-LBPRGKRZSA-N 1 1 307.354 0.924 20 5 DCBDMO COCC[N@@H+](C)CCNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000276576024 396011682 /nfs/dbraw/zinc/01/16/82/396011682.db2.gz NVHKBWCHUYNRHM-UHFFFAOYSA-N 1 1 312.326 0.767 20 5 DCBDMO C[NH+]1CCN(CC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000066696713 396012983 /nfs/dbraw/zinc/01/29/83/396012983.db2.gz IXYYYJOCGRDLOZ-UHFFFAOYSA-N 1 1 321.381 0.370 20 5 DCBDMO CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000176372376 396155062 /nfs/dbraw/zinc/15/50/62/396155062.db2.gz XVEUCENBNGDIJB-JTQLQIEISA-N 1 1 308.338 0.847 20 5 DCBDMO CNC(=O)[C@@H](C)C[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000176372376 396155063 /nfs/dbraw/zinc/15/50/63/396155063.db2.gz XVEUCENBNGDIJB-JTQLQIEISA-N 1 1 308.338 0.847 20 5 DCBDMO CC(C)[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)N1CC[NH+](C)CC1 ZINC000076267752 396200151 /nfs/dbraw/zinc/20/01/51/396200151.db2.gz LDWDQEULRTYUCT-NSHDSACASA-N 1 1 323.401 0.651 20 5 DCBDMO C[N@H+](CCCO)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000282041800 396257958 /nfs/dbraw/zinc/25/79/58/396257958.db2.gz ZXEVXBJUMKRYAI-UHFFFAOYSA-N 1 1 311.294 0.576 20 5 DCBDMO C[N@@H+](CCCO)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000282041800 396257960 /nfs/dbraw/zinc/25/79/60/396257960.db2.gz ZXEVXBJUMKRYAI-UHFFFAOYSA-N 1 1 311.294 0.576 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000080959275 396289745 /nfs/dbraw/zinc/28/97/45/396289745.db2.gz GIWUYIDPHPDPNI-YPMHNXCESA-N 1 1 320.353 0.755 20 5 DCBDMO CC[N@@H+](CCO)CCNCc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000184548879 396298621 /nfs/dbraw/zinc/29/86/21/396298621.db2.gz IGJGNOILCLVDLE-UHFFFAOYSA-N 1 1 313.354 0.713 20 5 DCBDMO CCN(CCO)CC[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000184548879 396298626 /nfs/dbraw/zinc/29/86/26/396298626.db2.gz IGJGNOILCLVDLE-UHFFFAOYSA-N 1 1 313.354 0.713 20 5 DCBDMO CN1CC[C@@H]([N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000265667658 396335804 /nfs/dbraw/zinc/33/58/04/396335804.db2.gz WESGASPFBIJTDK-GXTWGEPZSA-N 1 1 323.349 0.497 20 5 DCBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000285836305 396356767 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CC(C)(C)n1ncnc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591766274 396999917 /nfs/dbraw/zinc/99/99/17/396999917.db2.gz ROKDHQZAZLSPNJ-LLVKDONJSA-N 1 1 323.357 0.289 20 5 DCBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH2+][C@@H](C)C1 ZINC000592369258 397163150 /nfs/dbraw/zinc/16/31/50/397163150.db2.gz FWFUTHRXLZWZQS-VIFPVBQESA-N 1 1 315.351 0.586 20 5 DCBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000592196470 397121936 /nfs/dbraw/zinc/12/19/36/397121936.db2.gz BSMNNDULHBKWCT-VXGBXAGGSA-N 1 1 324.333 0.959 20 5 DCBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000592196470 397121938 /nfs/dbraw/zinc/12/19/38/397121938.db2.gz BSMNNDULHBKWCT-VXGBXAGGSA-N 1 1 324.333 0.959 20 5 DCBDMO O=C(NCC[NH+]1CCC(O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000601618669 397194732 /nfs/dbraw/zinc/19/47/32/397194732.db2.gz BFUWYRGADIEQMD-UHFFFAOYSA-N 1 1 311.313 0.920 20 5 DCBDMO CN1C[C@@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC1=O ZINC000574389458 397261705 /nfs/dbraw/zinc/26/17/05/397261705.db2.gz ULZBRDJYCDEIGR-LBPRGKRZSA-N 1 1 320.349 0.746 20 5 DCBDMO CN1C[C@@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC1=O ZINC000574389458 397261708 /nfs/dbraw/zinc/26/17/08/397261708.db2.gz ULZBRDJYCDEIGR-LBPRGKRZSA-N 1 1 320.349 0.746 20 5 DCBDMO COCCOCC[NH+]1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000593519240 397381058 /nfs/dbraw/zinc/38/10/58/397381058.db2.gz XRWBXWVEQJMDGN-UHFFFAOYSA-N 1 1 311.342 0.170 20 5 DCBDMO Nc1nc(N)[nH+]c(NCCCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000599047417 397327933 /nfs/dbraw/zinc/32/79/33/397327933.db2.gz WDOPUZHUIONZMX-UHFFFAOYSA-N 1 1 303.326 0.462 20 5 DCBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594197253 397512099 /nfs/dbraw/zinc/51/20/99/397512099.db2.gz BLGXCFLSJAXGHI-GHMZBOCLSA-N 1 1 308.342 0.319 20 5 DCBDMO C[N@@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000602906649 397520414 /nfs/dbraw/zinc/52/04/14/397520414.db2.gz YOLBCBWBPMOMGK-LLVKDONJSA-N 1 1 308.338 0.142 20 5 DCBDMO C[N@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000602906649 397520419 /nfs/dbraw/zinc/52/04/19/397520419.db2.gz YOLBCBWBPMOMGK-LLVKDONJSA-N 1 1 308.338 0.142 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000599939267 397545962 /nfs/dbraw/zinc/54/59/62/397545962.db2.gz UQVDETFDWKDDJY-PWSUYJOCSA-N 1 1 308.338 0.214 20 5 DCBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000609383576 397773139 /nfs/dbraw/zinc/77/31/39/397773139.db2.gz VKTOACGGZIBQGV-LBPRGKRZSA-N 1 1 307.354 0.782 20 5 DCBDMO CNS(=O)(=O)c1ccc(NCC(F)(F)C[NH3+])c([N+](=O)[O-])c1 ZINC000162672622 158360048 /nfs/dbraw/zinc/36/00/48/158360048.db2.gz PWUJWYXHQWTUJM-UHFFFAOYSA-N 1 1 324.309 0.509 20 5 DCBDMO C[N@@H+](CCCO)C1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000330606317 159201816 /nfs/dbraw/zinc/20/18/16/159201816.db2.gz NJZUZRLAUFOTAF-UHFFFAOYSA-N 1 1 311.342 0.237 20 5 DCBDMO CN(C)c1cc(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cc[nH+]1 ZINC000344098602 159229020 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DCBDMO CCc1n[nH]c(C(=O)NCC[N@@H+]2CCCOCC2)c1[N+](=O)[O-] ZINC000331605073 415150746 /nfs/dbraw/zinc/15/07/46/415150746.db2.gz JOTQGCNQDOLQDK-UHFFFAOYSA-N 1 1 311.342 0.332 20 5 DCBDMO CCc1n[nH]c(C(=O)NCC[N@H+]2CCCOCC2)c1[N+](=O)[O-] ZINC000331605073 415150753 /nfs/dbraw/zinc/15/07/53/415150753.db2.gz JOTQGCNQDOLQDK-UHFFFAOYSA-N 1 1 311.342 0.332 20 5 DCBDMO Cn1c(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000342956018 415375820 /nfs/dbraw/zinc/37/58/20/415375820.db2.gz NISQXKRYUWQNEA-GFCCVEGCSA-N 1 1 324.381 0.900 20 5 DCBDMO CCOC[C@@H](O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000122267408 415830100 /nfs/dbraw/zinc/83/01/00/415830100.db2.gz FMPJSDJCFHMIDB-AAEUAGOBSA-N 1 1 310.354 0.873 20 5 DCBDMO CN(C)C(=O)O[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000295625474 415900459 /nfs/dbraw/zinc/90/04/59/415900459.db2.gz ORYSTWNRFWLFPI-LLVKDONJSA-N 1 1 311.342 0.954 20 5 DCBDMO CN(C)C(=O)O[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000295625474 415900462 /nfs/dbraw/zinc/90/04/62/415900462.db2.gz ORYSTWNRFWLFPI-LLVKDONJSA-N 1 1 311.342 0.954 20 5 DCBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000151604290 415965493 /nfs/dbraw/zinc/96/54/93/415965493.db2.gz QUBMIYIUVLVVDU-CYBMUJFWSA-N 1 1 319.365 0.733 20 5 DCBDMO CN(C)CC[N@@H+](C)CCCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000297904391 415980910 /nfs/dbraw/zinc/98/09/10/415980910.db2.gz XWKZEZROOQNLGO-UHFFFAOYSA-N 1 1 324.385 0.995 20 5 DCBDMO CN(CCCNC(=O)Nc1ccncc1[N+](=O)[O-])CC[NH+](C)C ZINC000297904391 415980914 /nfs/dbraw/zinc/98/09/14/415980914.db2.gz XWKZEZROOQNLGO-UHFFFAOYSA-N 1 1 324.385 0.995 20 5 DCBDMO CC[N@@H+]1CCO[C@H](C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000174161690 416074487 /nfs/dbraw/zinc/07/44/87/416074487.db2.gz VKOBMDQIVKNRBI-AWEZNQCLSA-N 1 1 323.349 0.940 20 5 DCBDMO CC[N@H+]1CCO[C@H](C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000174161690 416074491 /nfs/dbraw/zinc/07/44/91/416074491.db2.gz VKOBMDQIVKNRBI-AWEZNQCLSA-N 1 1 323.349 0.940 20 5 DCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNc2ncccc2[N+](=O)[O-])C1 ZINC000301201691 416078221 /nfs/dbraw/zinc/07/82/21/416078221.db2.gz WUWUZEKJJJVNOS-NSHDSACASA-N 1 1 307.354 0.989 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000177774820 416152000 /nfs/dbraw/zinc/15/20/00/416152000.db2.gz GJXIXYZNWXHJFI-TZMCWYRMSA-N 1 1 309.370 0.322 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCN3CCCC[C@@H]3C2)c1 ZINC000177774820 416152001 /nfs/dbraw/zinc/15/20/01/416152001.db2.gz GJXIXYZNWXHJFI-TZMCWYRMSA-N 1 1 309.370 0.322 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCN3CCCC[C@@H]3C2)c1 ZINC000177774820 416152002 /nfs/dbraw/zinc/15/20/02/416152002.db2.gz GJXIXYZNWXHJFI-TZMCWYRMSA-N 1 1 309.370 0.322 20 5 DCBDMO C[C@H]1C[N@@H+](C)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000330662386 416226050 /nfs/dbraw/zinc/22/60/50/416226050.db2.gz DHJVDCBGBWIHCE-JSGCOSHPSA-N 1 1 309.366 0.970 20 5 DCBDMO C[C@H]1CN(C)CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000330662386 416226052 /nfs/dbraw/zinc/22/60/52/416226052.db2.gz DHJVDCBGBWIHCE-JSGCOSHPSA-N 1 1 309.366 0.970 20 5 DCBDMO C[C@H]1CN(C)CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000330662386 416226056 /nfs/dbraw/zinc/22/60/56/416226056.db2.gz DHJVDCBGBWIHCE-JSGCOSHPSA-N 1 1 309.366 0.970 20 5 DCBDMO C[N@@H+]1C[C@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000192536120 416306622 /nfs/dbraw/zinc/30/66/22/416306622.db2.gz BRYLTNDBWIMUEL-TXEJJXNPSA-N 1 1 305.334 0.994 20 5 DCBDMO CCCc1n[nH]c(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000192512449 416307252 /nfs/dbraw/zinc/30/72/52/416307252.db2.gz XKKQNERELXIUNV-AOOOYVTPSA-N 1 1 307.354 0.904 20 5 DCBDMO CCCc1[nH]nc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000192512449 416307255 /nfs/dbraw/zinc/30/72/55/416307255.db2.gz XKKQNERELXIUNV-AOOOYVTPSA-N 1 1 307.354 0.904 20 5 DCBDMO CCCc1[nH]nc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000192512449 416307260 /nfs/dbraw/zinc/30/72/60/416307260.db2.gz XKKQNERELXIUNV-AOOOYVTPSA-N 1 1 307.354 0.904 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000248181380 416333202 /nfs/dbraw/zinc/33/32/02/416333202.db2.gz WLRGEELJDFRJAW-NWANDNLSSA-N 1 1 324.381 0.779 20 5 DCBDMO C[N@H+]1CC[C@H](CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000416496115 416372483 /nfs/dbraw/zinc/37/24/83/416372483.db2.gz NVESDHZHPGRSBB-GFCCVEGCSA-N 1 1 313.379 0.966 20 5 DCBDMO Cn1ccnc1[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000536068894 416535778 /nfs/dbraw/zinc/53/57/78/416535778.db2.gz PZSHCYJOAORYQQ-DGCLKSJQSA-N 1 1 320.353 0.375 20 5 DCBDMO CNc1nccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000594236377 416557849 /nfs/dbraw/zinc/55/78/49/416557849.db2.gz NDMKCWYKDNORAR-WDEREUQCSA-N 1 1 319.365 1.388 20 5 DCBDMO C[C@@H](O)C[N@H+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000439156235 416608345 /nfs/dbraw/zinc/60/83/45/416608345.db2.gz LLUKAJSGHNWQOS-WDEREUQCSA-N 1 1 322.365 0.585 20 5 DCBDMO Cn1c(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000609285663 416653615 /nfs/dbraw/zinc/65/36/15/416653615.db2.gz MSGBFTONCMGZPE-DGCLKSJQSA-N 1 1 322.365 0.605 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c1 ZINC000425527371 416714535 /nfs/dbraw/zinc/71/45/35/416714535.db2.gz MHXPOGXMYKCXEO-UZGDPCLZSA-N 1 1 310.354 0.245 20 5 DCBDMO CC(=O)NCC[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000517234126 416789517 /nfs/dbraw/zinc/78/95/17/416789517.db2.gz UZIRMEGLCKULHN-UHFFFAOYSA-N 1 1 308.338 0.991 20 5 DCBDMO CCN1CC[NH+](CCCNC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000518772045 416876059 /nfs/dbraw/zinc/87/60/59/416876059.db2.gz LJFJDVXTRKHOAY-UHFFFAOYSA-N 1 1 323.397 0.691 20 5 DCBDMO CNc1nccc(C(=O)N2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000571545208 417450518 /nfs/dbraw/zinc/45/05/18/417450518.db2.gz IARKQBRWHKGTSU-UHFFFAOYSA-N 1 1 319.365 1.342 20 5 DCBDMO Nc1c(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)cccc1[N+](=O)[O-] ZINC000452373302 417477580 /nfs/dbraw/zinc/47/75/80/417477580.db2.gz VNHBLEIWJZMNHQ-NSHDSACASA-N 1 1 322.365 0.754 20 5 DCBDMO CNc1nc(C(=O)NCCn2cc[nH+]c2C)ccc1[N+](=O)[O-] ZINC000455209913 417595328 /nfs/dbraw/zinc/59/53/28/417595328.db2.gz VDKPOWFAJRDPQE-UHFFFAOYSA-N 1 1 304.310 0.966 20 5 DCBDMO C[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000456208859 417635604 /nfs/dbraw/zinc/63/56/04/417635604.db2.gz IYPKJWMILSBFLX-PHIMTYICSA-N 1 1 322.365 0.704 20 5 DCBDMO C[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000456208859 417635613 /nfs/dbraw/zinc/63/56/13/417635613.db2.gz IYPKJWMILSBFLX-PHIMTYICSA-N 1 1 322.365 0.704 20 5 DCBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000578950036 417688554 /nfs/dbraw/zinc/68/85/54/417688554.db2.gz PPQQGCBFIGTJPB-KWQFWETISA-N 1 1 305.338 0.785 20 5 DCBDMO CNc1nccc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000579255427 417690437 /nfs/dbraw/zinc/69/04/37/417690437.db2.gz FWHJSWMUHRRUOY-VIFPVBQESA-N 1 1 305.338 0.998 20 5 DCBDMO CC1=CC[N@@H+](CCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000355334083 261331859 /nfs/dbraw/zinc/33/18/59/261331859.db2.gz LUSXBWURESVSOI-UHFFFAOYSA-N 1 1 320.349 0.525 20 5 DCBDMO CN1C[C@@H](C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)OC1=O ZINC000495650193 272261536 /nfs/dbraw/zinc/26/15/36/272261536.db2.gz HAPNQTQEONJHMV-PWSUYJOCSA-N 1 1 321.337 0.927 20 5 DCBDMO CSC[C@@H](O)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298146590 274177136 /nfs/dbraw/zinc/17/71/36/274177136.db2.gz RFDZRVGRNJUESB-NSHDSACASA-N 1 1 312.395 0.836 20 5 DCBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC(F)(F)C[NH3+] ZINC000162625663 280259553 /nfs/dbraw/zinc/25/95/53/280259553.db2.gz RSLZCIUSZZKEBG-UHFFFAOYSA-N 1 1 309.294 0.776 20 5 DCBDMO COCCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000266540611 523224894 /nfs/dbraw/zinc/22/48/94/523224894.db2.gz QQHBGMJQPFYICK-UHFFFAOYSA-N 1 1 312.326 0.394 20 5 DCBDMO Cc1ccc(NCCCNC(=O)[C@H]2COCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000237668473 525276271 /nfs/dbraw/zinc/27/62/71/525276271.db2.gz AZRRMFYCFCITLQ-CYBMUJFWSA-N 1 1 322.365 0.810 20 5 DCBDMO Cc1[nH]nc(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000266219794 525465365 /nfs/dbraw/zinc/46/53/65/525465365.db2.gz LKNZGNDRFHIOFM-NSHDSACASA-N 1 1 323.353 0.421 20 5 DCBDMO C[C@H](O)C[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000189712701 525752279 /nfs/dbraw/zinc/75/22/79/525752279.db2.gz GVUYLOHRNPXSOF-LBPRGKRZSA-N 1 1 307.350 0.662 20 5 DCBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(CO)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063689 658814427 /nfs/dbraw/zinc/81/44/27/658814427.db2.gz HGDQQTZHRSKENC-LXTVHRRPSA-N 1 1 319.361 0.581 20 5 DCBDMO COc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)ccn1 ZINC001022063769 658816426 /nfs/dbraw/zinc/81/64/26/658816426.db2.gz MAGDBNJWDVDMRU-YVECIDJPSA-N 1 1 320.349 0.492 20 5 DCBDMO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC001022063389 658820186 /nfs/dbraw/zinc/82/01/86/658820186.db2.gz AFGIOAZLXZPLKP-YVECIDJPSA-N 1 1 320.349 0.492 20 5 DCBDMO C[C@H](C(=O)NCC[N@@H+](C)CCO)c1ccc([N+](=O)[O-])cc1F ZINC000899738188 663185149 /nfs/dbraw/zinc/18/51/49/663185149.db2.gz WJWWEOOBOZYUFE-JTQLQIEISA-N 1 1 313.329 0.878 20 5 DCBDMO Cc1nn(CN2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c(C)c1[N+](=O)[O-] ZINC000902645717 663425682 /nfs/dbraw/zinc/42/56/82/663425682.db2.gz YGWKIYSEGOOQDL-UONOGXRCSA-N 1 1 323.397 0.897 20 5 DCBDMO CN(CC(=O)N1CC[N@H+](C)[C@H](CO)C1)c1ccccc1[N+](=O)[O-] ZINC000913549939 664350773 /nfs/dbraw/zinc/35/07/73/664350773.db2.gz JQOUVASPBAJJLX-LBPRGKRZSA-N 1 1 322.365 0.166 20 5 DCBDMO CN(CC(=O)N1CC[N@@H+](C)[C@H](CO)C1)c1ccccc1[N+](=O)[O-] ZINC000913549939 664350775 /nfs/dbraw/zinc/35/07/75/664350775.db2.gz JQOUVASPBAJJLX-LBPRGKRZSA-N 1 1 322.365 0.166 20 5 DCBDMO NC(=O)[C@H]1CN(c2nc3ccc([N+](=O)[O-])cc3s2)CC[NH2+]1 ZINC000731208812 664845012 /nfs/dbraw/zinc/84/50/12/664845012.db2.gz MPJVMHBOMLOPAX-SECBINFHSA-N 1 1 307.335 0.468 20 5 DCBDMO O=C(CC[NH+]1CCOCC1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000731651295 664875440 /nfs/dbraw/zinc/87/54/40/664875440.db2.gz BLHGCCQYIQOKRE-UHFFFAOYSA-N 1 1 323.349 0.812 20 5 DCBDMO NC(=O)N1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153915861 665065089 /nfs/dbraw/zinc/06/50/89/665065089.db2.gz YJFRCYCGUMHHTN-ZDUSSCGKSA-N 1 1 308.338 0.715 20 5 DCBDMO NC(=O)N1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153915861 665065090 /nfs/dbraw/zinc/06/50/90/665065090.db2.gz YJFRCYCGUMHHTN-ZDUSSCGKSA-N 1 1 308.338 0.715 20 5 DCBDMO O=C(NCC1C[NH+](CCOc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031660739 665271280 /nfs/dbraw/zinc/27/12/80/665271280.db2.gz QLKFFEGRLSWZBT-HUUCEWRRSA-N 1 1 319.361 0.779 20 5 DCBDMO Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)on1 ZINC000997770196 665335937 /nfs/dbraw/zinc/33/59/37/665335937.db2.gz UNFQKKIKNMFFJO-ZIAGYGMSSA-N 1 1 322.365 0.976 20 5 DCBDMO Cc1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC000996428440 666790505 /nfs/dbraw/zinc/79/05/05/666790505.db2.gz CZQGQKJCUQXTKN-CHWSQXEVSA-N 1 1 308.338 0.729 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2cnns2)CC1 ZINC000996429285 666791239 /nfs/dbraw/zinc/79/12/39/666791239.db2.gz OFXMXMXVPNAAKM-GHMZBOCLSA-N 1 1 311.367 0.284 20 5 DCBDMO O=[N+]([O-])c1cc(CO)c(N2CCC[N@H+](CCO)CC2)cc1F ZINC000865510619 667329161 /nfs/dbraw/zinc/32/91/61/667329161.db2.gz NOLFKIMHFYVFFF-UHFFFAOYSA-N 1 1 313.329 0.731 20 5 DCBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000869778073 667681214 /nfs/dbraw/zinc/68/12/14/667681214.db2.gz WDBVKUTXDALLJB-NSHDSACASA-N 1 1 301.387 0.783 20 5 DCBDMO CON(C)C(=O)CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000839032134 667728944 /nfs/dbraw/zinc/72/89/44/667728944.db2.gz KJRFRYCVCGOLNQ-UHFFFAOYSA-N 1 1 323.353 0.522 20 5 DCBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCN3CCOC[C@@H]3C2)cc1 ZINC000755207588 668057963 /nfs/dbraw/zinc/05/79/63/668057963.db2.gz ITUVLZFTPPBMKU-LSDHHAIUSA-N 1 1 307.350 0.645 20 5 DCBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCN3CCOC[C@@H]3C2)cc1 ZINC000755207588 668057964 /nfs/dbraw/zinc/05/79/64/668057964.db2.gz ITUVLZFTPPBMKU-LSDHHAIUSA-N 1 1 307.350 0.645 20 5 DCBDMO C[N@@H+](CCN1CCOCC1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582099 668878461 /nfs/dbraw/zinc/87/84/61/668878461.db2.gz QLPJAUUETBULQP-HNNXBMFYSA-N 1 1 309.366 0.892 20 5 DCBDMO CN1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C)CC1 ZINC000933991455 669559070 /nfs/dbraw/zinc/55/90/70/669559070.db2.gz ASNQWFJXRXVIEI-INIZCTEOSA-N 1 1 322.409 0.807 20 5 DCBDMO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC(C)(C)OC1=O ZINC000795661818 669906457 /nfs/dbraw/zinc/90/64/57/669906457.db2.gz PLVYEPKKZTZWCV-QWRGUYRKSA-N 1 1 312.326 0.178 20 5 DCBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC(C)(C)OC1=O ZINC000795661818 669906460 /nfs/dbraw/zinc/90/64/60/669906460.db2.gz PLVYEPKKZTZWCV-QWRGUYRKSA-N 1 1 312.326 0.178 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC000812322099 670573304 /nfs/dbraw/zinc/57/33/04/670573304.db2.gz GZPBEEQJJQXAFY-NEPJUHHUSA-N 1 1 307.354 0.510 20 5 DCBDMO CCc1n[nH]c(C(=O)N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000812323639 670574286 /nfs/dbraw/zinc/57/42/86/670574286.db2.gz VTQVAFSHSHXYFT-VHSXEESVSA-N 1 1 307.354 0.904 20 5 DCBDMO CCc1[nH]nc(C(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000812323639 670574288 /nfs/dbraw/zinc/57/42/88/670574288.db2.gz VTQVAFSHSHXYFT-VHSXEESVSA-N 1 1 307.354 0.904 20 5 DCBDMO CCc1[nH]nc(C(=O)N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000812323639 670574291 /nfs/dbraw/zinc/57/42/91/670574291.db2.gz VTQVAFSHSHXYFT-VHSXEESVSA-N 1 1 307.354 0.904 20 5 DCBDMO O=C1CC[C@@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)O1 ZINC000851715754 671020102 /nfs/dbraw/zinc/02/01/02/671020102.db2.gz ALCIBGXOKIQSDL-LBPRGKRZSA-N 1 1 306.322 0.817 20 5 DCBDMO C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[C@H](CO)C1 ZINC000826702332 671497196 /nfs/dbraw/zinc/49/71/96/671497196.db2.gz HUNGRSJIUWHSPH-RRFJBIMHSA-N 1 1 319.361 0.833 20 5 DCBDMO C[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[C@H](CO)C1 ZINC000826702332 671497197 /nfs/dbraw/zinc/49/71/97/671497197.db2.gz HUNGRSJIUWHSPH-RRFJBIMHSA-N 1 1 319.361 0.833 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827329845 671523053 /nfs/dbraw/zinc/52/30/53/671523053.db2.gz INCLYFXBOLLPLX-RYUDHWBXSA-N 1 1 307.354 0.652 20 5 DCBDMO C[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H](C)[N@H+]1CCO ZINC000836864965 671836360 /nfs/dbraw/zinc/83/63/60/671836360.db2.gz RTCNKTXRRUYWOL-PHIMTYICSA-N 1 1 322.365 0.704 20 5 DCBDMO C[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1CCO ZINC000836864965 671836366 /nfs/dbraw/zinc/83/63/66/671836366.db2.gz RTCNKTXRRUYWOL-PHIMTYICSA-N 1 1 322.365 0.704 20 5 DCBDMO COc1cc(F)c([N+](=O)[O-])c(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000845721417 672271627 /nfs/dbraw/zinc/27/16/27/672271627.db2.gz CCCHEEMOTHTMTD-SNVBAGLBSA-N 1 1 311.313 0.998 20 5 DCBDMO COc1cc(F)c([N+](=O)[O-])c(N2CC([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC000845721417 672271629 /nfs/dbraw/zinc/27/16/29/672271629.db2.gz CCCHEEMOTHTMTD-SNVBAGLBSA-N 1 1 311.313 0.998 20 5 DCBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cnn[nH]1 ZINC001020342630 693775638 /nfs/dbraw/zinc/77/56/38/693775638.db2.gz MDAFJFRXDJIKCI-XYPYZODXSA-N 1 1 316.321 0.764 20 5 DCBDMO NC(=O)C(=O)N1CC2(C1)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC001072934505 694685811 /nfs/dbraw/zinc/68/58/11/694685811.db2.gz HVTONMYCJOLHLV-UHFFFAOYSA-N 1 1 318.333 0.114 20 5 DCBDMO O=C(NC1(CCO)C[NH+](CC2CCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001570759576 1162614305 /nfs/dbraw/zinc/61/43/05/1162614305.db2.gz GWVOOAPCVPXZAQ-CHWSQXEVSA-N 1 1 311.382 0.395 20 5 DCBDMO Cn1nccc1CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001571113757 1162673893 /nfs/dbraw/zinc/67/38/93/1162673893.db2.gz OCWBHSIAOJXSFM-HBJVGIJOSA-N 1 1 321.381 0.112 20 5 DCBDMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001304661882 1159155274 /nfs/dbraw/zinc/15/52/74/1159155274.db2.gz PHSNCWODUNSHFM-QWHCGFSZSA-N 1 1 308.338 0.594 20 5 DCBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001566330761 1159972143 /nfs/dbraw/zinc/97/21/43/1159972143.db2.gz OFUWHKYETCKTRH-KCJUWKMLSA-N 1 1 305.338 0.785 20 5 DCBDMO Cn1nncc1C(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001567279461 1160293905 /nfs/dbraw/zinc/29/39/05/1160293905.db2.gz WOEKSXFRYOLTAJ-UHFFFAOYSA-N 1 1 318.337 0.585 20 5 DCBDMO C[C@H](C(=O)OCc1cccc([N+](=O)[O-])c1)N1CC[NH2+]CC1=O ZINC001575082328 1163883386 /nfs/dbraw/zinc/88/33/86/1163883386.db2.gz RBBQGLAAXKDFHC-SNVBAGLBSA-N 1 1 307.306 0.458 20 5 DCBDMO C[N@@H+]1C[C@@H]2CCN(c3cc(-c4nn[nH]n4)sc3[N+](=O)[O-])[C@@H]2C1 ZINC001591172423 1167127335 /nfs/dbraw/zinc/12/73/35/1167127335.db2.gz UNGHNSOOTPAFQP-IONNQARKSA-N 1 1 321.366 0.977 20 5 DCBDMO C[N@H+]1C[C@@H]2CCN(c3cc(-c4nn[nH]n4)sc3[N+](=O)[O-])[C@@H]2C1 ZINC001591172423 1167127338 /nfs/dbraw/zinc/12/73/38/1167127338.db2.gz UNGHNSOOTPAFQP-IONNQARKSA-N 1 1 321.366 0.977 20 5 DCBDMO COC[C@@](C)(CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001591369888 1167242598 /nfs/dbraw/zinc/24/25/98/1167242598.db2.gz BGUHZQSNJAAZNF-CYBMUJFWSA-N 1 1 322.325 0.262 20 5 DCBDMO Cn1cc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC001611958668 1171360052 /nfs/dbraw/zinc/36/00/52/1171360052.db2.gz PLUDVWBXAMHCIY-LLVKDONJSA-N 1 1 308.386 0.909 20 5 DCBDMO Cn1cc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)n1 ZINC001611958668 1171360067 /nfs/dbraw/zinc/36/00/67/1171360067.db2.gz PLUDVWBXAMHCIY-LLVKDONJSA-N 1 1 308.386 0.909 20 5 DCBDMO NC(=O)c1cc(N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001613023290 1171366572 /nfs/dbraw/zinc/36/65/72/1171366572.db2.gz UYOQUUPSIGYQMC-ONGXEEELSA-N 1 1 308.313 0.926 20 5 DCBDMO NC(=O)c1cc(N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001613023290 1171366579 /nfs/dbraw/zinc/36/65/79/1171366579.db2.gz UYOQUUPSIGYQMC-ONGXEEELSA-N 1 1 308.313 0.926 20 5 DCBDMO Cc1[nH+]ccn1CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001631669469 1171598394 /nfs/dbraw/zinc/59/83/94/1171598394.db2.gz VEIQZBIHCKYMIO-UHFFFAOYSA-N 1 1 305.294 0.078 20 5 DCBDMO Nc1ncc(C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)cc1[N+](=O)[O-] ZINC001635741847 1171712731 /nfs/dbraw/zinc/71/27/31/1171712731.db2.gz ZMHSFMZYUSHJJK-QWRGUYRKSA-N 1 1 323.328 0.830 20 5 DCBDMO Cn1cc(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)c([N+](=O)[O-])n1 ZINC001645327594 1172036032 /nfs/dbraw/zinc/03/60/32/1172036032.db2.gz AWPRJZGJOFXYNM-LBPRGKRZSA-N 1 1 320.353 0.997 20 5 DCBDMO COc1ccc(C(=O)N2CC([NH2+]C3COC3)C2)cc1[N+](=O)[O-] ZINC001645771293 1172133730 /nfs/dbraw/zinc/13/37/30/1172133730.db2.gz LYFRONFZCCVVNH-UHFFFAOYSA-N 1 1 307.306 0.416 20 5 DCBDMO CCCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001656639496 1173871067 /nfs/dbraw/zinc/87/10/67/1173871067.db2.gz KQMUGQVAHHLRRG-GHMZBOCLSA-N 1 1 323.353 0.353 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](O)[C@H](CO)C1 ZINC001658942433 1173926724 /nfs/dbraw/zinc/92/67/24/1173926724.db2.gz BXEUJRWIMYTRIR-FZMZJTMJSA-N 1 1 323.349 0.517 20 5 DCBDMO CN(CC(C)(C)C[NH2+]Cc1ccon1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001700439762 1178615914 /nfs/dbraw/zinc/61/59/14/1178615914.db2.gz AMFAOQNPTINFTI-VXGBXAGGSA-N 1 1 310.354 0.914 20 5 DCBDMO CCc1nocc1C[NH2+]CCN(CC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001715730644 1181964152 /nfs/dbraw/zinc/96/41/52/1181964152.db2.gz HPIXMHMIMSJHQV-DGCLKSJQSA-N 1 1 310.354 0.840 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCOCC3CC3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001731562747 1185389894 /nfs/dbraw/zinc/38/98/94/1185389894.db2.gz HJSNFUCWJXXXGQ-RGDJUOJXSA-N 1 1 309.366 0.125 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@H+](CCOCC3CC3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001731562747 1185389901 /nfs/dbraw/zinc/38/99/01/1185389901.db2.gz HJSNFUCWJXXXGQ-RGDJUOJXSA-N 1 1 309.366 0.125 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCOCC3CC3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001731562747 1185389905 /nfs/dbraw/zinc/38/99/05/1185389905.db2.gz HJSNFUCWJXXXGQ-RGDJUOJXSA-N 1 1 309.366 0.125 20 5 DCBDMO COCCC[NH2+]CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001732292920 1185759466 /nfs/dbraw/zinc/75/94/66/1185759466.db2.gz ULVSUHZBFHGHPY-ZIAGYGMSSA-N 1 1 313.398 0.906 20 5 DCBDMO Cc1nccnc1C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001754119142 1188748335 /nfs/dbraw/zinc/74/83/35/1188748335.db2.gz HYRZHSWIBQDIQP-FTYDKLPRSA-N 1 1 305.338 0.212 20 5 DCBDMO Cc1cncc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001754120291 1188749598 /nfs/dbraw/zinc/74/95/98/1188749598.db2.gz WDSJVHXBZUSLEO-GWSUEFFPSA-N 1 1 304.350 0.817 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(CNC(=O)C2CCC2)CC1 ZINC001754506467 1188870524 /nfs/dbraw/zinc/87/05/24/1188870524.db2.gz GUBZTMPFCABNBB-UHFFFAOYSA-N 1 1 307.354 0.867 20 5 DCBDMO Cc1ccc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001754882731 1188961290 /nfs/dbraw/zinc/96/12/90/1188961290.db2.gz PEXKHWQQBUYTBM-HUUCEWRRSA-N 1 1 321.377 0.571 20 5 DCBDMO COC(=O)c1ccnc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC001164667608 719399299 /nfs/dbraw/zinc/39/92/99/719399299.db2.gz OGQSEZOTLRCXEX-QWRGUYRKSA-N 1 1 322.321 0.296 20 5 DCBDMO COCC[N@@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001141599630 748868744 /nfs/dbraw/zinc/86/87/44/748868744.db2.gz UKJDBBPMURKYSU-UHFFFAOYSA-N 1 1 310.354 0.875 20 5 DCBDMO CCc1[nH]ccc1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001126614513 749321466 /nfs/dbraw/zinc/32/14/66/749321466.db2.gz SCEJKYMYNYUMCD-UHFFFAOYSA-N 1 1 320.353 0.738 20 5 DCBDMO O=C(NCC[NH2+]Cc1cccc2nsnc21)[C@@H]1CC1[N+](=O)[O-] ZINC001126936291 750148627 /nfs/dbraw/zinc/14/86/27/750148627.db2.gz FLDPXGJPAQDGQI-MWLCHTKSSA-N 1 1 321.362 0.562 20 5 DCBDMO COCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001205230405 752644510 /nfs/dbraw/zinc/64/45/10/752644510.db2.gz PSIALPIVJWVECK-ZIAGYGMSSA-N 1 1 313.398 0.906 20 5 DCBDMO CCn1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001086363363 760101640 /nfs/dbraw/zinc/10/16/40/760101640.db2.gz PWCGVXYKVIGCAD-FMKGYKFTSA-N 1 1 321.381 0.553 20 5 DCBDMO O=C(NC[C@H]1C[C@H]([NH2+]CCc2ccns2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363499 760102770 /nfs/dbraw/zinc/10/27/70/760102770.db2.gz XTMIEKTXEAMZHB-FPQZTECRSA-N 1 1 324.406 0.835 20 5 DCBDMO COC(=O)[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCOCC1 ZINC001168967896 760534284 /nfs/dbraw/zinc/53/42/84/760534284.db2.gz UKAAWMCTUPPXDO-UHTWSYAYSA-N 1 1 300.355 0.990 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)C1(F)CCCC1 ZINC001130622286 763404047 /nfs/dbraw/zinc/40/40/47/763404047.db2.gz AXRXWKQPIDYDOH-UHFFFAOYSA-N 1 1 313.333 0.816 20 5 DCBDMO Cc1nc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)cs1 ZINC001132822825 764665625 /nfs/dbraw/zinc/66/56/25/764665625.db2.gz RHCDGLCDRGXJHA-UHFFFAOYSA-N 1 1 324.366 0.613 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)C(C)(C)C(F)F ZINC001133571631 765023782 /nfs/dbraw/zinc/02/37/82/765023782.db2.gz VVBFENDATIVZEN-UHFFFAOYSA-N 1 1 319.312 0.825 20 5 DCBDMO O=C(CCc1c[nH]nn1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001134013914 765300633 /nfs/dbraw/zinc/30/06/33/765300633.db2.gz ICXIFCZGFHYNOY-UHFFFAOYSA-N 1 1 318.337 0.552 20 5 DCBDMO O=C(CCc1cnn[nH]1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001134013914 765300638 /nfs/dbraw/zinc/30/06/38/765300638.db2.gz ICXIFCZGFHYNOY-UHFFFAOYSA-N 1 1 318.337 0.552 20 5 DCBDMO CCn1ccc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)n1 ZINC001134769215 765663734 /nfs/dbraw/zinc/66/37/34/765663734.db2.gz HUPPMAMPDVIRJD-UHFFFAOYSA-N 1 1 321.341 0.064 20 5 DCBDMO COc1ccc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)o1 ZINC001135660342 766029001 /nfs/dbraw/zinc/02/90/01/766029001.db2.gz FGPUYFHSWMUHIW-UHFFFAOYSA-N 1 1 323.309 0.450 20 5 DCBDMO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CC[NH+](CCO)CC1 ZINC001119384928 766656202 /nfs/dbraw/zinc/65/62/02/766656202.db2.gz DMNWCZQNOPPKRT-UHFFFAOYSA-N 1 1 312.301 0.876 20 5 DCBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)C1 ZINC001120943316 767319526 /nfs/dbraw/zinc/31/95/26/767319526.db2.gz YOUBZAIYQQYLDA-LLVKDONJSA-N 1 1 320.349 0.916 20 5 DCBDMO C[N@@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC001233623250 769412412 /nfs/dbraw/zinc/41/24/12/769412412.db2.gz JFYYSLJDGGSLQX-SECBINFHSA-N 1 1 301.324 0.325 20 5 DCBDMO C[N@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC001233623250 769412416 /nfs/dbraw/zinc/41/24/16/769412416.db2.gz JFYYSLJDGGSLQX-SECBINFHSA-N 1 1 301.324 0.325 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN(C)CC[N@@H+](C)CC2)n1 ZINC001156962858 770984359 /nfs/dbraw/zinc/98/43/59/770984359.db2.gz SCHDKXXWERDEPC-UHFFFAOYSA-N 1 1 321.381 0.618 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN(C)CC[N@H+](C)CC2)n1 ZINC001156962858 770984364 /nfs/dbraw/zinc/98/43/64/770984364.db2.gz SCHDKXXWERDEPC-UHFFFAOYSA-N 1 1 321.381 0.618 20 5 DCBDMO COc1c(O)ccc(C[N@H+](C)CCOCCO)c1[N+](=O)[O-] ZINC001181224700 771253694 /nfs/dbraw/zinc/25/36/94/771253694.db2.gz YBLPIMAPHNNXDQ-UHFFFAOYSA-N 1 1 300.311 0.750 20 5 DCBDMO COc1c(O)ccc(C[N@@H+](C)CCOCCO)c1[N+](=O)[O-] ZINC001181224700 771253698 /nfs/dbraw/zinc/25/36/98/771253698.db2.gz YBLPIMAPHNNXDQ-UHFFFAOYSA-N 1 1 300.311 0.750 20 5 DCBDMO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001157761025 771665359 /nfs/dbraw/zinc/66/53/59/771665359.db2.gz KOZQTIXDKFOOBT-VXGBXAGGSA-N 1 1 308.338 0.351 20 5 DCBDMO O=C(NCCC[NH2+]Cc1cc2n(n1)CCCC2)[C@@H]1CC1[N+](=O)[O-] ZINC001157767553 771665692 /nfs/dbraw/zinc/66/56/92/771665692.db2.gz QJSUDQBVEFZJBU-ZIAGYGMSSA-N 1 1 321.381 0.481 20 5 DCBDMO Cn1cc(Cl)c(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001157767731 771666733 /nfs/dbraw/zinc/66/67/33/771666733.db2.gz SFKOVAFJMXKSQN-LDYMZIIASA-N 1 1 315.761 0.335 20 5 DCBDMO CNC(=O)C[NH+]1CCC(Nc2c(C)c([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001161140276 772174595 /nfs/dbraw/zinc/17/45/95/772174595.db2.gz YWJSAGJTSYPJGA-UHFFFAOYSA-N 1 1 323.353 0.159 20 5 DCBDMO O=C(NCCC1(C[NH2+]Cc2ncccn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164490363 772667692 /nfs/dbraw/zinc/66/76/92/772667692.db2.gz GFUNEEMVSIVBMH-VXGBXAGGSA-N 1 1 319.365 0.518 20 5 DCBDMO CCS(=O)(=O)CC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001196909877 773666568 /nfs/dbraw/zinc/66/65/68/773666568.db2.gz XABYMVKFOAMKOQ-CYBMUJFWSA-N 1 1 316.379 0.827 20 5 DCBDMO CC(C)COCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001227258078 775952047 /nfs/dbraw/zinc/95/20/47/775952047.db2.gz JEIZOVDVTOEZTG-ZIAGYGMSSA-N 1 1 313.398 0.905 20 5 DCBDMO Cn1cnc(C(=O)NCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001266271874 939038478 /nfs/dbraw/zinc/03/84/78/939038478.db2.gz NHFSTWRRZYUJSY-UHFFFAOYSA-N 1 1 318.337 0.585 20 5 DCBDMO Cn1cc(C[NH+]2CCC(N3CCNC3=O)CC2)c([N+](=O)[O-])n1 ZINC001330658399 950576905 /nfs/dbraw/zinc/57/69/05/950576905.db2.gz WACHPINUZLIJDL-UHFFFAOYSA-N 1 1 308.342 0.318 20 5 DCBDMO Cc1nc(N2CCC([NH+]3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC001331316099 951071389 /nfs/dbraw/zinc/07/13/89/951071389.db2.gz UPBWMSLXLGSICY-UHFFFAOYSA-N 1 1 307.354 0.994 20 5 DCBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H]1CC[N@H+](C)C1 ZINC001340068489 953142391 /nfs/dbraw/zinc/14/23/91/953142391.db2.gz WIZSPLSAUGHHAY-VIFPVBQESA-N 1 1 324.312 0.801 20 5 DCBDMO CN1CCN(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001346110765 953801969 /nfs/dbraw/zinc/80/19/69/953801969.db2.gz TVDXDJGXVDEGGX-OAHLLOKOSA-N 1 1 308.382 0.465 20 5 DCBDMO CC[N@H+]1CCN(c2nnc(C[N+](=O)[O-])n2CC2CC2)C[C@H]1C ZINC001346935469 953984675 /nfs/dbraw/zinc/98/46/75/953984675.db2.gz JLQMUAJTEKLAML-LLVKDONJSA-N 1 1 308.386 0.995 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)[C@H]2C1 ZINC001348747938 954453818 /nfs/dbraw/zinc/45/38/18/954453818.db2.gz PSOMZRMQRJEXSK-SRVKXCTJSA-N 1 1 320.349 0.213 20 5 DCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1C[N@@H+](C)CCN1C ZINC001293745161 957424006 /nfs/dbraw/zinc/42/40/06/957424006.db2.gz OOIPAQFDJVBBHJ-MFKMUULPSA-N 1 1 321.381 0.541 20 5 DCBDMO COC(=O)NCC(=O)NCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001480843339 958567029 /nfs/dbraw/zinc/56/70/29/958567029.db2.gz BSVWWPCKHJPPKA-UHFFFAOYSA-N 1 1 324.337 0.499 20 5 DCBDMO COC(=O)NCC(=O)NCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001480843339 958567038 /nfs/dbraw/zinc/56/70/38/958567038.db2.gz BSVWWPCKHJPPKA-UHFFFAOYSA-N 1 1 324.337 0.499 20 5 DCBDMO C[C@H]1C[N@@H+](CCO)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001307836073 960160308 /nfs/dbraw/zinc/16/03/08/960160308.db2.gz CHEQCXQHFSURLY-WFASDCNBSA-N 1 1 309.366 0.627 20 5 DCBDMO Cn1cc([N+](=O)[O-])c(N2CCC(N3CC[NH+](C)CC3)CC2)n1 ZINC001472857461 1016861789 /nfs/dbraw/zinc/86/17/89/1016861789.db2.gz JOHPFFHWFJPQLT-UHFFFAOYSA-N 1 1 308.386 0.545 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC001473390246 1016927083 /nfs/dbraw/zinc/92/70/83/1016927083.db2.gz DHXNYBAZUVZGGT-GVXVVHGQSA-N 1 1 307.354 0.686 20 5 DCBDMO COc1ccc(C(=O)CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC001454648348 1009245215 /nfs/dbraw/zinc/24/52/15/1009245215.db2.gz VYADYXLSMSPDJH-NSHDSACASA-N 1 1 321.333 0.997 20 5 DCBDMO COc1ccc(C(=O)CNC(=O)[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC001454648348 1009245230 /nfs/dbraw/zinc/24/52/30/1009245230.db2.gz VYADYXLSMSPDJH-NSHDSACASA-N 1 1 321.333 0.997 20 5 DCBDMO C[N@@H+](CCNC(=O)c1csc([N+](=O)[O-])c1)CCOCCO ZINC001455177469 1009554033 /nfs/dbraw/zinc/55/40/33/1009554033.db2.gz LKAKNEZXTZTBJP-UHFFFAOYSA-N 1 1 317.367 0.327 20 5 DCBDMO C[N@@H+](CCO)CCNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001455778290 1009964396 /nfs/dbraw/zinc/96/43/96/1009964396.db2.gz CXSOYKAMJNVZEZ-UHFFFAOYSA-N 1 1 315.757 0.831 20 5 DCBDMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH+](CCCCCO)CC1 ZINC001557752441 1012298761 /nfs/dbraw/zinc/29/87/61/1012298761.db2.gz XMTURFDLMFTPSP-UHFFFAOYSA-N 1 1 310.354 0.843 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1c[nH+]c2n1CCC2 ZINC001558325569 1012342666 /nfs/dbraw/zinc/34/26/66/1012342666.db2.gz KRWNLNCWPRNRRL-UHFFFAOYSA-N 1 1 304.310 0.559 20 5 DCBDMO Cc1n[nH]c(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)c1[N+](=O)[O-] ZINC001558538314 1012364531 /nfs/dbraw/zinc/36/45/31/1012364531.db2.gz GPRKWQPASPNOHF-LLVKDONJSA-N 1 1 323.353 0.609 20 5 DCBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H](CO)[C@H]2CO)c1 ZINC001560037610 1012441369 /nfs/dbraw/zinc/44/13/69/1012441369.db2.gz PMFSRQYAWDTITR-NWANDNLSSA-N 1 1 310.350 0.693 20 5 DCBDMO COCC[NH+]1CCN(c2nnc(C[N+](=O)[O-])n2CC2CC2)CC1 ZINC001518299265 1017191130 /nfs/dbraw/zinc/19/11/30/1017191130.db2.gz MEDLBOVJRKWLKY-UHFFFAOYSA-N 1 1 324.385 0.233 20 5 DCBDMO CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1nccnc1C ZINC001479843433 1017868505 /nfs/dbraw/zinc/86/85/05/1017868505.db2.gz DEQWYWMGNOJGEK-TZMCWYRMSA-N 1 1 321.381 0.778 20 5 DCBDMO CC[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1nccnc1C ZINC001479843433 1017868524 /nfs/dbraw/zinc/86/85/24/1017868524.db2.gz DEQWYWMGNOJGEK-TZMCWYRMSA-N 1 1 321.381 0.778 20 5 DCBDMO CC[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1nccnc1C ZINC001479843433 1017868544 /nfs/dbraw/zinc/86/85/44/1017868544.db2.gz DEQWYWMGNOJGEK-TZMCWYRMSA-N 1 1 321.381 0.778 20 5 DCBDMO CC(C)OCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001480391587 1018491451 /nfs/dbraw/zinc/49/14/51/1018491451.db2.gz SDYFTIHZXJVGAM-RGDJUOJXSA-N 1 1 311.382 0.513 20 5 DCBDMO CC(C)OCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001480391587 1018491458 /nfs/dbraw/zinc/49/14/58/1018491458.db2.gz SDYFTIHZXJVGAM-RGDJUOJXSA-N 1 1 311.382 0.513 20 5 DCBDMO CC(C)OCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001480391587 1018491464 /nfs/dbraw/zinc/49/14/64/1018491464.db2.gz SDYFTIHZXJVGAM-RGDJUOJXSA-N 1 1 311.382 0.513 20 5 DCBDMO CN(C)C(=O)C[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181531877 199312585 /nfs/dbraw/zinc/31/25/85/199312585.db2.gz AAXWMOFXIPZVOO-NSHDSACASA-N 1 1 311.338 0.355 20 5 DCBDMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181531877 199312587 /nfs/dbraw/zinc/31/25/87/199312587.db2.gz AAXWMOFXIPZVOO-NSHDSACASA-N 1 1 311.338 0.355 20 5 DCBDMO C[NH+]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000155589048 529776235 /nfs/dbraw/zinc/77/62/35/529776235.db2.gz PJSYKTOPLAYFAU-AWEZNQCLSA-N 1 1 304.350 0.948 20 5 DCBDMO Cc1nn(C)c(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000272621567 210024651 /nfs/dbraw/zinc/02/46/51/210024651.db2.gz LVYHSWNJCWETHO-MNOVXSKESA-N 1 1 307.354 0.803 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](N3CCCCC3)C2)c1 ZINC000331734525 234061483 /nfs/dbraw/zinc/06/14/83/234061483.db2.gz UBAYVVXUGWXOSS-UKRRQHHQSA-N 1 1 323.397 0.712 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](N3CCCCC3)C2)c1 ZINC000331734525 234061488 /nfs/dbraw/zinc/06/14/88/234061488.db2.gz UBAYVVXUGWXOSS-UKRRQHHQSA-N 1 1 323.397 0.712 20 5 DCBDMO Cc1[nH]nc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1[N+](=O)[O-] ZINC000566561194 291312604 /nfs/dbraw/zinc/31/26/04/291312604.db2.gz UMVNEQUXHOVGHL-MFKMUULPSA-N 1 1 323.353 0.595 20 5 DCBDMO COc1cc(C[NH2+]CC(=O)NC2CC2)c([N+](=O)[O-])cc1OC ZINC000263692461 203514780 /nfs/dbraw/zinc/51/47/80/203514780.db2.gz PGWURCZYLRPJJY-UHFFFAOYSA-N 1 1 309.322 0.980 20 5 DCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000264710214 204094261 /nfs/dbraw/zinc/09/42/61/204094261.db2.gz OKBIDPDVQQSKPO-ZDUSSCGKSA-N 1 1 306.366 0.499 20 5 DCBDMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282512912 217053120 /nfs/dbraw/zinc/05/31/20/217053120.db2.gz SFLXYRPRKPOOIT-SNVBAGLBSA-N 1 1 308.338 0.913 20 5 DCBDMO CC[N@H+]1CC[C@H]2OCCN(Cc3c([N+](=O)[O-])ncn3C)[C@@H]2C1 ZINC000339385213 253076392 /nfs/dbraw/zinc/07/63/92/253076392.db2.gz NKFXJIPSDLQUPQ-DGCLKSJQSA-N 1 1 309.370 0.623 20 5 DCBDMO C[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000340926537 253323985 /nfs/dbraw/zinc/32/39/85/253323985.db2.gz JPJHCWHZJJNWAG-ZWNOBZJWSA-N 1 1 305.334 0.939 20 5 DCBDMO C[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000340926537 253323987 /nfs/dbraw/zinc/32/39/87/253323987.db2.gz JPJHCWHZJJNWAG-ZWNOBZJWSA-N 1 1 305.334 0.939 20 5 DCBDMO C[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000340926535 253323991 /nfs/dbraw/zinc/32/39/91/253323991.db2.gz JPJHCWHZJJNWAG-GXFFZTMASA-N 1 1 305.334 0.939 20 5 DCBDMO C[C@H]1C[C@@H](O)C[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000340926535 253323993 /nfs/dbraw/zinc/32/39/93/253323993.db2.gz JPJHCWHZJJNWAG-GXFFZTMASA-N 1 1 305.334 0.939 20 5 DCBDMO Cc1nn(C)c(N(C)CCC[N@H+](C)CCN(C)C)c1[N+](=O)[O-] ZINC000341045561 253338159 /nfs/dbraw/zinc/33/81/59/253338159.db2.gz MUKAMHRXQUYPCC-UHFFFAOYSA-N 1 1 312.418 0.956 20 5 DCBDMO Cc1nn(C)c(N(C)CCCN(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000341045561 253338160 /nfs/dbraw/zinc/33/81/60/253338160.db2.gz MUKAMHRXQUYPCC-UHFFFAOYSA-N 1 1 312.418 0.956 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCc3ccc(O)cc3C2)c1 ZINC000348541288 254243620 /nfs/dbraw/zinc/24/36/20/254243620.db2.gz UFJUCRRXDXOBBE-OAHLLOKOSA-N 1 1 318.333 0.916 20 5 DCBDMO C[C@@H](CO)[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000351522202 254342975 /nfs/dbraw/zinc/34/29/75/254342975.db2.gz JFIPEOXAWTVVGY-FZMZJTMJSA-N 1 1 312.370 0.778 20 5 DCBDMO COC(=O)[C@@H]([NH2+]CCCNc1ncc([N+](=O)[O-])cn1)C(C)C ZINC000294887201 224286811 /nfs/dbraw/zinc/28/68/11/224286811.db2.gz FUPWEIDKMNAETI-NSHDSACASA-N 1 1 311.342 0.974 20 5 DCBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000108784131 395793517 /nfs/dbraw/zinc/79/35/17/395793517.db2.gz KQNSMQUZIIVAFK-NSHDSACASA-N 1 1 307.354 0.782 20 5 DCBDMO C[C@H](CO)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000121446148 395883570 /nfs/dbraw/zinc/88/35/70/395883570.db2.gz VLBWDYNQLAYVGT-LBPRGKRZSA-N 1 1 307.350 0.981 20 5 DCBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154300293 396036130 /nfs/dbraw/zinc/03/61/30/396036130.db2.gz RMCBCHFNDRGBBU-BXUZGUMPSA-N 1 1 324.381 0.824 20 5 DCBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H](O)C[NH+](C)C ZINC000154300293 396036134 /nfs/dbraw/zinc/03/61/34/396036134.db2.gz RMCBCHFNDRGBBU-BXUZGUMPSA-N 1 1 324.381 0.824 20 5 DCBDMO CC[N@@H+](CCO)CCNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000277000105 396043191 /nfs/dbraw/zinc/04/31/91/396043191.db2.gz CXSFFEQPOUSPKM-UHFFFAOYSA-N 1 1 311.338 0.647 20 5 DCBDMO COC(=O)c1cnc(NCCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000276523545 396006986 /nfs/dbraw/zinc/00/69/86/396006986.db2.gz GOFPTIRGLQDJJD-UHFFFAOYSA-N 1 1 324.337 0.911 20 5 DCBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000176527563 396156526 /nfs/dbraw/zinc/15/65/26/396156526.db2.gz HYYCTTIUGREXFV-LLVKDONJSA-N 1 1 322.365 0.706 20 5 DCBDMO COCC[N@H+]1CCCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000264298407 396268988 /nfs/dbraw/zinc/26/89/88/396268988.db2.gz YNHRNNLHSSAEKP-UHFFFAOYSA-N 1 1 311.342 0.421 20 5 DCBDMO COCC[N@@H+]1CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000264298407 396268995 /nfs/dbraw/zinc/26/89/95/396268995.db2.gz YNHRNNLHSSAEKP-UHFFFAOYSA-N 1 1 311.342 0.421 20 5 DCBDMO COCC[N@H+]1CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000264298407 396269000 /nfs/dbraw/zinc/26/90/00/396269000.db2.gz YNHRNNLHSSAEKP-UHFFFAOYSA-N 1 1 311.342 0.421 20 5 DCBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1c([N+](=O)[O-])ncn1C ZINC000263689222 396222915 /nfs/dbraw/zinc/22/29/15/396222915.db2.gz JQEKCYFECBVWHV-NSHDSACASA-N 1 1 324.385 0.683 20 5 DCBDMO C[C@@H]([NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000180404763 396232536 /nfs/dbraw/zinc/23/25/36/396232536.db2.gz HQGGDGOQOSUWGY-MNOVXSKESA-N 1 1 322.365 0.838 20 5 DCBDMO Cc1ccc(C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000264643035 396298782 /nfs/dbraw/zinc/29/87/82/396298782.db2.gz FHTLWBSARCDEDL-ZDUSSCGKSA-N 1 1 306.366 0.879 20 5 DCBDMO CCc1n[nH]c(C(=O)NCc2c[nH+]c(N(C)C)n2C)c1[N+](=O)[O-] ZINC000265519991 396323746 /nfs/dbraw/zinc/32/37/46/396323746.db2.gz HRUVIDKRZOJNRU-UHFFFAOYSA-N 1 1 321.341 0.610 20 5 DCBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000269068680 396383617 /nfs/dbraw/zinc/38/36/17/396383617.db2.gz YFMSUKLPXZNBIG-QWHCGFSZSA-N 1 1 322.369 0.717 20 5 DCBDMO Cn1c(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000580730368 396495638 /nfs/dbraw/zinc/49/56/38/396495638.db2.gz RMYQDMXIJWMYBR-UHFFFAOYSA-N 1 1 304.310 0.619 20 5 DCBDMO C[N@@H+](CCCO)C1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000270404319 396465557 /nfs/dbraw/zinc/46/55/57/396465557.db2.gz WJDYQTCXTWRAIW-UHFFFAOYSA-N 1 1 310.354 0.842 20 5 DCBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 ZINC000293944502 396643442 /nfs/dbraw/zinc/64/34/42/396643442.db2.gz RERHENAXZOTVLQ-WDEREUQCSA-N 1 1 309.326 0.253 20 5 DCBDMO Cc1nn(C)c(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000294011992 396648529 /nfs/dbraw/zinc/64/85/29/396648529.db2.gz YFYQVALOZKHPOE-CQSZACIVSA-N 1 1 307.354 0.805 20 5 DCBDMO CCc1nocc1C[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000293456290 396610843 /nfs/dbraw/zinc/61/08/43/396610843.db2.gz PVCKCBOUROWKEQ-GFCCVEGCSA-N 1 1 309.326 0.835 20 5 DCBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000595506439 396619264 /nfs/dbraw/zinc/61/92/64/396619264.db2.gz CHEYJHDBYCGYDQ-LSDHHAIUSA-N 1 1 323.397 0.570 20 5 DCBDMO O=C1CCCN1C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000595830169 396668164 /nfs/dbraw/zinc/66/81/64/396668164.db2.gz CUAXIUCFJCFMOD-GFCCVEGCSA-N 1 1 307.354 0.736 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCOC3(CCCC3)C2)c1 ZINC000305122072 396737877 /nfs/dbraw/zinc/73/78/77/396737877.db2.gz JXGYJILDSNDRPU-CYBMUJFWSA-N 1 1 310.354 0.797 20 5 DCBDMO CC[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000611088506 396814572 /nfs/dbraw/zinc/81/45/72/396814572.db2.gz ZZGMXHJUEMPLGR-NSHDSACASA-N 1 1 308.338 0.309 20 5 DCBDMO C[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000611598455 396894595 /nfs/dbraw/zinc/89/45/95/396894595.db2.gz ZJHQSBJDYRTXHN-CABZTGNLSA-N 1 1 309.326 0.252 20 5 DCBDMO C[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000611598455 396894598 /nfs/dbraw/zinc/89/45/98/396894598.db2.gz ZJHQSBJDYRTXHN-CABZTGNLSA-N 1 1 309.326 0.252 20 5 DCBDMO CCOc1ccc(C(=O)NCC[N@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000600809068 396948336 /nfs/dbraw/zinc/94/83/36/396948336.db2.gz RLQXXRDZDZUGPD-LBPRGKRZSA-N 1 1 323.349 0.790 20 5 DCBDMO C[N@H+]1CCC[C@@H]1CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598587430 397252038 /nfs/dbraw/zinc/25/20/38/397252038.db2.gz AEAIOZZXEFJTMX-LLVKDONJSA-N 1 1 322.369 0.728 20 5 DCBDMO Cc1nc(N2CC(CN3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000599107143 397339233 /nfs/dbraw/zinc/33/92/33/397339233.db2.gz JNXIQQRTCAPTDB-UHFFFAOYSA-N 1 1 305.382 0.982 20 5 DCBDMO O=c1[nH]cnc2cc(NCC[N@@H+]3CC[C@@H](O)C3)c([N+](=O)[O-])cc12 ZINC000599176021 397354647 /nfs/dbraw/zinc/35/46/47/397354647.db2.gz OLFUAYSPOMVOOZ-SECBINFHSA-N 1 1 319.321 0.722 20 5 DCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593461185 397371343 /nfs/dbraw/zinc/37/13/43/397371343.db2.gz MGLVFRGYNJYRJM-CYBMUJFWSA-N 1 1 324.356 0.638 20 5 DCBDMO CN(C(=O)C[NH+]1C[C@@H](CO)[C@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599531432 397465472 /nfs/dbraw/zinc/46/54/72/397465472.db2.gz XMQBJVXQSPQKHR-RYUDHWBXSA-N 1 1 323.349 0.090 20 5 DCBDMO COc1ccc(CNC(=O)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000609547803 397781824 /nfs/dbraw/zinc/78/18/24/397781824.db2.gz LOSOPOIFQMJUNU-UHFFFAOYSA-N 1 1 322.365 0.467 20 5 DCBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000123691639 158233125 /nfs/dbraw/zinc/23/31/25/158233125.db2.gz ZBEQTFGLGXFGHX-NSHDSACASA-N 1 1 310.358 0.567 20 5 DCBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000356876025 159254918 /nfs/dbraw/zinc/25/49/18/159254918.db2.gz LOJMMQLLGSOTLQ-QWRGUYRKSA-N 1 1 308.338 0.308 20 5 DCBDMO CN(C(=O)C[N@H+]1CC[C@H](CC(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000367372994 159334601 /nfs/dbraw/zinc/33/46/01/159334601.db2.gz VYQCAWPXYVRSTM-LLVKDONJSA-N 1 1 320.349 0.755 20 5 DCBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000408380451 160096149 /nfs/dbraw/zinc/09/61/49/160096149.db2.gz ZKAZSZPBPVWQPI-WDEREUQCSA-N 1 1 308.342 0.129 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@@H+]1CC=CCC1 ZINC000355389453 287180579 /nfs/dbraw/zinc/18/05/79/287180579.db2.gz DUUGXDOAKCGOBN-UHFFFAOYSA-N 1 1 307.354 0.868 20 5 DCBDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000416498972 287238167 /nfs/dbraw/zinc/23/81/67/287238167.db2.gz ZLPUDHXQMLKSFO-NSHDSACASA-N 1 1 313.379 0.966 20 5 DCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000268055731 415152779 /nfs/dbraw/zinc/15/27/79/415152779.db2.gz SRNDQMFVAMLWOF-HNNXBMFYSA-N 1 1 320.393 0.889 20 5 DCBDMO C[C@@H]1C[C@H](N2CCCC2)C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352814865 415336300 /nfs/dbraw/zinc/33/63/00/415336300.db2.gz KCMQXOMBSNCVKQ-VNHYZAJKSA-N 1 1 323.397 0.711 20 5 DCBDMO C[C@@H]1C[C@H](N2CCCC2)C[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352814865 415336307 /nfs/dbraw/zinc/33/63/07/415336307.db2.gz KCMQXOMBSNCVKQ-VNHYZAJKSA-N 1 1 323.397 0.711 20 5 DCBDMO Cc1nn(CCC(=O)NC[C@H]2CC[N@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000104185216 415624223 /nfs/dbraw/zinc/62/42/23/415624223.db2.gz DXVOVYVEPBKCSW-GFCCVEGCSA-N 1 1 309.370 0.866 20 5 DCBDMO CCN1CC[NH+](CCCNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000344634892 415963435 /nfs/dbraw/zinc/96/34/35/415963435.db2.gz DJPWBXKPZMHGRR-UHFFFAOYSA-N 1 1 324.385 0.384 20 5 DCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000357256894 416054252 /nfs/dbraw/zinc/05/42/52/416054252.db2.gz PHDAISDHYKPAPY-CYBMUJFWSA-N 1 1 324.356 0.638 20 5 DCBDMO Cc1nn(C)c(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000301278092 416079307 /nfs/dbraw/zinc/07/93/07/416079307.db2.gz LJNKHMUCHIEWTQ-LLVKDONJSA-N 1 1 324.385 0.636 20 5 DCBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](CN3CCOCC3)C2)n1 ZINC000176263387 416121409 /nfs/dbraw/zinc/12/14/09/416121409.db2.gz URCYLYHQKIJZAL-CYBMUJFWSA-N 1 1 309.370 0.445 20 5 DCBDMO Cc1c(CC(=O)NC[C@]2(O)CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000358053465 416178333 /nfs/dbraw/zinc/17/83/33/416178333.db2.gz IRBUEUGIMRDVNI-OAHLLOKOSA-N 1 1 307.350 0.629 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000358073482 416187258 /nfs/dbraw/zinc/18/72/58/416187258.db2.gz CINBCWSNBLWHSH-HNNXBMFYSA-N 1 1 322.365 0.580 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000358080175 416189273 /nfs/dbraw/zinc/18/92/73/416189273.db2.gz ZUEJYHABROMCHN-HNNXBMFYSA-N 1 1 307.350 0.710 20 5 DCBDMO Cc1nn(CCC(=O)N2CC[N@@H+](C)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000330677427 416228761 /nfs/dbraw/zinc/22/87/61/416228761.db2.gz VCNFYWZYYOUVBP-SNVBAGLBSA-N 1 1 309.370 0.961 20 5 DCBDMO Cc1nn(CCC(=O)N2CC[N@H+](C)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000330677427 416228763 /nfs/dbraw/zinc/22/87/63/416228763.db2.gz VCNFYWZYYOUVBP-SNVBAGLBSA-N 1 1 309.370 0.961 20 5 DCBDMO C[C@@H]1CC[N@@H+](CCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000533038594 416469438 /nfs/dbraw/zinc/46/94/38/416469438.db2.gz UUDSIJWXUKMETG-LLVKDONJSA-N 1 1 308.338 0.215 20 5 DCBDMO CCn1cc(C[N@H+](CCO)CCn2ccc([N+](=O)[O-])n2)cn1 ZINC000361350407 416431063 /nfs/dbraw/zinc/43/10/63/416431063.db2.gz FSPUSPJSGJDRMG-UHFFFAOYSA-N 1 1 308.342 0.502 20 5 DCBDMO CCn1cc(C[N@@H+](CCO)CCn2ccc([N+](=O)[O-])n2)cn1 ZINC000361350407 416431065 /nfs/dbraw/zinc/43/10/65/416431065.db2.gz FSPUSPJSGJDRMG-UHFFFAOYSA-N 1 1 308.342 0.502 20 5 DCBDMO C[C@H](CO)[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CCC1 ZINC000361500585 416441509 /nfs/dbraw/zinc/44/15/09/416441509.db2.gz GTDDBHCUXFTVKX-BXUZGUMPSA-N 1 1 312.370 0.635 20 5 DCBDMO C[C@H](O)C[N@H+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@H]1C ZINC000439156233 416609004 /nfs/dbraw/zinc/60/90/04/416609004.db2.gz LLUKAJSGHNWQOS-MNOVXSKESA-N 1 1 322.365 0.585 20 5 DCBDMO Nc1nccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000548738471 416690840 /nfs/dbraw/zinc/69/08/40/416690840.db2.gz SMKQUFZFPHKLIS-WDEREUQCSA-N 1 1 305.338 0.929 20 5 DCBDMO O=C(CC[N@@H+]1CC[C@H](CO)[C@@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000559284125 416807114 /nfs/dbraw/zinc/80/71/14/416807114.db2.gz YJYDUCHAJXTFIQ-RISCZKNCSA-N 1 1 323.349 0.599 20 5 DCBDMO C[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000524347153 417102958 /nfs/dbraw/zinc/10/29/58/417102958.db2.gz GUROXGDSOOEYNU-GFCCVEGCSA-N 1 1 306.366 0.847 20 5 DCBDMO Cn1cc[nH+]c1N1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000448257274 417065830 /nfs/dbraw/zinc/06/58/30/417065830.db2.gz SXCYSEDHWPUNRS-UHFFFAOYSA-N 1 1 304.310 0.619 20 5 DCBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@H](C)C1 ZINC000527253261 417228859 /nfs/dbraw/zinc/22/88/59/417228859.db2.gz KHDHVFSLFGRYAY-GHMZBOCLSA-N 1 1 310.354 0.460 20 5 DCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@H](C)C1 ZINC000527253261 417228867 /nfs/dbraw/zinc/22/88/67/417228867.db2.gz KHDHVFSLFGRYAY-GHMZBOCLSA-N 1 1 310.354 0.460 20 5 DCBDMO COC(=O)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@H+](C)C1 ZINC000413925437 417252618 /nfs/dbraw/zinc/25/26/18/417252618.db2.gz UPVHSQUCEIWCDH-SECBINFHSA-N 1 1 310.310 0.100 20 5 DCBDMO COC(=O)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@@H+](C)C1 ZINC000413925437 417252624 /nfs/dbraw/zinc/25/26/24/417252624.db2.gz UPVHSQUCEIWCDH-SECBINFHSA-N 1 1 310.310 0.100 20 5 DCBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000452386005 417479494 /nfs/dbraw/zinc/47/94/94/417479494.db2.gz WIDANPFJALUEPL-JTQLQIEISA-N 1 1 323.353 0.149 20 5 DCBDMO CNc1nc(C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)ccc1[N+](=O)[O-] ZINC000455510197 417607358 /nfs/dbraw/zinc/60/73/58/417607358.db2.gz AHCNTEXKNMXLBD-SNVBAGLBSA-N 1 1 323.353 0.482 20 5 DCBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@H](C)[N@H+]1CCO ZINC000456223429 417635743 /nfs/dbraw/zinc/63/57/43/417635743.db2.gz KBSZOBHNMHHOBN-PHIMTYICSA-N 1 1 310.354 0.460 20 5 DCBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C[C@H](C)[N@@H+]1CCO ZINC000456223429 417635746 /nfs/dbraw/zinc/63/57/46/417635746.db2.gz KBSZOBHNMHHOBN-PHIMTYICSA-N 1 1 310.354 0.460 20 5 DCBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CC3(CO)COC3)CC2)cn1 ZINC000531801716 417640431 /nfs/dbraw/zinc/64/04/31/417640431.db2.gz CIPIBGJTDRPKCG-UHFFFAOYSA-N 1 1 308.338 0.121 20 5 DCBDMO CC(C)Oc1nc(NC[C@@]2(O)CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000577528954 417678287 /nfs/dbraw/zinc/67/82/87/417678287.db2.gz KZYAIATXZNOOBA-AWEZNQCLSA-N 1 1 310.354 1.256 20 5 DCBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](CCO)CCCO ZINC000273391658 261170166 /nfs/dbraw/zinc/17/01/66/261170166.db2.gz VAOHLCDNMIYIAB-LBPRGKRZSA-N 1 1 314.338 0.011 20 5 DCBDMO CC[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@H+]1CCOC ZINC000355939990 261377890 /nfs/dbraw/zinc/37/78/90/261377890.db2.gz YKKMZMZURSYFCK-GFCCVEGCSA-N 1 1 311.386 0.871 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000363223800 262106770 /nfs/dbraw/zinc/10/67/70/262106770.db2.gz JRPRLNYFROGAJJ-RYUDHWBXSA-N 1 1 323.353 0.079 20 5 DCBDMO COCC(COC)[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000413472262 262213072 /nfs/dbraw/zinc/21/30/72/262213072.db2.gz JPPXOKBSDFGVTQ-UHFFFAOYSA-N 1 1 310.354 0.773 20 5 DCBDMO C[N@H+]1CC[C@@](O)(CNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000492557123 272134841 /nfs/dbraw/zinc/13/48/41/272134841.db2.gz BLGQTJSSNOHROD-UYWPIULCSA-N 1 1 323.324 0.930 20 5 DCBDMO CN(C)CC[N@@H+](C)CCCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000494842597 272232440 /nfs/dbraw/zinc/23/24/40/272232440.db2.gz QXWFUARYEPNQTN-UHFFFAOYSA-N 1 1 323.397 0.790 20 5 DCBDMO CN(CCCNC(=O)c1c(N)cccc1[N+](=O)[O-])CC[NH+](C)C ZINC000494842597 272232441 /nfs/dbraw/zinc/23/24/41/272232441.db2.gz QXWFUARYEPNQTN-UHFFFAOYSA-N 1 1 323.397 0.790 20 5 DCBDMO C[C@H](O)C[NH+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000189191880 279576127 /nfs/dbraw/zinc/57/61/27/279576127.db2.gz DQSGBJOUSISAFD-JTQLQIEISA-N 1 1 308.338 0.197 20 5 DCBDMO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000577727106 341932249 /nfs/dbraw/zinc/93/22/49/341932249.db2.gz ZIYJVRQUCAGNTB-ZWKOPEQDSA-N 1 1 309.322 0.925 20 5 DCBDMO C[C@H](O)C[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000189739415 525753417 /nfs/dbraw/zinc/75/34/17/525753417.db2.gz NCQVTKGIUOKYEA-LBPRGKRZSA-N 1 1 323.349 0.499 20 5 DCBDMO C[C@H](O)C[NH+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000189691844 525762346 /nfs/dbraw/zinc/76/23/46/525762346.db2.gz RRACGAWGYUXJEX-JTQLQIEISA-N 1 1 308.338 0.316 20 5 DCBDMO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1(CO)CC1 ZINC000285566444 536174270 /nfs/dbraw/zinc/17/42/70/536174270.db2.gz SBOOKAGOPXXICI-UHFFFAOYSA-N 1 1 323.305 0.719 20 5 DCBDMO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1(CO)CC1 ZINC000285566444 536174274 /nfs/dbraw/zinc/17/42/74/536174274.db2.gz SBOOKAGOPXXICI-UHFFFAOYSA-N 1 1 323.305 0.719 20 5 DCBDMO CCOC(=O)[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000932644323 658696812 /nfs/dbraw/zinc/69/68/12/658696812.db2.gz IZABLRKKAHFHNT-NSHDSACASA-N 1 1 309.322 0.642 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775191 659557224 /nfs/dbraw/zinc/55/72/24/659557224.db2.gz CEDQPPUTFNTDEG-RGDJUOJXSA-N 1 1 302.334 0.293 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccn3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775191 659557225 /nfs/dbraw/zinc/55/72/25/659557225.db2.gz CEDQPPUTFNTDEG-RGDJUOJXSA-N 1 1 302.334 0.293 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775191 659557227 /nfs/dbraw/zinc/55/72/27/659557227.db2.gz CEDQPPUTFNTDEG-RGDJUOJXSA-N 1 1 302.334 0.293 20 5 DCBDMO Cc1nn(C)c(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000726163824 661652446 /nfs/dbraw/zinc/65/24/46/661652446.db2.gz OEKRXXLYOAQOKD-MNOVXSKESA-N 1 1 323.353 0.230 20 5 DCBDMO CN1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC[N@@H+](C)CC1 ZINC000897095274 662390699 /nfs/dbraw/zinc/39/06/99/662390699.db2.gz QKLVENINWCILJS-UHFFFAOYSA-N 1 1 323.397 0.353 20 5 DCBDMO CN1CCN(c2nc3sccn3c2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC000897099276 662393986 /nfs/dbraw/zinc/39/39/86/662393986.db2.gz KNKSERHGQGLRRQ-UHFFFAOYSA-N 1 1 324.410 0.988 20 5 DCBDMO O=C(NC[C@@H]1CCCO1)c1cccc(C[NH2+]CC[N+](=O)[O-])c1 ZINC000905058464 663529401 /nfs/dbraw/zinc/52/94/01/663529401.db2.gz AEZCMCKXAJAFCL-AWEZNQCLSA-N 1 1 307.350 0.962 20 5 DCBDMO CC(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC000941407786 665991506 /nfs/dbraw/zinc/99/15/06/665991506.db2.gz WQUWBNJWBHBXDG-ZIAGYGMSSA-N 1 1 310.398 0.136 20 5 DCBDMO C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H](CO)C1 ZINC000912736490 664213540 /nfs/dbraw/zinc/21/35/40/664213540.db2.gz VZTPPTFLLNBPCE-QLFBSQMISA-N 1 1 319.361 0.833 20 5 DCBDMO C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H](CO)C1 ZINC000912736490 664213542 /nfs/dbraw/zinc/21/35/42/664213542.db2.gz VZTPPTFLLNBPCE-QLFBSQMISA-N 1 1 319.361 0.833 20 5 DCBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 ZINC000730841592 664819821 /nfs/dbraw/zinc/81/98/21/664819821.db2.gz LHFQSMVSNSVCMF-NSHDSACASA-N 1 1 322.365 0.936 20 5 DCBDMO CN(CC(=O)N1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000915212238 664872544 /nfs/dbraw/zinc/87/25/44/664872544.db2.gz JAGMLFQSYRXHFF-UHFFFAOYSA-N 1 1 310.329 0.944 20 5 DCBDMO C[NH+]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000915280145 664881048 /nfs/dbraw/zinc/88/10/48/664881048.db2.gz ISXYCMZWZZFORT-UHFFFAOYSA-N 1 1 303.322 0.719 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]Cc2ccon2)CC1 ZINC000997773972 665337208 /nfs/dbraw/zinc/33/72/08/665337208.db2.gz ZMVZTPWSRQWOTM-CHWSQXEVSA-N 1 1 308.338 0.668 20 5 DCBDMO O=C(NC1CC[NH+](CCn2cccn2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002785761 666221374 /nfs/dbraw/zinc/22/13/74/666221374.db2.gz VNQUTBMZEXUETA-CHWSQXEVSA-N 1 1 307.354 0.129 20 5 DCBDMO O=[N+]([O-])c1ccc(NC(=S)NCC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000863253009 667122239 /nfs/dbraw/zinc/12/22/39/667122239.db2.gz GHYNTLRKWCENSV-LBPRGKRZSA-N 1 1 310.379 0.948 20 5 DCBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000841456764 667178033 /nfs/dbraw/zinc/17/80/33/667178033.db2.gz LWQLALUBEQRCOH-NWDGAFQWSA-N 1 1 301.387 0.735 20 5 DCBDMO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000923366280 667517322 /nfs/dbraw/zinc/51/73/22/667517322.db2.gz JHCWCTWJMSWQSA-HOTGVXAUSA-N 1 1 320.393 0.608 20 5 DCBDMO CCN1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC000870913997 667772233 /nfs/dbraw/zinc/77/22/33/667772233.db2.gz HUAXOAGMPNLEBP-HNNXBMFYSA-N 1 1 306.366 0.933 20 5 DCBDMO CN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C)CC1 ZINC000888998810 667947837 /nfs/dbraw/zinc/94/78/37/667947837.db2.gz KLRRTWPLDHMLOE-UHFFFAOYSA-N 1 1 320.393 0.843 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)OCCC[NH+]1CCOCC1 ZINC000750884818 667990539 /nfs/dbraw/zinc/99/05/39/667990539.db2.gz STRWVMZPQASTFW-UHFFFAOYSA-N 1 1 312.326 0.365 20 5 DCBDMO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC000926140551 668376876 /nfs/dbraw/zinc/37/68/76/668376876.db2.gz CPZXFKYOGGUZPD-QTPLKFIXSA-N 1 1 311.382 0.248 20 5 DCBDMO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000926140551 668376878 /nfs/dbraw/zinc/37/68/78/668376878.db2.gz CPZXFKYOGGUZPD-QTPLKFIXSA-N 1 1 311.382 0.248 20 5 DCBDMO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000926140551 668376883 /nfs/dbraw/zinc/37/68/83/668376883.db2.gz CPZXFKYOGGUZPD-QTPLKFIXSA-N 1 1 311.382 0.248 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000878917220 668950450 /nfs/dbraw/zinc/95/04/50/668950450.db2.gz DOTQZTNXKBVNNA-NSHDSACASA-N 1 1 309.326 0.626 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3ccncc3[N+](=O)[O-])CC[C@H]21 ZINC000879072127 668979420 /nfs/dbraw/zinc/97/94/20/668979420.db2.gz RNCTUXOXUYNREB-ZYHUDNBSSA-N 1 1 305.338 0.970 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000879573508 669065068 /nfs/dbraw/zinc/06/50/68/669065068.db2.gz OYCHQGMXAHRLJN-XBFCOCLRSA-N 1 1 309.370 0.178 20 5 DCBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2CCn1cc([N+](=O)[O-])ccc1=O ZINC000880137931 669164507 /nfs/dbraw/zinc/16/45/07/669164507.db2.gz MYTYYUQTADLUKI-ZIAGYGMSSA-N 1 1 306.366 0.925 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000880527784 669226601 /nfs/dbraw/zinc/22/66/01/669226601.db2.gz VBUDQBVXFUQPAR-WCQYABFASA-N 1 1 307.354 0.700 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000880527784 669226604 /nfs/dbraw/zinc/22/66/04/669226604.db2.gz VBUDQBVXFUQPAR-WCQYABFASA-N 1 1 307.354 0.700 20 5 DCBDMO O=C1C[C@]2(CC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)CN1 ZINC000789355992 669489241 /nfs/dbraw/zinc/48/92/41/669489241.db2.gz WZFXQWFKXIGQBP-DZGCQCFKSA-N 1 1 305.334 0.840 20 5 DCBDMO CN1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C)CC1 ZINC000933991456 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VILKAKZONROWLT-VXGBXAGGSA-N 1 1 301.387 0.735 20 5 DCBDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000830871837 671645110 /nfs/dbraw/zinc/64/51/10/671645110.db2.gz OSSWFPYPXXMRGF-XBFCOCLRSA-N 1 1 324.333 0.484 20 5 DCBDMO Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)sn1 ZINC001020139500 693710325 /nfs/dbraw/zinc/71/03/25/693710325.db2.gz BLLYUNAJBRUKKM-CNVPUSNMSA-N 1 1 310.379 0.854 20 5 DCBDMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(CO)cc1 ZINC001567333252 1160316144 /nfs/dbraw/zinc/31/61/44/1160316144.db2.gz OTOSVYQWKXBAFZ-HUUCEWRRSA-N 1 1 321.377 0.782 20 5 DCBDMO CC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccc(CO)cc1 ZINC001567333252 1160316151 /nfs/dbraw/zinc/31/61/51/1160316151.db2.gz OTOSVYQWKXBAFZ-HUUCEWRRSA-N 1 1 321.377 0.782 20 5 DCBDMO CC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccc(CO)cc1 ZINC001567333252 1160316157 /nfs/dbraw/zinc/31/61/57/1160316157.db2.gz OTOSVYQWKXBAFZ-HUUCEWRRSA-N 1 1 321.377 0.782 20 5 DCBDMO CCN(CC[NH2+]Cc1ccc(OC)nc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001568742102 1160756504 /nfs/dbraw/zinc/75/65/04/1160756504.db2.gz LMWXJEUMYXXKMC-CHWSQXEVSA-N 1 1 322.365 0.694 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1OC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC001579241919 1165247728 /nfs/dbraw/zinc/24/77/28/1165247728.db2.gz IVUCHLGFTVFZAC-VIFPVBQESA-N 1 1 323.305 0.329 20 5 DCBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1[NH2+]CCc2occc21 ZINC001580703408 1165692700 /nfs/dbraw/zinc/69/27/00/1165692700.db2.gz RKFNEPVNTJRUHO-GFCCVEGCSA-N 1 1 305.294 0.388 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNc2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC001591180671 1167132052 /nfs/dbraw/zinc/13/20/52/1167132052.db2.gz PBWSCHVBEAYUHT-ZDUSSCGKSA-N 1 1 319.325 0.253 20 5 DCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H]1CO ZINC001593466814 1167859056 /nfs/dbraw/zinc/85/90/56/1167859056.db2.gz IEDHQLCOTMDTDX-NSHDSACASA-N 1 1 304.310 0.732 20 5 DCBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001620969389 1167996702 /nfs/dbraw/zinc/99/67/02/1167996702.db2.gz IKICYZHRDLOWFV-SNVBAGLBSA-N 1 1 307.354 0.986 20 5 DCBDMO CO[C@@H]1CC[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001605144938 1169845172 /nfs/dbraw/zinc/84/51/72/1169845172.db2.gz PLCJXTMKPKQLCV-SECBINFHSA-N 1 1 304.310 0.996 20 5 DCBDMO O=[N+]([O-])c1cccc(C[NH2+]CCn2cnc(-c3nn[nH]n3)n2)c1 ZINC001607084494 1170385203 /nfs/dbraw/zinc/38/52/03/1170385203.db2.gz IXGRMXFQMAFUIN-UHFFFAOYSA-N 1 1 315.297 0.156 20 5 DCBDMO O=[N+]([O-])c1cnc(N2CC[NH+](C3CC3)CC2)c(-c2nn[nH]n2)c1 ZINC001609603387 1171039422 /nfs/dbraw/zinc/03/94/22/1171039422.db2.gz ADVGTXXWEAZZSO-UHFFFAOYSA-N 1 1 316.325 0.454 20 5 DCBDMO C[C@@H]1[C@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC[N@H+]1C ZINC001612939394 1171365846 /nfs/dbraw/zinc/36/58/46/1171365846.db2.gz CHMAUODMQVSLQV-PSASIEDQSA-N 1 1 314.367 0.747 20 5 DCBDMO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001620436480 1171402889 /nfs/dbraw/zinc/40/28/89/1171402889.db2.gz XRGQOKHXDYJMHQ-FZMZJTMJSA-N 1 1 309.322 0.011 20 5 DCBDMO C[C@@]1(CO)C[C@H](O)C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001620436480 1171402892 /nfs/dbraw/zinc/40/28/92/1171402892.db2.gz XRGQOKHXDYJMHQ-FZMZJTMJSA-N 1 1 309.322 0.011 20 5 DCBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H](c2nn[nH]n2)C1 ZINC001620535864 1171403735 /nfs/dbraw/zinc/40/37/35/1171403735.db2.gz DEFXBRVVIYCTMO-SNVBAGLBSA-N 1 1 304.310 0.976 20 5 DCBDMO C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@H+](C2CC2)C1 ZINC001625284248 1171469193 /nfs/dbraw/zinc/46/91/93/1171469193.db2.gz GEJXCXPCGDKJIS-JTQLQIEISA-N 1 1 307.354 0.885 20 5 DCBDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001628764005 1171535821 /nfs/dbraw/zinc/53/58/21/1171535821.db2.gz PVYSHTSCJSOLAH-ABAIWWIYSA-N 1 1 322.365 0.578 20 5 DCBDMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001628764007 1171536354 /nfs/dbraw/zinc/53/63/54/1171536354.db2.gz PVYSHTSCJSOLAH-NHYWBVRUSA-N 1 1 322.365 0.578 20 5 DCBDMO COCCC[N@@H+](C)CCNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001629080447 1171540894 /nfs/dbraw/zinc/54/08/94/1171540894.db2.gz NEZYBTMRLGSQRC-UHFFFAOYSA-N 1 1 311.342 0.270 20 5 DCBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)C[NH+]1CCOCC1 ZINC001634351437 1171672651 /nfs/dbraw/zinc/67/26/51/1171672651.db2.gz SLXGKLNMFKUGTE-NSHDSACASA-N 1 1 322.365 0.875 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001636885129 1171751508 /nfs/dbraw/zinc/75/15/08/1171751508.db2.gz ULHXNGZXAFGDEB-NEPJUHHUSA-N 1 1 308.338 0.594 20 5 DCBDMO C[N@H+]1C[C@@]2(C)CN(c3ncc([N+](=O)[O-])cc3C(N)=O)C[C@@]2(C)C1 ZINC001651302175 1173745746 /nfs/dbraw/zinc/74/57/46/1173745746.db2.gz ZVBISEUTKHBHMY-GASCZTMLSA-N 1 1 319.365 0.867 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@@H](Nc3nccc(C(N)=O)c3[N+](=O)[O-])[C@H]2C1 ZINC001651524640 1173750530 /nfs/dbraw/zinc/75/05/30/1173750530.db2.gz BWDZCIATFOZLIU-INTQDDNPSA-N 1 1 305.338 0.841 20 5 DCBDMO CNC(=O)N[C@@H]1CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC001654781471 1173811477 /nfs/dbraw/zinc/81/14/77/1173811477.db2.gz MIIRMNGTEJBKJL-LLVKDONJSA-N 1 1 310.358 0.493 20 5 DCBDMO O=C(NCC1([NH2+]Cc2cncs2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001673164335 1175176706 /nfs/dbraw/zinc/17/67/06/1175176706.db2.gz PUATUSGOJNVULE-GHMZBOCLSA-N 1 1 310.379 0.937 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C/C=C\CNC(=O)C(F)F ZINC001699225716 1177956314 /nfs/dbraw/zinc/95/63/14/1177956314.db2.gz ITACXUMFMRNDKU-IHWYPQMZSA-N 1 1 303.269 0.355 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C/C=C\CNC(=O)C(C)(C)F ZINC001716259578 1182282897 /nfs/dbraw/zinc/28/28/97/1182282897.db2.gz AGGIAXDDUIARRH-PLNGDYQASA-N 1 1 313.333 0.838 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C/C=C\CNC(=O)c1ccco1 ZINC001732817856 1185982864 /nfs/dbraw/zinc/98/28/64/1185982864.db2.gz PZFNVYQHMQSRBV-IHWYPQMZSA-N 1 1 319.321 0.997 20 5 DCBDMO Cc1ccncc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001732850565 1186012342 /nfs/dbraw/zinc/01/23/42/1186012342.db2.gz XAMGMHSTGQXWRY-DTSKHDKYSA-N 1 1 304.350 0.817 20 5 DCBDMO Cc1noc(CCC[NH2+]C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001733243468 1186198904 /nfs/dbraw/zinc/19/89/04/1186198904.db2.gz SLKPSGQVSJCCOT-GHMZBOCLSA-N 1 1 323.353 0.214 20 5 DCBDMO C[N@H+]1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H]21 ZINC001164669329 719382510 /nfs/dbraw/zinc/38/25/10/719382510.db2.gz UTVULMKKVPUGNZ-GHMZBOCLSA-N 1 1 309.282 0.417 20 5 DCBDMO Cc1nc(N2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)ncc1[N+](=O)[O-] ZINC001164932866 721886750 /nfs/dbraw/zinc/88/67/50/721886750.db2.gz KDAPWALXYCRSHY-QWHCGFSZSA-N 1 1 320.397 0.908 20 5 DCBDMO Cc1nc(N2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)ncc1[N+](=O)[O-] ZINC001164932866 721886752 /nfs/dbraw/zinc/88/67/52/721886752.db2.gz KDAPWALXYCRSHY-QWHCGFSZSA-N 1 1 320.397 0.908 20 5 DCBDMO Cc1nc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)co1 ZINC001126161127 748259980 /nfs/dbraw/zinc/25/99/80/748259980.db2.gz FWPGKNWAFRPWEC-UHFFFAOYSA-N 1 1 308.298 0.144 20 5 DCBDMO COc1ccc(OCC[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001126943719 750157188 /nfs/dbraw/zinc/15/71/88/750157188.db2.gz VMLQFOURTKFBFY-ZIAGYGMSSA-N 1 1 323.349 0.445 20 5 DCBDMO O=[N+]([O-])c1cc(NCC2([NH+]3CCCC3)COC2)cn2cnnc12 ZINC001168448463 750978799 /nfs/dbraw/zinc/97/87/99/750978799.db2.gz WYCHZZDAELIRBI-UHFFFAOYSA-N 1 1 318.337 0.914 20 5 DCBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1C[N@@H+](C)CCN1C ZINC000823784651 758273305 /nfs/dbraw/zinc/27/33/05/758273305.db2.gz OFMGAWUKSYROII-GXFFZTMASA-N 1 1 307.354 0.354 20 5 DCBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@H+](C)[C@H](CO)C1 ZINC000828724349 759084037 /nfs/dbraw/zinc/08/40/37/759084037.db2.gz GXWUHXWVESTSHG-NEPJUHHUSA-N 1 1 322.365 0.530 20 5 DCBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+](C)[C@H](CO)C1 ZINC000828724349 759084045 /nfs/dbraw/zinc/08/40/45/759084045.db2.gz GXWUHXWVESTSHG-NEPJUHHUSA-N 1 1 322.365 0.530 20 5 DCBDMO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cncs2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086084307 759694194 /nfs/dbraw/zinc/69/41/94/759694194.db2.gz LROCBIIPOMOAQG-RBLKWDMZSA-N 1 1 310.379 0.793 20 5 DCBDMO COC(=O)c1n[nH]cc1Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001169573472 760736587 /nfs/dbraw/zinc/73/65/87/760736587.db2.gz MMZORUSZRUCZHA-UHFFFAOYSA-N 1 1 319.281 0.325 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CC(C)(F)F ZINC001133446348 764965299 /nfs/dbraw/zinc/96/52/99/764965299.db2.gz BSDKWFDKPWKAFX-UHFFFAOYSA-N 1 1 305.285 0.579 20 5 DCBDMO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC001134085741 765334982 /nfs/dbraw/zinc/33/49/82/765334982.db2.gz VLFJGEAOVNSZTH-GFCCVEGCSA-N 1 1 323.353 0.161 20 5 DCBDMO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001116633891 765890807 /nfs/dbraw/zinc/89/08/07/765890807.db2.gz LSCQRYKTBZWYER-LLVKDONJSA-N 1 1 324.385 0.084 20 5 DCBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCN(C)CC2)n1 ZINC001135877409 766150010 /nfs/dbraw/zinc/15/00/10/766150010.db2.gz JONSUQRPHRJXDL-UHFFFAOYSA-N 1 1 324.385 0.179 20 5 DCBDMO Nc1ncc(C(=O)N2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC001136323058 766274545 /nfs/dbraw/zinc/27/45/45/766274545.db2.gz OPBKKJLUSCVVFK-UHFFFAOYSA-N 1 1 305.338 0.740 20 5 DCBDMO O=C1OC[C@@H]2C[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC001175113061 769859762 /nfs/dbraw/zinc/85/97/62/769859762.db2.gz XJCXBTDAHHNFIK-TUAOUCFPSA-N 1 1 322.317 0.439 20 5 DCBDMO CCc1[nH+]ccn1CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001177515046 770481032 /nfs/dbraw/zinc/48/10/32/770481032.db2.gz YIYMXTGDTLVPQU-UHFFFAOYSA-N 1 1 319.321 0.332 20 5 DCBDMO Cc1nc(Cl)nc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)c1[N+](=O)[O-] ZINC001155568608 770545307 /nfs/dbraw/zinc/54/53/07/770545307.db2.gz ATTFAIXUQCHNGW-KBUNVGBDSA-N 1 1 312.717 0.337 20 5 DCBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3cnc(N)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC001162567707 772392678 /nfs/dbraw/zinc/39/26/78/772392678.db2.gz CYCKFSRUBDXXMX-JOYOIKCWSA-N 1 1 305.338 0.738 20 5 DCBDMO CC(C)(C)N1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1 ZINC001165093450 772694209 /nfs/dbraw/zinc/69/42/09/772694209.db2.gz ICCJPPKEUYCWLX-UHFFFAOYSA-N 1 1 320.397 0.992 20 5 DCBDMO C[C@@H]1C(=O)NCCN1c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001166559249 772823453 /nfs/dbraw/zinc/82/34/53/772823453.db2.gz DMBNGWSKWUXNFW-DFVUYQKZSA-N 1 1 305.338 0.847 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H]3C(=O)OC[C@@H]3C2)c1 ZINC001196674847 773631306 /nfs/dbraw/zinc/63/13/06/773631306.db2.gz JPCTVANGEKWJNZ-RYUDHWBXSA-N 1 1 320.301 0.986 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H]3C(=O)OC[C@@H]3C2)c1 ZINC001196674847 773631308 /nfs/dbraw/zinc/63/13/08/773631308.db2.gz JPCTVANGEKWJNZ-RYUDHWBXSA-N 1 1 320.301 0.986 20 5 DCBDMO Cn1nnnc1C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC001197513957 773757488 /nfs/dbraw/zinc/75/74/88/773757488.db2.gz HBXRTLXHLGJDAM-UHFFFAOYSA-N 1 1 303.326 0.893 20 5 DCBDMO N[C@@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[C@H]1O ZINC001246566652 945432329 /nfs/dbraw/zinc/43/23/29/945432329.db2.gz IPPCGCFSDFLJQS-HZPDHXFCSA-N 1 1 320.393 0.958 20 5 DCBDMO N[C@@H]1C[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[C@H]1O ZINC001246566652 945432333 /nfs/dbraw/zinc/43/23/33/945432333.db2.gz IPPCGCFSDFLJQS-HZPDHXFCSA-N 1 1 320.393 0.958 20 5 DCBDMO O=c1c([N+](=O)[O-])cn(CCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC001319328881 945564096 /nfs/dbraw/zinc/56/40/96/945564096.db2.gz SOKLUTQEPXRIKQ-UHFFFAOYSA-N 1 1 312.282 0.387 20 5 DCBDMO COc1cc(N2CCC([NH2+]C[C@H](O)CN)CC2)ccc1[N+](=O)[O-] ZINC001256084320 946583214 /nfs/dbraw/zinc/58/32/14/946583214.db2.gz ZITNHAQRACTQEY-CYBMUJFWSA-N 1 1 324.381 0.481 20 5 DCBDMO C[NH+]1CCN(c2ccccc2CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001261364807 947262272 /nfs/dbraw/zinc/26/22/72/947262272.db2.gz WMTQDTYCAGIGQO-UKRRQHHQSA-N 1 1 318.377 0.720 20 5 DCBDMO O=[N+]([O-])c1ccc([C@H](O)CN2CC([N@H+]3CC[C@@H](O)C3)C2)cc1 ZINC001261503748 947321868 /nfs/dbraw/zinc/32/18/68/947321868.db2.gz KHKUJPNNXOVJKD-HUUCEWRRSA-N 1 1 307.350 0.379 20 5 DCBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001336198152 952658950 /nfs/dbraw/zinc/65/89/50/952658950.db2.gz CAPFGGVBETXEHG-LLVKDONJSA-N 1 1 308.338 0.357 20 5 DCBDMO C[C@@H]1CN(c2nnc(C[N+](=O)[O-])n2C)CC[N@H+](C2CCC2)C1 ZINC001338061380 952956843 /nfs/dbraw/zinc/95/68/43/952956843.db2.gz ZVPSMIBNMOEOOD-NSHDSACASA-N 1 1 308.386 0.902 20 5 DCBDMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001350863264 955207194 /nfs/dbraw/zinc/20/71/94/955207194.db2.gz ZJLBUZRBONTTMV-NHYWBVRUSA-N 1 1 316.361 0.872 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC001351259374 955274294 /nfs/dbraw/zinc/27/42/94/955274294.db2.gz DTDKWJSUOWJOKY-LLVKDONJSA-N 1 1 309.370 0.948 20 5 DCBDMO CCc1n[nH]c(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC001305874079 960115840 /nfs/dbraw/zinc/11/58/40/960115840.db2.gz MPNMVGPPQKZSRN-ATZCPNFKSA-N 1 1 307.354 0.950 20 5 DCBDMO O=C1NC(=O)[C@@H]2C[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@H]12 ZINC001307785002 960160875 /nfs/dbraw/zinc/16/08/75/960160875.db2.gz GBSSZKMEVCQSHW-DTORHVGOSA-N 1 1 315.289 0.176 20 5 DCBDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@H]12 ZINC001307785002 960160879 /nfs/dbraw/zinc/16/08/79/960160879.db2.gz GBSSZKMEVCQSHW-DTORHVGOSA-N 1 1 315.289 0.176 20 5 DCBDMO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC([NH2+]C2COC2)C1 ZINC001472157488 1016751423 /nfs/dbraw/zinc/75/14/23/1016751423.db2.gz SSENNCMBQHUVHZ-UHFFFAOYSA-N 1 1 321.289 0.136 20 5 DCBDMO Cc1cc(NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)ncc1[N+](=O)[O-] ZINC001472904594 1016871866 /nfs/dbraw/zinc/87/18/66/1016871866.db2.gz TUFBZCCZEICYLR-SWLSCSKDSA-N 1 1 322.365 0.936 20 5 DCBDMO C[C@@H]1C[C@@H](NC(=O)c2cnc(N)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC001545709850 1005557948 /nfs/dbraw/zinc/55/79/48/1005557948.db2.gz MNKCMHGGRSJIEQ-PSASIEDQSA-N 1 1 305.338 0.927 20 5 DCBDMO CN(C)CC[N@@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001556897014 1012238864 /nfs/dbraw/zinc/23/88/64/1012238864.db2.gz BMGQAZPZVZCTPK-UHFFFAOYSA-N 1 1 323.397 0.790 20 5 DCBDMO CN(CCCNC(=O)c1ccc([N+](=O)[O-])cc1N)CC[NH+](C)C ZINC001556897014 1012238877 /nfs/dbraw/zinc/23/88/77/1012238877.db2.gz BMGQAZPZVZCTPK-UHFFFAOYSA-N 1 1 323.397 0.790 20 5 DCBDMO C[C@H]1[C@H](NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC[N@H+]1C ZINC001558424809 1012357000 /nfs/dbraw/zinc/35/70/00/1012357000.db2.gz BKZBFOLSGYKCGX-CMPLNLGQSA-N 1 1 321.333 0.995 20 5 DCBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)n1 ZINC001538320444 1012415222 /nfs/dbraw/zinc/41/52/22/1012415222.db2.gz FLQHYHJRDQOCQN-LLVKDONJSA-N 1 1 323.353 0.311 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC[C@@]23CCOC3)c1 ZINC001560232851 1012446774 /nfs/dbraw/zinc/44/67/74/1012446774.db2.gz JTPHQIMQPOSTMP-KGLIPLIRSA-N 1 1 310.354 0.797 20 5 DCBDMO NC(=O)c1ccc(C[N@@H+]2CC[C@](O)(C(F)F)C2)c([N+](=O)[O-])c1 ZINC001460126678 1012863457 /nfs/dbraw/zinc/86/34/57/1012863457.db2.gz FEJYGLFNAGLNFQ-CYBMUJFWSA-N 1 1 315.276 0.896 20 5 DCBDMO NC(=O)c1ccc(C[N@H+]2CC[C@](O)(C(F)F)C2)c([N+](=O)[O-])c1 ZINC001460126678 1012863477 /nfs/dbraw/zinc/86/34/77/1012863477.db2.gz FEJYGLFNAGLNFQ-CYBMUJFWSA-N 1 1 315.276 0.896 20 5 DCBDMO Cn1nccc1[C@@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001460848219 1012977597 /nfs/dbraw/zinc/97/75/97/1012977597.db2.gz WVYQCYBMTGUZJQ-JSGCOSHPSA-N 1 1 320.353 0.723 20 5 DCBDMO Cc1cc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])sn1 ZINC001497585852 1018252867 /nfs/dbraw/zinc/25/28/67/1018252867.db2.gz ZRUPBCCVAQRSKW-JDEDCZITSA-N 1 1 310.379 0.879 20 5 DCBDMO CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ncccn1 ZINC001502193032 1019802404 /nfs/dbraw/zinc/80/24/04/1019802404.db2.gz NYWAFBPMPGFPRF-VXGBXAGGSA-N 1 1 307.354 0.422 20 5 DCBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000157352980 529808712 /nfs/dbraw/zinc/80/87/12/529808712.db2.gz ZKAZSZPBPVWQPI-MNOVXSKESA-N 1 1 308.342 0.129 20 5 DCBDMO Cc1nn(C)c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000174675643 198368865 /nfs/dbraw/zinc/36/88/65/198368865.db2.gz LCHDZWNTHDWVQJ-MNOVXSKESA-N 1 1 307.354 0.945 20 5 DCBDMO CC1CC[NH+](C[C@@H](O)CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000154510388 291214027 /nfs/dbraw/zinc/21/40/27/291214027.db2.gz UPKXMRFBGCJXBV-JTQLQIEISA-N 1 1 311.342 0.141 20 5 DCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000264816844 204178405 /nfs/dbraw/zinc/17/84/05/204178405.db2.gz ZCPAIEASYIGYHW-GFCCVEGCSA-N 1 1 321.381 0.369 20 5 DCBDMO O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)N1 ZINC000282477005 217023261 /nfs/dbraw/zinc/02/32/61/217023261.db2.gz LFHQUHBRSNDPSN-AWEZNQCLSA-N 1 1 322.296 0.908 20 5 DCBDMO O=C1NC(=O)[C@@]2(CCC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)N1 ZINC000282477005 217023264 /nfs/dbraw/zinc/02/32/64/217023264.db2.gz LFHQUHBRSNDPSN-AWEZNQCLSA-N 1 1 322.296 0.908 20 5 DCBDMO CC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000282482090 217027905 /nfs/dbraw/zinc/02/79/05/217027905.db2.gz VLGPPHXJFCBPJY-JSGCOSHPSA-N 1 1 323.349 0.545 20 5 DCBDMO CC[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000288472011 220164289 /nfs/dbraw/zinc/16/42/89/220164289.db2.gz OSVSUYPVQCCYSN-LLVKDONJSA-N 1 1 308.338 0.309 20 5 DCBDMO Cn1cc([C@@H](CO)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000273967081 211223970 /nfs/dbraw/zinc/22/39/70/211223970.db2.gz GJOZKMYCRLOCNR-GFCCVEGCSA-N 1 1 319.321 0.590 20 5 DCBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)n1 ZINC000339414447 253081230 /nfs/dbraw/zinc/08/12/30/253081230.db2.gz YNXRZGCPAIPOEU-LBPRGKRZSA-N 1 1 321.341 0.212 20 5 DCBDMO Cn1cc[nH+]c1N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000013693583 395688853 /nfs/dbraw/zinc/68/88/53/395688853.db2.gz UCGCOCVLPWUBLY-UHFFFAOYSA-N 1 1 305.294 0.884 20 5 DCBDMO CC[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000015173943 395689714 /nfs/dbraw/zinc/68/97/14/395689714.db2.gz NLNCXHDPUORETP-UHFFFAOYSA-N 1 1 314.367 0.384 20 5 DCBDMO CC[NH+]1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC000107380225 395785535 /nfs/dbraw/zinc/78/55/35/395785535.db2.gz OWFFYJAGMMSPFG-UHFFFAOYSA-N 1 1 322.369 0.363 20 5 DCBDMO COC(=O)C[C@H]1CSCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000123524942 395895225 /nfs/dbraw/zinc/89/52/25/395895225.db2.gz AECCQLNCNFQKNX-JTQLQIEISA-N 1 1 314.367 0.772 20 5 DCBDMO COC(=O)C[C@H]1CSCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000123524942 395895228 /nfs/dbraw/zinc/89/52/28/395895228.db2.gz AECCQLNCNFQKNX-JTQLQIEISA-N 1 1 314.367 0.772 20 5 DCBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000247273262 395970877 /nfs/dbraw/zinc/97/08/77/395970877.db2.gz FPJBDNORXHCRKP-WCQYABFASA-N 1 1 309.370 0.980 20 5 DCBDMO C[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000154817091 396042775 /nfs/dbraw/zinc/04/27/75/396042775.db2.gz IMVVRKQBJREDTC-ZANVPECISA-N 1 1 308.338 0.825 20 5 DCBDMO C[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000154817091 396042778 /nfs/dbraw/zinc/04/27/78/396042778.db2.gz IMVVRKQBJREDTC-ZANVPECISA-N 1 1 308.338 0.825 20 5 DCBDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000261715169 396059105 /nfs/dbraw/zinc/05/91/05/396059105.db2.gz KYKJGJXNWUYWGR-NSHDSACASA-N 1 1 318.337 0.454 20 5 DCBDMO CN(C)C(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000068773017 396062916 /nfs/dbraw/zinc/06/29/16/396062916.db2.gz LFWTZQLTFHXMGC-UHFFFAOYSA-N 1 1 307.354 0.954 20 5 DCBDMO CCOCC[NH+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000159405010 396067920 /nfs/dbraw/zinc/06/79/20/396067920.db2.gz OGKXPSGXKKRJHA-UHFFFAOYSA-N 1 1 320.353 0.796 20 5 DCBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H]1C ZINC000176909348 396162599 /nfs/dbraw/zinc/16/25/99/396162599.db2.gz DGDCAFYZQQDYLZ-GHMZBOCLSA-N 1 1 322.365 0.704 20 5 DCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H]1C ZINC000176909348 396162601 /nfs/dbraw/zinc/16/26/01/396162601.db2.gz DGDCAFYZQQDYLZ-GHMZBOCLSA-N 1 1 322.365 0.704 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000177046374 396165261 /nfs/dbraw/zinc/16/52/61/396165261.db2.gz BWKQGEHPHRUHEB-GXSJLCMTSA-N 1 1 307.354 0.841 20 5 DCBDMO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)CN1CCOCC1 ZINC000078542339 396247398 /nfs/dbraw/zinc/24/73/98/396247398.db2.gz VCCRAXISMOSONI-HNNXBMFYSA-N 1 1 309.366 0.720 20 5 DCBDMO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)CN1CCOCC1 ZINC000078542340 396247559 /nfs/dbraw/zinc/24/75/59/396247559.db2.gz VCCRAXISMOSONI-OAHLLOKOSA-N 1 1 309.366 0.720 20 5 DCBDMO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000077817094 396233687 /nfs/dbraw/zinc/23/36/87/396233687.db2.gz AVJAAEAUANFKPB-NSHDSACASA-N 1 1 320.349 0.910 20 5 DCBDMO CC1(C)C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000083418718 396314418 /nfs/dbraw/zinc/31/44/18/396314418.db2.gz OGBJYJMZIXXPIS-LLVKDONJSA-N 1 1 300.384 0.980 20 5 DCBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)CN1CCOCC1 ZINC000083245407 396314534 /nfs/dbraw/zinc/31/45/34/396314534.db2.gz OQYSPRRDKRMNIM-HNNXBMFYSA-N 1 1 309.366 0.720 20 5 DCBDMO C[N@@H+]1CCO[C@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000081371058 396299657 /nfs/dbraw/zinc/29/96/57/396299657.db2.gz UUFYPACXBQGBLV-ZDUSSCGKSA-N 1 1 309.322 0.420 20 5 DCBDMO C[N@H+]1CCO[C@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000081371058 396299661 /nfs/dbraw/zinc/29/96/61/396299661.db2.gz UUFYPACXBQGBLV-ZDUSSCGKSA-N 1 1 309.322 0.420 20 5 DCBDMO C[C@@H](O)C[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000186785784 396357843 /nfs/dbraw/zinc/35/78/43/396357843.db2.gz NCQVTKGIUOKYEA-GFCCVEGCSA-N 1 1 323.349 0.499 20 5 DCBDMO Cc1cc(S(=O)(=O)NCC(F)(F)C[NH3+])ccc1[N+](=O)[O-] ZINC000186992012 396361898 /nfs/dbraw/zinc/36/18/98/396361898.db2.gz XZCVMASWKPMFDW-UHFFFAOYSA-N 1 1 309.294 0.776 20 5 DCBDMO CNC(=O)C[NH+]1CCC(Nc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000286141025 396376681 /nfs/dbraw/zinc/37/66/81/396376681.db2.gz NNJAXFNZOAZYLF-UHFFFAOYSA-N 1 1 307.354 0.799 20 5 DCBDMO O=[N+]([O-])c1cc(O)ccc1-n1cc(C[N@H+]2CCC[C@@H]2CO)nn1 ZINC000594652395 396494239 /nfs/dbraw/zinc/49/42/39/396494239.db2.gz LSNNMPQNIGPKHF-LLVKDONJSA-N 1 1 319.321 0.838 20 5 DCBDMO O=[N+]([O-])c1cc(O)ccc1-n1cc(C[N@@H+]2CCC[C@@H]2CO)nn1 ZINC000594652395 396494240 /nfs/dbraw/zinc/49/42/40/396494240.db2.gz LSNNMPQNIGPKHF-LLVKDONJSA-N 1 1 319.321 0.838 20 5 DCBDMO C[NH+](C)CCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000292965609 396579568 /nfs/dbraw/zinc/57/95/68/396579568.db2.gz KTTTUKZHSDYBKC-UHFFFAOYSA-N 1 1 305.331 0.964 20 5 DCBDMO C[C@H](CO)[C@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595680376 396648458 /nfs/dbraw/zinc/64/84/58/396648458.db2.gz ZYZSQCBDQZEWIU-KWCYVHTRSA-N 1 1 312.370 0.635 20 5 DCBDMO Nc1c(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000588862459 396696012 /nfs/dbraw/zinc/69/60/12/396696012.db2.gz BRFBKASRIDNOAI-MNOVXSKESA-N 1 1 320.349 0.458 20 5 DCBDMO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000295567843 396701628 /nfs/dbraw/zinc/70/16/28/396701628.db2.gz UWKVAHUPUHFKSQ-GFCCVEGCSA-N 1 1 323.349 0.877 20 5 DCBDMO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000295567843 396701630 /nfs/dbraw/zinc/70/16/30/396701630.db2.gz UWKVAHUPUHFKSQ-GFCCVEGCSA-N 1 1 323.349 0.877 20 5 DCBDMO C[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000596168787 396727335 /nfs/dbraw/zinc/72/73/35/396727335.db2.gz XJDDEEDJQWXQTP-RNCFNFMXSA-N 1 1 308.338 0.825 20 5 DCBDMO C[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000596168787 396727338 /nfs/dbraw/zinc/72/73/38/396727338.db2.gz XJDDEEDJQWXQTP-RNCFNFMXSA-N 1 1 308.338 0.825 20 5 DCBDMO C[C@H](CC[NH+]1CCN(C)CC1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000302239263 396718710 /nfs/dbraw/zinc/71/87/10/396718710.db2.gz HIMITVUJGJHOOH-SNVBAGLBSA-N 1 1 309.374 0.405 20 5 DCBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H](O)C(F)(F)F ZINC000305780685 396752453 /nfs/dbraw/zinc/75/24/53/396752453.db2.gz TUNMGOXWWPZBAB-BDAKNGLRSA-N 1 1 312.248 0.007 20 5 DCBDMO Cc1cc(OCC(=O)NCC[N@H+]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000600536052 396885469 /nfs/dbraw/zinc/88/54/69/396885469.db2.gz WEYWUMNLXRXYKZ-GFCCVEGCSA-N 1 1 323.349 0.465 20 5 DCBDMO CN(CC(=O)NCC[N@H+]1CC[C@H](O)C1)c1ccccc1[N+](=O)[O-] ZINC000600807484 396945808 /nfs/dbraw/zinc/94/58/08/396945808.db2.gz FIMXOEKNARUCCH-LBPRGKRZSA-N 1 1 322.365 0.214 20 5 DCBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1ccc([N+](=O)[O-])n1)C2 ZINC000597714127 397072682 /nfs/dbraw/zinc/07/26/82/397072682.db2.gz GRHZALNVNHAHAI-AWEZNQCLSA-N 1 1 307.354 0.736 20 5 DCBDMO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000619786066 397191981 /nfs/dbraw/zinc/19/19/81/397191981.db2.gz NUEPGYYHVYWJCY-NSHDSACASA-N 1 1 323.353 0.645 20 5 DCBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000599531225 397465467 /nfs/dbraw/zinc/46/54/67/397465467.db2.gz NOJGLSXWVBZFKN-SRVKXCTJSA-N 1 1 323.349 0.454 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000602782886 397483225 /nfs/dbraw/zinc/48/32/25/397483225.db2.gz BKKABEKCNYBBDM-GFCCVEGCSA-N 1 1 322.369 0.589 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@@H+](CCO)C(C)(C)C1 ZINC000602815679 397493110 /nfs/dbraw/zinc/49/31/10/397493110.db2.gz QDXAFDPFGLRNNZ-UHFFFAOYSA-N 1 1 311.386 0.488 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000602819913 397495307 /nfs/dbraw/zinc/49/53/07/397495307.db2.gz FLVIKSIQSFHTTF-SMDDNHRTSA-N 1 1 310.354 0.980 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000602819913 397495309 /nfs/dbraw/zinc/49/53/09/397495309.db2.gz FLVIKSIQSFHTTF-SMDDNHRTSA-N 1 1 310.354 0.980 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000599694284 397507803 /nfs/dbraw/zinc/50/78/03/397507803.db2.gz PPHBFLCVDGHBBR-NSHDSACASA-N 1 1 324.337 0.792 20 5 DCBDMO CN(C(=O)CN1CC[N@H+](C)C[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000602903030 397518329 /nfs/dbraw/zinc/51/83/29/397518329.db2.gz AIPKRVKVWSCTCQ-AWEZNQCLSA-N 1 1 322.365 0.166 20 5 DCBDMO CN(C(=O)CN1CC[N@@H+](C)C[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000602903030 397518332 /nfs/dbraw/zinc/51/83/32/397518332.db2.gz AIPKRVKVWSCTCQ-AWEZNQCLSA-N 1 1 322.365 0.166 20 5 DCBDMO C[N@@H+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H](CO)C1 ZINC000602904667 397519230 /nfs/dbraw/zinc/51/92/30/397519230.db2.gz JJEZMSWWHQYBAZ-JTQLQIEISA-N 1 1 301.293 0.981 20 5 DCBDMO C[N@H+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H](CO)C1 ZINC000602904667 397519231 /nfs/dbraw/zinc/51/92/31/397519231.db2.gz JJEZMSWWHQYBAZ-JTQLQIEISA-N 1 1 301.293 0.981 20 5 DCBDMO CN1C[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1=O ZINC000608861127 397758846 /nfs/dbraw/zinc/75/88/46/397758846.db2.gz VCYHTGXDVQFSRB-JTQLQIEISA-N 1 1 307.306 0.686 20 5 DCBDMO COCC[N@H+]1CCC[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000609269890 397768059 /nfs/dbraw/zinc/76/80/59/397768059.db2.gz YYZOUZBEIZGOHJ-NSHDSACASA-N 1 1 311.342 0.018 20 5 DCBDMO CC[NH+]1CCN(C(=O)CNc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000114709417 158156463 /nfs/dbraw/zinc/15/64/63/158156463.db2.gz GWNOBBOTKBXAHT-UHFFFAOYSA-N 1 1 310.358 0.213 20 5 DCBDMO C[N@@H+](CCC1CCOCC1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000120649850 158202090 /nfs/dbraw/zinc/20/20/90/158202090.db2.gz YVKABHJIZLHWAT-CQSZACIVSA-N 1 1 312.370 0.901 20 5 DCBDMO CNS(=O)(=O)CCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131272918 158301505 /nfs/dbraw/zinc/30/15/05/158301505.db2.gz AMLRTGMKEGMJKM-UHFFFAOYSA-N 1 1 313.379 0.892 20 5 DCBDMO CNS(=O)(=O)CCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131272918 158301509 /nfs/dbraw/zinc/30/15/09/158301509.db2.gz AMLRTGMKEGMJKM-UHFFFAOYSA-N 1 1 313.379 0.892 20 5 DCBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000318793687 159007242 /nfs/dbraw/zinc/00/72/42/159007242.db2.gz ZQTRCWHHAFDUPE-UWVGGRQHSA-N 1 1 305.338 0.929 20 5 DCBDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000330603037 159200575 /nfs/dbraw/zinc/20/05/75/159200575.db2.gz XAKUMVUEOTVAHW-QWRGUYRKSA-N 1 1 308.338 0.308 20 5 DCBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000330603037 159200577 /nfs/dbraw/zinc/20/05/77/159200577.db2.gz XAKUMVUEOTVAHW-QWRGUYRKSA-N 1 1 308.338 0.308 20 5 DCBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](CO)C(C)(C)C ZINC000134442294 287016487 /nfs/dbraw/zinc/01/64/87/287016487.db2.gz FOCMEZMVVJGRMO-NWDGAFQWSA-N 1 1 300.359 0.491 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000247223839 287092074 /nfs/dbraw/zinc/09/20/74/287092074.db2.gz CXUSNFZFFMWROX-BXUZGUMPSA-N 1 1 310.354 0.653 20 5 DCBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000359743312 287214402 /nfs/dbraw/zinc/21/44/02/287214402.db2.gz MWMXKBKQGFDUOI-LBPRGKRZSA-N 1 1 324.381 0.993 20 5 DCBDMO CNC(=O)N[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000342364337 415154944 /nfs/dbraw/zinc/15/49/44/415154944.db2.gz DLYYBQYXHFTGLR-LLVKDONJSA-N 1 1 308.338 0.977 20 5 DCBDMO CN(C(=O)Cn1cnc([N+](=O)[O-])n1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000342488111 415192495 /nfs/dbraw/zinc/19/24/95/415192495.db2.gz MCPCWNXYAHOXNC-ZACCUICWSA-N 1 1 308.342 0.270 20 5 DCBDMO NC(=O)N[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000342875687 415328058 /nfs/dbraw/zinc/32/80/58/415328058.db2.gz XJFYLAPJPQUHOS-LLVKDONJSA-N 1 1 321.337 0.666 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1COC[C@@H]1O ZINC000352807648 415329125 /nfs/dbraw/zinc/32/91/25/415329125.db2.gz WYIHYCJQYFLWPO-KGLIPLIRSA-N 1 1 323.349 0.923 20 5 DCBDMO C[C@H](O)C[NH+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000343002642 415402859 /nfs/dbraw/zinc/40/28/59/415402859.db2.gz UYAOOFOGEIWYTA-JTQLQIEISA-N 1 1 308.338 0.197 20 5 DCBDMO C[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)[N@H+]1CCCC[C@@H]1C ZINC000343066958 415430123 /nfs/dbraw/zinc/43/01/23/415430123.db2.gz JJQMFCIGMRRLEM-QWRGUYRKSA-N 1 1 310.358 0.565 20 5 DCBDMO CC[N@H+]1CCC[C@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000343178129 415488032 /nfs/dbraw/zinc/48/80/32/415488032.db2.gz AFUISYXUQVGYLU-NSHDSACASA-N 1 1 308.338 0.357 20 5 DCBDMO COC(=O)CNC(=O)CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607608 415519523 /nfs/dbraw/zinc/51/95/23/415519523.db2.gz KBWUBOBUSBAIAX-UHFFFAOYSA-N 1 1 321.333 0.632 20 5 DCBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000281585991 415554713 /nfs/dbraw/zinc/55/47/13/415554713.db2.gz MVZCNAGGVIAACF-ZJUUUORDSA-N 1 1 324.337 0.223 20 5 DCBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000343637536 415665817 /nfs/dbraw/zinc/66/58/17/415665817.db2.gz BUJWBKROQZVVCQ-LBPRGKRZSA-N 1 1 322.365 0.747 20 5 DCBDMO C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@H+](C2CCC2)C1 ZINC000344693345 415971616 /nfs/dbraw/zinc/97/16/16/415971616.db2.gz JDOAECYZOFEQBC-NSHDSACASA-N 1 1 322.369 0.519 20 5 DCBDMO C[NH+](C)CCn1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000356510936 415935910 /nfs/dbraw/zinc/93/59/10/415935910.db2.gz KEWBEOYQVXOQMA-UHFFFAOYSA-N 1 1 319.321 1.311 20 5 DCBDMO Cc1nn(C)c(N2CC[C@@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000301451057 416083444 /nfs/dbraw/zinc/08/34/44/416083444.db2.gz LMJIEIDTOPACIF-LBPRGKRZSA-N 1 1 309.370 0.795 20 5 DCBDMO C[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)[N@H+]1CCC[C@H](C)C1 ZINC000357892259 416149127 /nfs/dbraw/zinc/14/91/27/416149127.db2.gz RPTZRABQFMJWRA-QWRGUYRKSA-N 1 1 310.358 0.423 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000358058244 416181301 /nfs/dbraw/zinc/18/13/01/416181301.db2.gz CIBJPNCYHREBPX-AWEZNQCLSA-N 1 1 309.322 0.156 20 5 DCBDMO CC[N@@H+](CCO)CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000183960539 416250026 /nfs/dbraw/zinc/25/00/26/416250026.db2.gz AVDGVOQFWGYLJS-UHFFFAOYSA-N 1 1 324.381 0.827 20 5 DCBDMO CN1CC[N@@H+](C)C[C@H]1CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342227596 416297183 /nfs/dbraw/zinc/29/71/83/416297183.db2.gz SGTGLZJFYLAEKI-SNVBAGLBSA-N 1 1 307.354 0.351 20 5 DCBDMO C[C@H]1NC(=O)N(CC[N@H+](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000459283391 416531143 /nfs/dbraw/zinc/53/11/43/416531143.db2.gz FELGSUXMIQKDQZ-SNVBAGLBSA-N 1 1 306.322 0.967 20 5 DCBDMO C[C@H]1NC(=O)N(CC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000459283391 416531151 /nfs/dbraw/zinc/53/11/51/416531151.db2.gz FELGSUXMIQKDQZ-SNVBAGLBSA-N 1 1 306.322 0.967 20 5 DCBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000362073069 416556908 /nfs/dbraw/zinc/55/69/08/416556908.db2.gz TWYBHKCLTHIXSF-YRGRVCCFSA-N 1 1 310.350 0.895 20 5 DCBDMO O=C(NCCC[NH+]1CCOCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000361861737 416511802 /nfs/dbraw/zinc/51/18/02/416511802.db2.gz GNHGBDBDSUUXMD-UHFFFAOYSA-N 1 1 310.310 0.148 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000366998374 416638512 /nfs/dbraw/zinc/63/85/12/416638512.db2.gz WIURJIWARUFWDO-JTQLQIEISA-N 1 1 317.353 1.080 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000366998374 416638515 /nfs/dbraw/zinc/63/85/15/416638515.db2.gz WIURJIWARUFWDO-JTQLQIEISA-N 1 1 317.353 1.080 20 5 DCBDMO O=C(CC[N@@H+]1CC[C@@H](CO)[C@@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000559284124 416807005 /nfs/dbraw/zinc/80/70/05/416807005.db2.gz YJYDUCHAJXTFIQ-FZMZJTMJSA-N 1 1 323.349 0.599 20 5 DCBDMO COc1cccc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000444364065 416836192 /nfs/dbraw/zinc/83/61/92/416836192.db2.gz KRTLKJKZCFXABK-AWEZNQCLSA-N 1 1 309.322 0.400 20 5 DCBDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000447844152 417032253 /nfs/dbraw/zinc/03/22/53/417032253.db2.gz PEVQCRSMSNIYLY-OBJOEFQTSA-N 1 1 312.370 0.778 20 5 DCBDMO C[C@H](O)C[C@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000447844153 417033449 /nfs/dbraw/zinc/03/34/49/417033449.db2.gz PEVQCRSMSNIYLY-OUCADQQQSA-N 1 1 312.370 0.778 20 5 DCBDMO CCOC(=O)C[N@H+](CC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000525782514 417151730 /nfs/dbraw/zinc/15/17/30/417151730.db2.gz QSUSZWUSYZBKIO-NSHDSACASA-N 1 1 300.315 0.037 20 5 DCBDMO CCOC(=O)C[N@@H+](CC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000525782514 417151739 /nfs/dbraw/zinc/15/17/39/417151739.db2.gz QSUSZWUSYZBKIO-NSHDSACASA-N 1 1 300.315 0.037 20 5 DCBDMO CC(C)(C(=O)N1CC[NH2+]C[C@@](C)(F)C1)n1cc([N+](=O)[O-])cn1 ZINC000449572176 417152366 /nfs/dbraw/zinc/15/23/66/417152366.db2.gz ISBSGJHSDUQHAJ-CYBMUJFWSA-N 1 1 313.333 0.686 20 5 DCBDMO O=C(NC[C@@H]1C[NH2+]CCCO1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000449708142 417171013 /nfs/dbraw/zinc/17/10/13/417171013.db2.gz UDXZFLOLHDYSHX-JTQLQIEISA-N 1 1 319.321 0.579 20 5 DCBDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000572377528 417458466 /nfs/dbraw/zinc/45/84/66/417458466.db2.gz HLMILYKPURDCOG-JTQLQIEISA-N 1 1 307.354 1.034 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCOC[C@H]2C2CCC2)c1 ZINC000575800210 417549028 /nfs/dbraw/zinc/54/90/28/417549028.db2.gz HBOACBUOZRXJFH-KBPBESRZSA-N 1 1 310.354 0.653 20 5 DCBDMO COCCOCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000530947296 417599176 /nfs/dbraw/zinc/59/91/76/417599176.db2.gz HJDBDIRXPICSFQ-UHFFFAOYSA-N 1 1 310.354 0.775 20 5 DCBDMO COc1ccc(CC(=O)N2CC[NH+](CCO)CC2)cc1[N+](=O)[O-] ZINC000531026021 417602875 /nfs/dbraw/zinc/60/28/75/417602875.db2.gz CCBNCMDALBKZFZ-UHFFFAOYSA-N 1 1 323.349 0.282 20 5 DCBDMO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](CCO)CC1 ZINC000303977239 261173738 /nfs/dbraw/zinc/17/37/38/261173738.db2.gz CQWGALKQXOSYLC-DUXPYHPUSA-N 1 1 323.324 0.884 20 5 DCBDMO CCCN1CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000314843698 261174229 /nfs/dbraw/zinc/17/42/29/261174229.db2.gz VPZJKVAGAAXORK-AWEZNQCLSA-N 1 1 311.386 0.616 20 5 DCBDMO C[C@H](O)C[NH+]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420611303 262378618 /nfs/dbraw/zinc/37/86/18/262378618.db2.gz MJOLEKZAIYGRRI-JTQLQIEISA-N 1 1 308.338 0.197 20 5 DCBDMO CC(=O)N[C@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000420985380 262388835 /nfs/dbraw/zinc/38/88/35/262388835.db2.gz KXMIQKATRGUDBU-GXTWGEPZSA-N 1 1 323.349 0.545 20 5 DCBDMO CC[C@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1N1CCOCC1 ZINC000363447867 271189488 /nfs/dbraw/zinc/18/94/88/271189488.db2.gz CZLMZSJHGDMGRW-QWHCGFSZSA-N 1 1 323.397 0.871 20 5 DCBDMO CC[C@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1N1CCOCC1 ZINC000363447867 271189490 /nfs/dbraw/zinc/18/94/90/271189490.db2.gz CZLMZSJHGDMGRW-QWHCGFSZSA-N 1 1 323.397 0.871 20 5 DCBDMO CC[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)C[C@H]1[NH+]1CCOCC1 ZINC000363447867 271189493 /nfs/dbraw/zinc/18/94/93/271189493.db2.gz CZLMZSJHGDMGRW-QWHCGFSZSA-N 1 1 323.397 0.871 20 5 DCBDMO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000547763890 288076688 /nfs/dbraw/zinc/07/66/88/288076688.db2.gz ITAJTHWXNBCJRL-JTQLQIEISA-N 1 1 309.326 0.112 20 5 DCBDMO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ncnn1C ZINC000583317682 337314841 /nfs/dbraw/zinc/31/48/41/337314841.db2.gz TYUHQUUOVFOMRQ-GHMZBOCLSA-N 1 1 321.337 0.814 20 5 DCBDMO CCOC(=O)c1cc(N2CC[NH+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000267527087 521436915 /nfs/dbraw/zinc/43/69/15/521436915.db2.gz IRRRESXQBKVKHY-UHFFFAOYSA-N 1 1 323.349 0.886 20 5 DCBDMO CCc1[nH]nc(C(=O)N(CCOC)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000188422123 523667391 /nfs/dbraw/zinc/66/73/91/523667391.db2.gz IJVUHMDAKJPRIP-UHFFFAOYSA-N 1 1 313.358 0.531 20 5 DCBDMO O=C(CNc1ccccc1[N+](=O)[O-])NCC[N@H+]1CCCOCC1 ZINC000189390644 526902016 /nfs/dbraw/zinc/90/20/16/526902016.db2.gz MELAVZQAGCJHPN-UHFFFAOYSA-N 1 1 322.365 0.845 20 5 DCBDMO NC(=O)CC(=O)N1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000980872856 661032783 /nfs/dbraw/zinc/03/27/83/661032783.db2.gz ZBOUHZQSWCCKRC-UHFFFAOYSA-N 1 1 320.349 0.505 20 5 DCBDMO NC(=O)CC(=O)N1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000980872856 661032784 /nfs/dbraw/zinc/03/27/84/661032784.db2.gz ZBOUHZQSWCCKRC-UHFFFAOYSA-N 1 1 320.349 0.505 20 5 DCBDMO Cc1ncsc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775638 659557482 /nfs/dbraw/zinc/55/74/82/659557482.db2.gz LJIAQIRXKBUAIJ-HMUNZLOLSA-N 1 1 322.390 0.663 20 5 DCBDMO Cc1ncsc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001025775638 659557485 /nfs/dbraw/zinc/55/74/85/659557485.db2.gz LJIAQIRXKBUAIJ-HMUNZLOLSA-N 1 1 322.390 0.663 20 5 DCBDMO Cc1ncsc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001025775638 659557490 /nfs/dbraw/zinc/55/74/90/659557490.db2.gz LJIAQIRXKBUAIJ-HMUNZLOLSA-N 1 1 322.390 0.663 20 5 DCBDMO O=C(N[C@@H]1CCOC1)OC[C@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000930467618 659765280 /nfs/dbraw/zinc/76/52/80/659765280.db2.gz RRBKHRUNNRJEQJ-VXGBXAGGSA-N 1 1 301.343 0.633 20 5 DCBDMO O=C(N[C@@H]1CCOC1)OC[C@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000930467618 659765284 /nfs/dbraw/zinc/76/52/84/659765284.db2.gz RRBKHRUNNRJEQJ-VXGBXAGGSA-N 1 1 301.343 0.633 20 5 DCBDMO O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000930467615 659765568 /nfs/dbraw/zinc/76/55/68/659765568.db2.gz RRBKHRUNNRJEQJ-NEPJUHHUSA-N 1 1 301.343 0.633 20 5 DCBDMO O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000930467615 659765571 /nfs/dbraw/zinc/76/55/71/659765571.db2.gz RRBKHRUNNRJEQJ-NEPJUHHUSA-N 1 1 301.343 0.633 20 5 DCBDMO CC(C)Oc1nc(N2CC[N@H+](C)[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000894881871 662024352 /nfs/dbraw/zinc/02/43/52/662024352.db2.gz OWQOUSGNGQBQTG-LLVKDONJSA-N 1 1 310.354 0.890 20 5 DCBDMO CC(C)Oc1nc(N2CC[N@@H+](C)[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000894881871 662024354 /nfs/dbraw/zinc/02/43/54/662024354.db2.gz OWQOUSGNGQBQTG-LLVKDONJSA-N 1 1 310.354 0.890 20 5 DCBDMO C[N@@H+]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@@H]1CO ZINC000894886447 662027265 /nfs/dbraw/zinc/02/72/65/662027265.db2.gz DBZRRNGUDMDQHW-LLVKDONJSA-N 1 1 320.349 0.592 20 5 DCBDMO C[N@H+]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@@H]1CO ZINC000894886447 662027267 /nfs/dbraw/zinc/02/72/67/662027267.db2.gz DBZRRNGUDMDQHW-LLVKDONJSA-N 1 1 320.349 0.592 20 5 DCBDMO Cc1c(C(=O)NC2CC[NH+](CC(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000022226969 662490691 /nfs/dbraw/zinc/49/06/91/662490691.db2.gz UPQZDTVLTNVRCS-UHFFFAOYSA-N 1 1 320.349 0.583 20 5 DCBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCO[C@H]3CCOC3)CC2)cn1 ZINC000929170774 662972089 /nfs/dbraw/zinc/97/20/89/662972089.db2.gz CFSMWUJRKHVFAI-AWEZNQCLSA-N 1 1 322.365 0.917 20 5 DCBDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000901235228 663332179 /nfs/dbraw/zinc/33/21/79/663332179.db2.gz SZXSUTZRZIPATO-HIFRSBDPSA-N 1 1 307.350 0.709 20 5 DCBDMO O=C(NC[C@H]1CCCO1)c1cccc(C[NH2+]CC[N+](=O)[O-])c1 ZINC000905058465 663529591 /nfs/dbraw/zinc/52/95/91/663529591.db2.gz AEZCMCKXAJAFCL-CQSZACIVSA-N 1 1 307.350 0.962 20 5 DCBDMO CN1CC[N@@H+](C)CC(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000905850150 663586726 /nfs/dbraw/zinc/58/67/26/663586726.db2.gz PBWCWBBLERUFIA-UHFFFAOYSA-N 1 1 318.377 0.977 20 5 DCBDMO CN1CC[N@@H+](C)CC(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000907148937 663673601 /nfs/dbraw/zinc/67/36/01/663673601.db2.gz GHAWYLLAPPASGZ-UHFFFAOYSA-N 1 1 320.393 0.747 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(C2C[NH+](CCC3CC3)C2)CC1 ZINC000941407347 665991342 /nfs/dbraw/zinc/99/13/42/665991342.db2.gz PFZAZLLQKOYNHS-HUUCEWRRSA-N 1 1 322.409 0.280 20 5 DCBDMO Cc1c(CC(=O)N(C)CC[N@@H+](C)CCO)cccc1[N+](=O)[O-] ZINC000912606837 664192998 /nfs/dbraw/zinc/19/29/98/664192998.db2.gz GRKNRNOJUHKJHT-UHFFFAOYSA-N 1 1 309.366 0.828 20 5 DCBDMO C[N@H+]1C[C@@]2(C)CN(C(=O)Cn3ccc([N+](=O)[O-])n3)C[C@@]2(C)C1 ZINC000913289135 664298402 /nfs/dbraw/zinc/29/84/02/664298402.db2.gz JNNHTYBOSJPRNN-OKILXGFUSA-N 1 1 307.354 0.592 20 5 DCBDMO Cc1ccc(CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)cc1[N+](=O)[O-] ZINC000913754356 664719512 /nfs/dbraw/zinc/71/95/12/664719512.db2.gz MXHRRZDSXMHFKX-SWLSCSKDSA-N 1 1 307.350 0.975 20 5 DCBDMO O=C(NCC1C[NH+](CCc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031660772 665271180 /nfs/dbraw/zinc/27/11/80/665271180.db2.gz RMANBYFBOJZLRF-HUUCEWRRSA-N 1 1 303.362 0.942 20 5 DCBDMO Cn1ccnc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000997766742 665335815 /nfs/dbraw/zinc/33/58/15/665335815.db2.gz AOACBTPGUNGHBU-CHWSQXEVSA-N 1 1 321.381 0.414 20 5 DCBDMO Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996429737 666791230 /nfs/dbraw/zinc/79/12/30/666791230.db2.gz VMCLIZQEYKNASN-ZIAGYGMSSA-N 1 1 321.381 0.474 20 5 DCBDMO CO[C@@H]1C[N@@H+](C)[C@@](C)(COC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000861345409 666920380 /nfs/dbraw/zinc/92/03/80/666920380.db2.gz TZNXCEBKFKRRRJ-GXFFZTMASA-N 1 1 312.326 0.444 20 5 DCBDMO Cn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001034643241 667089243 /nfs/dbraw/zinc/08/92/43/667089243.db2.gz LBFOUIYDPLHGTO-FDYHWXHSSA-N 1 1 321.381 0.602 20 5 DCBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515627 667551886 /nfs/dbraw/zinc/55/18/86/667551886.db2.gz IRRMNLXUZZBHQF-MJBXVCDLSA-N 1 1 321.377 0.876 20 5 DCBDMO C[N@H+]1CC[C@H]2CN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000868422565 667570848 /nfs/dbraw/zinc/57/08/48/667570848.db2.gz SVSIYQZOCWUVNA-AAEUAGOBSA-N 1 1 322.369 0.527 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889779251 667996175 /nfs/dbraw/zinc/99/61/75/667996175.db2.gz DJCGPFMQECHKSA-CHWSQXEVSA-N 1 1 322.365 0.605 20 5 DCBDMO C[N@H+](CC(=O)OCCn1cnc([N+](=O)[O-])n1)[C@@H]1CCSC1 ZINC000753952177 668038811 /nfs/dbraw/zinc/03/88/11/668038811.db2.gz CSPSMEQKVSMEQN-SECBINFHSA-N 1 1 315.355 0.167 20 5 DCBDMO C[N@@H+](CC(=O)OCCn1cnc([N+](=O)[O-])n1)[C@@H]1CCSC1 ZINC000753952177 668038813 /nfs/dbraw/zinc/03/88/13/668038813.db2.gz CSPSMEQKVSMEQN-SECBINFHSA-N 1 1 315.355 0.167 20 5 DCBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC000756817966 668101670 /nfs/dbraw/zinc/10/16/70/668101670.db2.gz JEYHYOJVSXJSNA-GHMZBOCLSA-N 1 1 323.353 0.404 20 5 DCBDMO CC(C)[NH+]1CCC(N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000839707148 668135484 /nfs/dbraw/zinc/13/54/84/668135484.db2.gz AHTSLUFWFVHGQS-HUUCEWRRSA-N 1 1 324.425 0.669 20 5 DCBDMO CC(C)(CO)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000760018052 668250842 /nfs/dbraw/zinc/25/08/42/668250842.db2.gz GOUDVTQBQDTKDX-UHFFFAOYSA-N 1 1 323.353 0.101 20 5 DCBDMO C[N@H+]1C[C@@H](O)C[C@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000924977300 668257659 /nfs/dbraw/zinc/25/76/59/668257659.db2.gz QBRUQAWQCHMSCU-QWRGUYRKSA-N 1 1 311.313 0.458 20 5 DCBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](CCn2cnnn2)CC1 ZINC000877948447 668663090 /nfs/dbraw/zinc/66/30/90/668663090.db2.gz CVVWYEAMZQYWEN-UHFFFAOYSA-N 1 1 303.326 0.404 20 5 DCBDMO C[NH+]1CCN(C(=O)CNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000771917441 668759264 /nfs/dbraw/zinc/75/92/64/668759264.db2.gz MTADKSPEMWJQQU-UHFFFAOYSA-N 1 1 313.745 0.829 20 5 DCBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)C1(O)CCOCC1 ZINC000930442181 669019838 /nfs/dbraw/zinc/01/98/38/669019838.db2.gz VGLUJOZHZVVXMA-HNNXBMFYSA-N 1 1 324.377 0.972 20 5 DCBDMO C[C@@H]1CN(CC[N+](=O)[O-])C2(CCCC2)C[N@@H+]1CC[N+](=O)[O-] ZINC000930610424 669047401 /nfs/dbraw/zinc/04/74/01/669047401.db2.gz QYYADCGBSXVGTK-GFCCVEGCSA-N 1 1 300.359 0.859 20 5 DCBDMO C[C@@H]1CN(CC[N+](=O)[O-])C2(CCCC2)C[N@H+]1CC[N+](=O)[O-] ZINC000930610424 669047403 /nfs/dbraw/zinc/04/74/03/669047403.db2.gz QYYADCGBSXVGTK-GFCCVEGCSA-N 1 1 300.359 0.859 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H]3CSC[C@H]3C2)c1 ZINC000879560191 669062950 /nfs/dbraw/zinc/06/29/50/669062950.db2.gz RXNUTQQKWCVJQJ-DMDPSCGWSA-N 1 1 312.395 0.837 20 5 DCBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCNC1=O ZINC000782522320 669102970 /nfs/dbraw/zinc/10/29/70/669102970.db2.gz DCQRBKGGUFTSKR-GFCCVEGCSA-N 1 1 324.312 0.883 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1C1OCCO1 ZINC000933901581 669550017 /nfs/dbraw/zinc/55/00/17/669550017.db2.gz WINHTKDIXKJVLG-LBPRGKRZSA-N 1 1 309.322 0.594 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]1C1OCCO1 ZINC000933901581 669550023 /nfs/dbraw/zinc/55/00/23/669550023.db2.gz WINHTKDIXKJVLG-LBPRGKRZSA-N 1 1 309.322 0.594 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000935399288 669717204 /nfs/dbraw/zinc/71/72/04/669717204.db2.gz IOWJJDRKUKTFNN-DZKIICNBSA-N 1 1 319.361 0.881 20 5 DCBDMO Cc1nn(CN2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000795692386 669907719 /nfs/dbraw/zinc/90/77/19/669907719.db2.gz PKCOGTJDUCGPMZ-DGCLKSJQSA-N 1 1 309.370 0.852 20 5 DCBDMO Nc1cc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc(CO)c1[N+](=O)[O-] ZINC000804397295 670292931 /nfs/dbraw/zinc/29/29/31/670292931.db2.gz WTMZNFWPVVNSIN-CHWSQXEVSA-N 1 1 322.365 0.944 20 5 DCBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCCCCC[NH3+])n1 ZINC000858615906 671022424 /nfs/dbraw/zinc/02/24/24/671022424.db2.gz OLRKGAPIJQMSDS-UHFFFAOYSA-N 1 1 305.360 0.126 20 5 DCBDMO C[C@H](CN1CCN(C)CC1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819032226 671086917 /nfs/dbraw/zinc/08/69/17/671086917.db2.gz DIQWIZKSGULZJT-CJNGLKHVSA-N 1 1 322.409 0.854 20 5 DCBDMO Cn1ncc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000819308537 671110672 /nfs/dbraw/zinc/11/06/72/671110672.db2.gz AIFIKXNDGFTYIL-NSHDSACASA-N 1 1 307.310 0.253 20 5 DCBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)n1 ZINC000827264427 671520052 /nfs/dbraw/zinc/52/00/52/671520052.db2.gz BQXFBZYSIKMFEG-MNOVXSKESA-N 1 1 307.354 0.977 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000828512603 671554712 /nfs/dbraw/zinc/55/47/12/671554712.db2.gz WOELPRWHNSCBPW-RYUDHWBXSA-N 1 1 307.354 0.652 20 5 DCBDMO CCn1ccnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020139328 693709962 /nfs/dbraw/zinc/70/99/62/693709962.db2.gz XOKNPDXMXVVUNB-DDHJBXDOSA-N 1 1 307.354 0.305 20 5 DCBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC001625831281 1157383979 /nfs/dbraw/zinc/38/39/79/1157383979.db2.gz ACEWHAFGUNNYNS-UWVGGRQHSA-N 1 1 323.353 0.099 20 5 DCBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC001625831281 1157383988 /nfs/dbraw/zinc/38/39/88/1157383988.db2.gz ACEWHAFGUNNYNS-UWVGGRQHSA-N 1 1 323.353 0.099 20 5 DCBDMO COc1nccc(C[N@@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001566453255 1159985583 /nfs/dbraw/zinc/98/55/83/1159985583.db2.gz HQYILXPWBWPOHH-VXGBXAGGSA-N 1 1 323.353 0.089 20 5 DCBDMO CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@H]3CC[NH2+]3)c2)CC1 ZINC001578536624 1165050058 /nfs/dbraw/zinc/05/00/58/1165050058.db2.gz CRTBOADUHYJYPT-GFCCVEGCSA-N 1 1 319.365 0.647 20 5 DCBDMO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCOC12C[NH2+]C2 ZINC001580810376 1165723754 /nfs/dbraw/zinc/72/37/54/1165723754.db2.gz WHFDYPGHGRSAMU-UHFFFAOYSA-N 1 1 302.290 0.848 20 5 DCBDMO C[C@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590167044 1166794917 /nfs/dbraw/zinc/79/49/17/1166794917.db2.gz BLPYDFMHFZLRCW-JOYOIKCWSA-N 1 1 318.337 0.978 20 5 DCBDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590213806 1166814218 /nfs/dbraw/zinc/81/42/18/1166814218.db2.gz KMDHRXVATAPRTL-KCJUWKMLSA-N 1 1 304.310 0.730 20 5 DCBDMO CCc1[nH+]ccn1CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001595406443 1167972398 /nfs/dbraw/zinc/97/23/98/1167972398.db2.gz HSWDLVUBHANIQR-UHFFFAOYSA-N 1 1 319.321 0.332 20 5 DCBDMO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC([NH2+]C2COC2)C1 ZINC001598274886 1168019549 /nfs/dbraw/zinc/01/95/49/1168019549.db2.gz QILAAXRFZYFRRR-UHFFFAOYSA-N 1 1 317.305 0.284 20 5 DCBDMO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1CCCOCC1 ZINC001607083792 1170384423 /nfs/dbraw/zinc/38/44/23/1170384423.db2.gz MWOHTSLFKWXICG-UHFFFAOYSA-N 1 1 304.310 0.997 20 5 DCBDMO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@H+]1CCCOCC1 ZINC001607083792 1170384425 /nfs/dbraw/zinc/38/44/25/1170384425.db2.gz MWOHTSLFKWXICG-UHFFFAOYSA-N 1 1 304.310 0.997 20 5 DCBDMO CN(CC[N@@H+](C)C1CC1)c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001609275720 1170907267 /nfs/dbraw/zinc/90/72/67/1170907267.db2.gz DYGZPQKRFBQXGG-UHFFFAOYSA-N 1 1 318.341 0.700 20 5 DCBDMO O=[N+]([O-])c1ccc(C[NH2+]CCn2cnc(-c3nn[nH]n3)n2)cc1 ZINC001609601777 1171040623 /nfs/dbraw/zinc/04/06/23/1171040623.db2.gz ZOCWMKMIPJXZQB-UHFFFAOYSA-N 1 1 315.297 0.156 20 5 DCBDMO CC[N@@H+]1CC[C@@H]1C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001629296788 1171545570 /nfs/dbraw/zinc/54/55/70/1171545570.db2.gz LELUDHKRSFRESR-CYBMUJFWSA-N 1 1 319.365 0.733 20 5 DCBDMO CC[N@H+]1CC[C@@H]1C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001629296788 1171545575 /nfs/dbraw/zinc/54/55/75/1171545575.db2.gz LELUDHKRSFRESR-CYBMUJFWSA-N 1 1 319.365 0.733 20 5 DCBDMO C[N@@H+](CCO)CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001634744686 1171686578 /nfs/dbraw/zinc/68/65/78/1171686578.db2.gz LPYUKPOQOOBDET-UHFFFAOYSA-N 1 1 320.349 0.590 20 5 DCBDMO C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@H+](C2CC2)C1 ZINC001636746489 1171747282 /nfs/dbraw/zinc/74/72/82/1171747282.db2.gz YDNBVCVUVDSVOI-SNVBAGLBSA-N 1 1 308.342 0.129 20 5 DCBDMO CC(C)(O)[C@@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001644832963 1172022691 /nfs/dbraw/zinc/02/26/91/1172022691.db2.gz PHGWTAUEETVTQI-PWSUYJOCSA-N 1 1 310.354 0.608 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001648402126 1173073974 /nfs/dbraw/zinc/07/39/74/1173073974.db2.gz IVTSRODAEKZLFQ-MNOVXSKESA-N 1 1 309.322 0.859 20 5 DCBDMO C[C@](CO)([NH2+]CCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC001654503153 1173806749 /nfs/dbraw/zinc/80/67/49/1173806749.db2.gz IZCZFRDYMYWCFQ-GFCCVEGCSA-N 1 1 302.352 0.437 20 5 DCBDMO Cn1ncc([N+](=O)[O-])c1N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC001655303393 1173817721 /nfs/dbraw/zinc/81/77/21/1173817721.db2.gz JNYGZNDORHTRHI-LLVKDONJSA-N 1 1 322.369 0.247 20 5 DCBDMO C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC001659189749 1173931130 /nfs/dbraw/zinc/93/11/30/1173931130.db2.gz OHRPLKSBIMOMTD-WZRBSPASSA-N 1 1 322.365 0.731 20 5 DCBDMO COc1c(O)ccc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c1[N+](=O)[O-] ZINC001659472630 1173932708 /nfs/dbraw/zinc/93/27/08/1173932708.db2.gz YOONVZUZZYBZQG-QWRGUYRKSA-N 1 1 312.322 0.484 20 5 DCBDMO COc1c(O)ccc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)c1[N+](=O)[O-] ZINC001659472630 1173932713 /nfs/dbraw/zinc/93/27/13/1173932713.db2.gz YOONVZUZZYBZQG-QWRGUYRKSA-N 1 1 312.322 0.484 20 5 DCBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H](CO)[C@H]2CO)cc1 ZINC001659623291 1173933910 /nfs/dbraw/zinc/93/39/10/1173933910.db2.gz ZIWMSABCOMVEHR-NWANDNLSSA-N 1 1 310.350 0.693 20 5 DCBDMO COc1c(O)ccc(C[NH2+]C[C@@H](C)S(C)(=O)=O)c1[N+](=O)[O-] ZINC001665355334 1174508923 /nfs/dbraw/zinc/50/89/23/1174508923.db2.gz PHISIZRAXHNQFY-MRVPVSSYSA-N 1 1 318.351 0.832 20 5 DCBDMO Cc1nn(C)cc1C[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001673434046 1175201690 /nfs/dbraw/zinc/20/16/90/1175201690.db2.gz CGLMGEVDQOTSJQ-ZIAGYGMSSA-N 1 1 323.397 0.674 20 5 DCBDMO Cc1nn(C)cc1C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001673434046 1175201694 /nfs/dbraw/zinc/20/16/94/1175201694.db2.gz CGLMGEVDQOTSJQ-ZIAGYGMSSA-N 1 1 323.397 0.674 20 5 DCBDMO Cc1nn(C)cc1C[N@H+](C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001673434046 1175201699 /nfs/dbraw/zinc/20/16/99/1175201699.db2.gz CGLMGEVDQOTSJQ-ZIAGYGMSSA-N 1 1 323.397 0.674 20 5 DCBDMO CN(CCC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1ccn[nH]1 ZINC001699491273 1178159653 /nfs/dbraw/zinc/15/96/53/1178159653.db2.gz DDCARMHARMGBMW-UHFFFAOYSA-N 1 1 321.341 0.303 20 5 DCBDMO Cc1ccc(C[N@@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)n1 ZINC001714537437 1181406995 /nfs/dbraw/zinc/40/69/95/1181406995.db2.gz UGDSQYHHFFERQJ-ZIAGYGMSSA-N 1 1 306.366 0.912 20 5 DCBDMO Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c(C)n1 ZINC001714703593 1181491872 /nfs/dbraw/zinc/49/18/72/1181491872.db2.gz JUVAQEYIOOXXMS-ZIAGYGMSSA-N 1 1 306.366 0.912 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(CNC(=O)c2cocn2)CC1 ZINC001716677836 1182492317 /nfs/dbraw/zinc/49/23/17/1182492317.db2.gz LZAWBTYYGUCLLT-UHFFFAOYSA-N 1 1 320.309 0.369 20 5 DCBDMO O=C(NCc1ccc(C[NH2+]CCO)cc1F)[C@@H]1CC1[N+](=O)[O-] ZINC001718034490 1183119507 /nfs/dbraw/zinc/11/95/07/1183119507.db2.gz KMYRUOBURUDAGU-DGCLKSJQSA-N 1 1 311.313 0.189 20 5 DCBDMO CN(CC[N@@H+](C)CCc1ccns1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001732581567 1185859898 /nfs/dbraw/zinc/85/98/98/1185859898.db2.gz GOFFZRRAUHODBO-VXGBXAGGSA-N 1 1 312.395 0.741 20 5 DCBDMO CN(CC[N@H+](C)CCc1ccns1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001732581567 1185859904 /nfs/dbraw/zinc/85/99/04/1185859904.db2.gz GOFFZRRAUHODBO-VXGBXAGGSA-N 1 1 312.395 0.741 20 5 DCBDMO CN(CC[N@@H+](C)CCc1ccns1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001732581567 1185859910 /nfs/dbraw/zinc/85/99/10/1185859910.db2.gz GOFFZRRAUHODBO-VXGBXAGGSA-N 1 1 312.395 0.741 20 5 DCBDMO C[C@@H]1CN(C)[C@@H](C)CN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001164636507 719257921 /nfs/dbraw/zinc/25/79/21/719257921.db2.gz TYIOLQJKBUAANP-VHSXEESVSA-N 1 1 306.370 0.600 20 5 DCBDMO COC(=O)c1cnc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c([N+](=O)[O-])c1 ZINC000357711392 719384303 /nfs/dbraw/zinc/38/43/03/719384303.db2.gz UHNQIHOAVRIXAR-NEPJUHHUSA-N 1 1 322.321 0.296 20 5 DCBDMO Cc1ncc([N+](=O)[O-])c(N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC001165038449 721907685 /nfs/dbraw/zinc/90/76/85/721907685.db2.gz LLYYSDWJAUWUFD-GFCCVEGCSA-N 1 1 307.354 0.994 20 5 DCBDMO COCCCCC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001124572847 751675516 /nfs/dbraw/zinc/67/55/16/751675516.db2.gz ICNOQPGSMZGBQT-UHFFFAOYSA-N 1 1 313.358 0.351 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)C1CC(F)(F)C1 ZINC001125489482 747244594 /nfs/dbraw/zinc/24/45/94/747244594.db2.gz RLVWZSSMKCQSTR-UHFFFAOYSA-N 1 1 317.296 0.579 20 5 DCBDMO CN(C)c1cc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])ccn1 ZINC001126932288 750143976 /nfs/dbraw/zinc/14/39/76/750143976.db2.gz QNUIOIAFTNJNMF-VXGBXAGGSA-N 1 1 307.354 0.019 20 5 DCBDMO COC(=O)COc1c(C)cc(-n2cnc(C[NH3+])n2)cc1[N+](=O)[O-] ZINC001168755760 754425038 /nfs/dbraw/zinc/42/50/38/754425038.db2.gz FNSMIHDJOHZPJW-UHFFFAOYSA-N 1 1 321.293 0.494 20 5 DCBDMO Cn1nccc1CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086082798 759691850 /nfs/dbraw/zinc/69/18/50/759691850.db2.gz DIZPAAYJIIXMPP-ZMJPVWNMSA-N 1 1 321.381 0.112 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1cccs1 ZINC001122890732 767889978 /nfs/dbraw/zinc/88/99/78/767889978.db2.gz QLGOTSJWRURQHS-UHFFFAOYSA-N 1 1 309.351 0.909 20 5 DCBDMO Cn1cc(CC[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC001086363160 760100860 /nfs/dbraw/zinc/10/08/60/760100860.db2.gz FHQKNZCBISFSBR-AAVRWANBSA-N 1 1 321.381 0.112 20 5 DCBDMO O=C(Cc1nnc[nH]1)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001170716995 765281893 /nfs/dbraw/zinc/28/18/93/765281893.db2.gz BYJHFDPIMORTAU-UHFFFAOYSA-N 1 1 324.366 0.613 20 5 DCBDMO Cc1nnc([C@H]2CC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)[nH]1 ZINC001171217232 767021076 /nfs/dbraw/zinc/02/10/76/767021076.db2.gz OMNOKEQARICQHV-JQWIXIFHSA-N 1 1 321.341 0.068 20 5 DCBDMO Cc1n[nH]c([C@H]2CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC001171217232 767021088 /nfs/dbraw/zinc/02/10/88/767021088.db2.gz OMNOKEQARICQHV-JQWIXIFHSA-N 1 1 321.341 0.068 20 5 DCBDMO Cc1n[nH]c([C@H]2CC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC001171217232 767021100 /nfs/dbraw/zinc/02/11/00/767021100.db2.gz OMNOKEQARICQHV-JQWIXIFHSA-N 1 1 321.341 0.068 20 5 DCBDMO Cc1nc([C@H]2CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC001171217232 767021110 /nfs/dbraw/zinc/02/11/10/767021110.db2.gz OMNOKEQARICQHV-JQWIXIFHSA-N 1 1 321.341 0.068 20 5 DCBDMO Cc1nc([C@H]2CC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC001171217232 767021121 /nfs/dbraw/zinc/02/11/21/767021121.db2.gz OMNOKEQARICQHV-JQWIXIFHSA-N 1 1 321.341 0.068 20 5 DCBDMO COc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC001121025117 767360168 /nfs/dbraw/zinc/36/01/68/767360168.db2.gz UIDDDMYEKDPXMV-JTQLQIEISA-N 1 1 322.321 0.362 20 5 DCBDMO O=C(Cc1nnc[nH]1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001147277516 767704056 /nfs/dbraw/zinc/70/40/56/767704056.db2.gz GTJWOZYFOWKTMX-UHFFFAOYSA-N 1 1 304.310 0.161 20 5 DCBDMO C[N@@H+](CC(=O)NCCNc1cc[nH]c(=O)c1[N+](=O)[O-])C1CCC1 ZINC001094221755 768889657 /nfs/dbraw/zinc/88/96/57/768889657.db2.gz PHHOGISGBFFCNG-UHFFFAOYSA-N 1 1 323.353 0.708 20 5 DCBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC001176902012 770242955 /nfs/dbraw/zinc/24/29/55/770242955.db2.gz FCKFFAYEWFCEKC-MNOVXSKESA-N 1 1 305.338 0.881 20 5 DCBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@]3(CCOC3=O)C2)c([N+](=O)[O-])c1 ZINC001177003226 770289201 /nfs/dbraw/zinc/28/92/01/770289201.db2.gz UERWWZCILYQGLC-OAHLLOKOSA-N 1 1 319.317 0.833 20 5 DCBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)[C@H](C)C1 ZINC001155147009 770413436 /nfs/dbraw/zinc/41/34/36/770413436.db2.gz XUZIRNJSFGBBMQ-GHMZBOCLSA-N 1 1 322.365 0.704 20 5 DCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)[C@H](C)C1 ZINC001155147009 770413438 /nfs/dbraw/zinc/41/34/38/770413438.db2.gz XUZIRNJSFGBBMQ-GHMZBOCLSA-N 1 1 322.365 0.704 20 5 DCBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1c[nH+]c2n1CCC2 ZINC001177740538 770540637 /nfs/dbraw/zinc/54/06/37/770540637.db2.gz ROMDMFOJDOKTKN-UHFFFAOYSA-N 1 1 317.305 0.216 20 5 DCBDMO Cc1nc(Cl)nc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)c1[N+](=O)[O-] ZINC001155568615 770545272 /nfs/dbraw/zinc/54/52/72/770545272.db2.gz ATTFAIXUQCHNGW-UPONEAKYSA-N 1 1 312.717 0.337 20 5 DCBDMO COCCC[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178450149 770744556 /nfs/dbraw/zinc/74/45/56/770744556.db2.gz USKDURFOKPDAPK-CHWSQXEVSA-N 1 1 301.387 0.954 20 5 DCBDMO C[NH+]1CCN(C(=N)Nc2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])CC1 ZINC001157915903 771693262 /nfs/dbraw/zinc/69/32/62/771693262.db2.gz ZUBQSCIXFJOXFV-UHFFFAOYSA-N 1 1 314.733 0.476 20 5 DCBDMO CCN1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C(C)(C)C1 ZINC001158569810 771791535 /nfs/dbraw/zinc/79/15/35/771791535.db2.gz YXYBHGFMVKKUBM-UHFFFAOYSA-N 1 1 320.397 0.992 20 5 DCBDMO CCOC(=O)c1ccnc(NCC[N@@H+](C)CCO)c1[N+](=O)[O-] ZINC001187593704 772200812 /nfs/dbraw/zinc/20/08/12/772200812.db2.gz OPPKFBPKMQKOPB-UHFFFAOYSA-N 1 1 312.326 0.503 20 5 DCBDMO COc1nc(C)nc(NCCC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC001161700491 772268233 /nfs/dbraw/zinc/26/82/33/772268233.db2.gz FMSYPYKMXHAUIB-UHFFFAOYSA-N 1 1 324.385 0.751 20 5 DCBDMO CN(C)C1(CNc2c[n+]([O-])ccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001164213241 772627130 /nfs/dbraw/zinc/62/71/30/772627130.db2.gz QNKOORDQDVYORM-UHFFFAOYSA-N 1 1 309.370 0.666 20 5 DCBDMO CN(CCN1CC[NH+](CCCF)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001267607813 939567189 /nfs/dbraw/zinc/56/71/89/939567189.db2.gz VZHIMCIIVMUKTO-CHWSQXEVSA-N 1 1 316.377 0.087 20 5 DCBDMO Cc1ncc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC001268540074 940223878 /nfs/dbraw/zinc/22/38/78/940223878.db2.gz BJIMEVCXVHUXSU-JGLYPNHGSA-N 1 1 310.379 0.879 20 5 DCBDMO O=C(NC/C=C/C[NH2+]CCC1CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001483007225 941774103 /nfs/dbraw/zinc/77/41/03/941774103.db2.gz HQKYDUBRSXAGMU-GEYXIOIISA-N 1 1 311.382 0.730 20 5 DCBDMO Cc1cnc(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001321057608 946146726 /nfs/dbraw/zinc/14/67/26/946146726.db2.gz QWLSTXHEODBJEY-XCUNLHGCSA-N 1 1 305.338 0.212 20 5 DCBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC001324634859 947488317 /nfs/dbraw/zinc/48/83/17/947488317.db2.gz HPOLCXJQVNPGKA-LLVKDONJSA-N 1 1 323.353 0.123 20 5 DCBDMO COCC[N@@H+](C)C[C@@H](O)CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001327576128 948557621 /nfs/dbraw/zinc/55/76/21/948557621.db2.gz VPSRQBVLWZRBNW-OAHLLOKOSA-N 1 1 309.366 0.850 20 5 DCBDMO Cc1cc(C)n(CC[N@@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001265842688 950020330 /nfs/dbraw/zinc/02/03/30/950020330.db2.gz FXEIJMGQTHYCMI-ZIAGYGMSSA-N 1 1 323.397 0.603 20 5 DCBDMO Cc1cc(C)n(CC[N@H+](C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001265842688 950020350 /nfs/dbraw/zinc/02/03/50/950020350.db2.gz FXEIJMGQTHYCMI-ZIAGYGMSSA-N 1 1 323.397 0.603 20 5 DCBDMO Cc1cc(C)n(CC[N@@H+](C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001265842688 950020372 /nfs/dbraw/zinc/02/03/72/950020372.db2.gz FXEIJMGQTHYCMI-ZIAGYGMSSA-N 1 1 323.397 0.603 20 5 DCBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)C[C@@]1(O)CCOC1)CC2 ZINC001334613331 952358795 /nfs/dbraw/zinc/35/87/95/952358795.db2.gz IBBZCTIJLWQKCX-CVEARBPZSA-N 1 1 322.361 0.855 20 5 DCBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)C[C@@]1(O)CCOC1)CC2 ZINC001334613331 952358804 /nfs/dbraw/zinc/35/88/04/952358804.db2.gz IBBZCTIJLWQKCX-CVEARBPZSA-N 1 1 322.361 0.855 20 5 DCBDMO COc1ncccc1C[NH2+]CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001276002855 952608958 /nfs/dbraw/zinc/60/89/58/952608958.db2.gz ZLVPUIWDMVCUFO-CHWSQXEVSA-N 1 1 322.365 0.694 20 5 DCBDMO C[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001337480431 952864659 /nfs/dbraw/zinc/86/46/59/952864659.db2.gz LXYPSGKJRZTWLH-LLVKDONJSA-N 1 1 308.338 0.357 20 5 DCBDMO CN1CCN(C[C@@H](O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001338420635 953009463 /nfs/dbraw/zinc/00/94/63/953009463.db2.gz XCBPIHCAOGYLBP-HNNXBMFYSA-N 1 1 308.382 0.293 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@@H]2C1 ZINC001339316634 953086677 /nfs/dbraw/zinc/08/66/77/953086677.db2.gz IXAPHPAWJWFWHN-UHTWSYAYSA-N 1 1 320.349 0.213 20 5 DCBDMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC001346296510 953849564 /nfs/dbraw/zinc/84/95/64/953849564.db2.gz NDMSUSNWIXKDMM-BXUZGUMPSA-N 1 1 304.350 0.599 20 5 DCBDMO C[C@@H](c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1C)[N+](=O)[O-] ZINC001350589511 955139194 /nfs/dbraw/zinc/13/91/94/955139194.db2.gz VPYFNRAYDFVSQO-RYUDHWBXSA-N 1 1 324.385 0.454 20 5 DCBDMO C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC001353316077 956017579 /nfs/dbraw/zinc/01/75/79/956017579.db2.gz MGUGECZBKXOADT-MAZHCROVSA-N 1 1 322.409 0.852 20 5 DCBDMO C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCN1C ZINC001353316077 956017593 /nfs/dbraw/zinc/01/75/93/956017593.db2.gz MGUGECZBKXOADT-MAZHCROVSA-N 1 1 322.409 0.852 20 5 DCBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@@H](CO)[C@H](CCO)C3)nc2c1 ZINC001308164740 960171845 /nfs/dbraw/zinc/17/18/45/960171845.db2.gz VIXSCMOVYCUMBZ-MNOVXSKESA-N 1 1 320.349 0.894 20 5 DCBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3C[C@@H](CO)[C@H](CCO)C3)nc2c1 ZINC001308164740 960171849 /nfs/dbraw/zinc/17/18/49/960171849.db2.gz VIXSCMOVYCUMBZ-MNOVXSKESA-N 1 1 320.349 0.894 20 5 DCBDMO CC[N@H+]1C[C@H](C)N(c2nnc(CCC[N+](=O)[O-])n2C)C[C@H]1C ZINC001519565658 1017216889 /nfs/dbraw/zinc/21/68/89/1017216889.db2.gz CPBZKIRPKWLXES-NEPJUHHUSA-N 1 1 310.402 0.943 20 5 DCBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001557101916 1012261635 /nfs/dbraw/zinc/26/16/35/1012261635.db2.gz DBHRKQMUFZBMSK-LLVKDONJSA-N 1 1 308.338 0.309 20 5 DCBDMO Cc1n[nH]c(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)c1[N+](=O)[O-] ZINC001558538315 1012365785 /nfs/dbraw/zinc/36/57/85/1012365785.db2.gz GPRKWQPASPNOHF-NSHDSACASA-N 1 1 323.353 0.609 20 5 DCBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001542147498 1012482448 /nfs/dbraw/zinc/48/24/48/1012482448.db2.gz KIYNWOGJOZPDKC-SECBINFHSA-N 1 1 306.326 0.899 20 5 DCBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@H](O)C3(O)CCC3)C2)nc1 ZINC001459701290 1012819289 /nfs/dbraw/zinc/81/92/89/1012819289.db2.gz SRMTZGMPASOMDQ-YPMHNXCESA-N 1 1 322.365 0.752 20 5 DCBDMO CCC[N@@H+](C)CC(=O)NCCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001478262170 1017334295 /nfs/dbraw/zinc/33/42/95/1017334295.db2.gz MDYQCGCPOJYIIU-UHFFFAOYSA-N 1 1 309.370 0.884 20 5 DCBDMO CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cnoc1C ZINC001479844112 1017870972 /nfs/dbraw/zinc/87/09/72/1017870972.db2.gz YUDBCXITSBSUKA-CHWSQXEVSA-N 1 1 310.354 0.976 20 5 DCBDMO CC[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cnoc1C ZINC001479844112 1017870990 /nfs/dbraw/zinc/87/09/90/1017870990.db2.gz YUDBCXITSBSUKA-CHWSQXEVSA-N 1 1 310.354 0.976 20 5 DCBDMO CC[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cnoc1C ZINC001479844112 1017871007 /nfs/dbraw/zinc/87/10/07/1017871007.db2.gz YUDBCXITSBSUKA-CHWSQXEVSA-N 1 1 310.354 0.976 20 5 DCBDMO C[C@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000420419738 240024936 /nfs/dbraw/zinc/02/49/36/240024936.db2.gz JJCKHPBYOIGIFD-NSHDSACASA-N 1 1 313.379 0.761 20 5 DCBDMO CNC(=O)c1ccc(NC[C@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000264790736 204158638 /nfs/dbraw/zinc/15/86/38/204158638.db2.gz SIXHHJVAWMFXJM-LBPRGKRZSA-N 1 1 321.381 0.612 20 5 DCBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000266176045 205160964 /nfs/dbraw/zinc/16/09/64/205160964.db2.gz XLWCGUWPTLXJRE-LBPRGKRZSA-N 1 1 306.366 0.879 20 5 DCBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@H+](C)CCN2C)c1 ZINC000266176045 205160969 /nfs/dbraw/zinc/16/09/69/205160969.db2.gz XLWCGUWPTLXJRE-LBPRGKRZSA-N 1 1 306.366 0.879 20 5 DCBDMO O=C(NC1CC1)N[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000274055687 211313906 /nfs/dbraw/zinc/31/39/06/211313906.db2.gz SVJCAUBOQLSQKF-LLVKDONJSA-N 1 1 308.342 0.327 20 5 DCBDMO C[N@@H+]1CCC[C@@]2(CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339440989 253084900 /nfs/dbraw/zinc/08/49/00/253084900.db2.gz RXODBNFEBHVJSN-LSDHHAIUSA-N 1 1 323.397 0.570 20 5 DCBDMO C[N@H+]1CCC[C@@]2(CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339440989 253084901 /nfs/dbraw/zinc/08/49/01/253084901.db2.gz RXODBNFEBHVJSN-LSDHHAIUSA-N 1 1 323.397 0.570 20 5 DCBDMO CN1CCC[C@@]2(CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339440989 253084903 /nfs/dbraw/zinc/08/49/03/253084903.db2.gz RXODBNFEBHVJSN-LSDHHAIUSA-N 1 1 323.397 0.570 20 5 DCBDMO CN1CCC[C@@]2(CC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339440989 253084905 /nfs/dbraw/zinc/08/49/05/253084905.db2.gz RXODBNFEBHVJSN-LSDHHAIUSA-N 1 1 323.397 0.570 20 5 DCBDMO O=C(Cn1cnc([N+](=O)[O-])n1)Nc1c[nH+]ccc1-n1cccn1 ZINC000346922716 254114244 /nfs/dbraw/zinc/11/42/44/254114244.db2.gz OBFVCYLKNBHVIX-UHFFFAOYSA-N 1 1 314.265 0.406 20 5 DCBDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000347516767 254164095 /nfs/dbraw/zinc/16/40/95/254164095.db2.gz HUBGRFKFIQGIKB-JTQLQIEISA-N 1 1 311.342 0.169 20 5 DCBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1cc([N+](=O)[O-])n[nH]1 ZINC000285698128 131194147 /nfs/dbraw/zinc/19/41/47/131194147.db2.gz HLPCCDPRQDXMFL-JTQLQIEISA-N 1 1 311.342 0.285 20 5 DCBDMO C[C@H](O)C[N@@H+](CCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000289361021 131377693 /nfs/dbraw/zinc/37/76/93/131377693.db2.gz AHCWOJIOIVIEDD-NWDGAFQWSA-N 1 1 314.338 0.010 20 5 DCBDMO Cc1nn(C)c(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000108299994 395787788 /nfs/dbraw/zinc/78/77/88/395787788.db2.gz GSGAIKWVMVVCTL-LLVKDONJSA-N 1 1 307.354 0.851 20 5 DCBDMO Cc1ccc(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000235924305 395893685 /nfs/dbraw/zinc/89/36/85/395893685.db2.gz SREKJLOZPCYBOZ-SNVBAGLBSA-N 1 1 315.351 0.170 20 5 DCBDMO NC(=O)N[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273169625 395904657 /nfs/dbraw/zinc/90/46/57/395904657.db2.gz OQWMEJNEAORDID-QWRGUYRKSA-N 1 1 324.337 0.077 20 5 DCBDMO C[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)[N@H+]1CCC[C@@H](C)C1 ZINC000063810156 395982947 /nfs/dbraw/zinc/98/29/47/395982947.db2.gz RPTZRABQFMJWRA-GHMZBOCLSA-N 1 1 310.358 0.423 20 5 DCBDMO COC(=O)c1cnc(N2CC[NH+](C[C@@H](C)O)CC2)c([N+](=O)[O-])c1 ZINC000276845827 396032351 /nfs/dbraw/zinc/03/23/51/396032351.db2.gz XAXRUEIYYQZTFV-SNVBAGLBSA-N 1 1 324.337 0.279 20 5 DCBDMO COCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000068336827 396052826 /nfs/dbraw/zinc/05/28/26/396052826.db2.gz RJGSFFDKFSZTGZ-UHFFFAOYSA-N 1 1 324.381 0.969 20 5 DCBDMO COCCC[N@@H+](C)CCNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000152387328 396008291 /nfs/dbraw/zinc/00/82/91/396008291.db2.gz LTGDBISFTRTCBM-UHFFFAOYSA-N 1 1 313.358 0.335 20 5 DCBDMO COCCC[N@@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176893502 396163014 /nfs/dbraw/zinc/16/30/14/396163014.db2.gz GSXIUBOAPPIXQR-UHFFFAOYSA-N 1 1 310.354 0.875 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000177046396 396165631 /nfs/dbraw/zinc/16/56/31/396165631.db2.gz BWKQGEHPHRUHEB-MWLCHTKSSA-N 1 1 307.354 0.841 20 5 DCBDMO C[C@H]1OCC[C@@]12C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CCO2 ZINC000280470721 396203177 /nfs/dbraw/zinc/20/31/77/396203177.db2.gz OXQLFTRYXPNVMA-IUODEOHRSA-N 1 1 323.349 0.636 20 5 DCBDMO C[C@H]1OCC[C@@]12C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CCO2 ZINC000280470721 396203180 /nfs/dbraw/zinc/20/31/80/396203180.db2.gz OXQLFTRYXPNVMA-IUODEOHRSA-N 1 1 323.349 0.636 20 5 DCBDMO COc1cc(C[NH2+][C@@H]2CC(=O)N(C)C2)c([N+](=O)[O-])cc1OC ZINC000263785070 396231920 /nfs/dbraw/zinc/23/19/20/396231920.db2.gz WMSNIMKKLQZUON-SNVBAGLBSA-N 1 1 309.322 0.932 20 5 DCBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000184337462 396291589 /nfs/dbraw/zinc/29/15/89/396291589.db2.gz ZQKMNFCCGCYESN-UHFFFAOYSA-N 1 1 317.367 0.187 20 5 DCBDMO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C[N@H+]1C1CC1 ZINC000185281889 396324057 /nfs/dbraw/zinc/32/40/57/396324057.db2.gz STOFKFBYRYBCGK-DTWKUNHWSA-N 1 1 305.338 0.927 20 5 DCBDMO CN1CC[C@H]([N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000265667660 396335636 /nfs/dbraw/zinc/33/56/36/396335636.db2.gz WESGASPFBIJTDK-OCCSQVGLSA-N 1 1 323.349 0.497 20 5 DCBDMO C[C@@H](O)C[N@H+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000191233025 396417671 /nfs/dbraw/zinc/41/76/71/396417671.db2.gz ZPHNVGWSRXTIKF-QWHCGFSZSA-N 1 1 324.381 0.143 20 5 DCBDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269583337 396426545 /nfs/dbraw/zinc/42/65/45/396426545.db2.gz ABXHWZIVKJHQRD-GFCCVEGCSA-N 1 1 322.365 0.699 20 5 DCBDMO CCn1nc(C)c([N+](=O)[O-])c1NC1CC[NH+](CC(=O)NC)CC1 ZINC000192490039 396431561 /nfs/dbraw/zinc/43/15/61/396431561.db2.gz KVRKDBVHCDLBQQ-UHFFFAOYSA-N 1 1 324.385 0.742 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](n3cccn3)C2)c1 ZINC000291755348 396510868 /nfs/dbraw/zinc/51/08/68/396510868.db2.gz KVWPBEBTOSKTCE-DGCLKSJQSA-N 1 1 306.326 0.296 20 5 DCBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000371452098 396467077 /nfs/dbraw/zinc/46/70/77/396467077.db2.gz QAVUVQDEEOZPRZ-RYUDHWBXSA-N 1 1 307.354 0.924 20 5 DCBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cc(Cl)c1=O)C1CC1 ZINC000290818617 396473333 /nfs/dbraw/zinc/47/33/33/396473333.db2.gz SFAWUHGIJINRNV-JTQLQIEISA-N 1 1 301.730 0.865 20 5 DCBDMO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000594965851 396541350 /nfs/dbraw/zinc/54/13/50/396541350.db2.gz LPBQETWSXLTJEO-RYUDHWBXSA-N 1 1 300.336 0.496 20 5 DCBDMO C[N@H+]1CC[C@]2(CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C2)C1 ZINC000292307035 396543700 /nfs/dbraw/zinc/54/37/00/396543700.db2.gz SGGHVTCDWJPOCJ-HNNXBMFYSA-N 1 1 320.349 0.311 20 5 DCBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588861854 396696217 /nfs/dbraw/zinc/69/62/17/396696217.db2.gz VSDNUKXGBFMSFU-ZIAGYGMSSA-N 1 1 305.334 0.876 20 5 DCBDMO CN(CCCN1CC[NH+](C)CC1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596120066 396719782 /nfs/dbraw/zinc/71/97/82/396719782.db2.gz FIBJXMPWAJSASI-UHFFFAOYSA-N 1 1 309.370 0.769 20 5 DCBDMO CC[N@@H+](C)C[C@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304326742 396729828 /nfs/dbraw/zinc/72/98/28/396729828.db2.gz SVRHNZZURZSZDB-TZMCWYRMSA-N 1 1 311.386 0.426 20 5 DCBDMO CC[N@@H+](C)C[C@@H](O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000319555141 396810811 /nfs/dbraw/zinc/81/08/11/396810811.db2.gz OIHNFLXYZGWDSY-LLVKDONJSA-N 1 1 306.322 0.617 20 5 DCBDMO Cc1nn(C)c(C(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000564129916 396810876 /nfs/dbraw/zinc/81/08/76/396810876.db2.gz RJZLKGBSKCOHKI-WDEREUQCSA-N 1 1 307.354 0.945 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000611515726 396878683 /nfs/dbraw/zinc/87/86/83/396878683.db2.gz LXPIBXAXHXXDTG-UHFFFAOYSA-N 1 1 310.354 0.462 20 5 DCBDMO CC(C)c1n[nH]c(C(=O)NCC[N@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000600537079 396887479 /nfs/dbraw/zinc/88/74/79/396887479.db2.gz WSNVMSWQAQZVEU-SECBINFHSA-N 1 1 311.342 0.238 20 5 DCBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000600805904 396945915 /nfs/dbraw/zinc/94/59/15/396945915.db2.gz BSCGIJYEJKAFMW-NSHDSACASA-N 1 1 318.333 0.873 20 5 DCBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@](F)(CO)C1 ZINC000338623401 396951719 /nfs/dbraw/zinc/95/17/19/396951719.db2.gz GEUUKNLMXMHYJM-FZMZJTMJSA-N 1 1 314.313 0.741 20 5 DCBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338623401 396951726 /nfs/dbraw/zinc/95/17/26/396951726.db2.gz GEUUKNLMXMHYJM-FZMZJTMJSA-N 1 1 314.313 0.741 20 5 DCBDMO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601150796 397011748 /nfs/dbraw/zinc/01/17/48/397011748.db2.gz DIEIEEHONWVZNP-JTQLQIEISA-N 1 1 310.329 0.710 20 5 DCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601150796 397011749 /nfs/dbraw/zinc/01/17/49/397011749.db2.gz DIEIEEHONWVZNP-JTQLQIEISA-N 1 1 310.329 0.710 20 5 DCBDMO O=C1CC[C@@H](C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)N1 ZINC000592998854 397311881 /nfs/dbraw/zinc/31/18/81/397311881.db2.gz GNHYFLZZONDOHZ-LBPRGKRZSA-N 1 1 304.350 0.995 20 5 DCBDMO O=C1CCc2cc([N+](=O)[O-])c(NCC[N@@H+]3CC[C@H](O)C3)cc2N1 ZINC000599200177 397360851 /nfs/dbraw/zinc/36/08/51/397360851.db2.gz ZNGHGPSPVIODDH-NSHDSACASA-N 1 1 320.349 0.958 20 5 DCBDMO C[N@H+]1CCCC[C@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000599007584 397322605 /nfs/dbraw/zinc/32/26/05/397322605.db2.gz QRELEMFTLDFKPI-GFCCVEGCSA-N 1 1 324.385 0.822 20 5 DCBDMO O=[N+]([O-])c1cc2c(cc1CNCC[N@H+]1CC[C@H](O)C1)OCCO2 ZINC000599019048 397325004 /nfs/dbraw/zinc/32/50/04/397325004.db2.gz PIVZUUQAKXSUEC-LBPRGKRZSA-N 1 1 323.349 0.522 20 5 DCBDMO O=[N+]([O-])c1cc2c(cc1CNCC[N@@H+]1CC[C@H](O)C1)OCCO2 ZINC000599019048 397325008 /nfs/dbraw/zinc/32/50/08/397325008.db2.gz PIVZUUQAKXSUEC-LBPRGKRZSA-N 1 1 323.349 0.522 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000602810619 397492190 /nfs/dbraw/zinc/49/21/90/397492190.db2.gz HFUREBDPJGOBEY-RYUDHWBXSA-N 1 1 311.386 0.487 20 5 DCBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594198155 397512045 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1 1 322.365 0.934 20 5 DCBDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000841523349 667689677 /nfs/dbraw/zinc/68/96/77/667689677.db2.gz BDXPWXURQXOZGF-QMMMGPOBSA-N 1 1 305.381 0.886 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889764666 667993825 /nfs/dbraw/zinc/99/38/25/667993825.db2.gz SUPCNPSILUWLSP-KGLIPLIRSA-N 1 1 320.349 0.661 20 5 DCBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000874842403 668226383 /nfs/dbraw/zinc/22/63/83/668226383.db2.gz GUODPQODDJGOLR-CHWSQXEVSA-N 1 1 307.354 0.877 20 5 DCBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000762720857 668374081 /nfs/dbraw/zinc/37/40/81/668374081.db2.gz DLKZJTNSCBNNNT-HNNXBMFYSA-N 1 1 322.365 0.457 20 5 DCBDMO Cc1[nH+]ccn1CCCCOC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000778782680 668903944 /nfs/dbraw/zinc/90/39/44/668903944.db2.gz CKKMHHHSYFSBJV-UHFFFAOYSA-N 1 1 308.298 0.715 20 5 DCBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)C[C@@]1(O)CCOC1 ZINC000930353363 668999863 /nfs/dbraw/zinc/99/98/63/668999863.db2.gz JGICEFKNMRRUTE-CVEARBPZSA-N 1 1 324.377 0.972 20 5 DCBDMO O=[N+]([O-])c1cccc([C@@H](O)CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)c1 ZINC000880070854 669154057 /nfs/dbraw/zinc/15/40/57/669154057.db2.gz XTFXZWOOJFEPEY-XHSDSOJGSA-N 1 1 321.377 0.769 20 5 DCBDMO CO[C@H]1COCC[C@@H]1[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000880433559 669210578 /nfs/dbraw/zinc/21/05/78/669210578.db2.gz OXSCHLPHMARBOS-STQMWFEESA-N 1 1 311.338 0.492 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880527787 669226452 /nfs/dbraw/zinc/22/64/52/669226452.db2.gz VBUDQBVXFUQPAR-YPMHNXCESA-N 1 1 307.354 0.700 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880527787 669226453 /nfs/dbraw/zinc/22/64/53/669226453.db2.gz VBUDQBVXFUQPAR-YPMHNXCESA-N 1 1 307.354 0.700 20 5 DCBDMO O=C1CC[C@@H]([N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C(=O)N1 ZINC000799139671 670043782 /nfs/dbraw/zinc/04/37/82/670043782.db2.gz VRNAPHPSLILYGN-MWLCHTKSSA-N 1 1 319.321 0.281 20 5 DCBDMO O=C1CC[C@@H]([N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C(=O)N1 ZINC000799139671 670043787 /nfs/dbraw/zinc/04/37/87/670043787.db2.gz VRNAPHPSLILYGN-MWLCHTKSSA-N 1 1 319.321 0.281 20 5 DCBDMO Cc1nn(C[N@H+]2CC[C@H](CC(N)=O)C2)c2ncc([N+](=O)[O-])cc12 ZINC000808227451 670401517 /nfs/dbraw/zinc/40/15/17/670401517.db2.gz FGVVGHZLVKFJBL-SNVBAGLBSA-N 1 1 318.337 0.803 20 5 DCBDMO C[C@H](CN1CCN(C)CC1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819032004 671086844 /nfs/dbraw/zinc/08/68/44/671086844.db2.gz BEWYWPHZMZUTMP-CZUORRHYSA-N 1 1 322.409 0.854 20 5 DCBDMO C[C@H](CN1CCN(C)CC1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819032227 671087110 /nfs/dbraw/zinc/08/71/10/671087110.db2.gz DIQWIZKSGULZJT-CZUORRHYSA-N 1 1 322.409 0.854 20 5 DCBDMO Cn1cc[nH+]c1N1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000853355391 671229066 /nfs/dbraw/zinc/22/90/66/671229066.db2.gz MWVOWRSPXMTCRM-UHFFFAOYSA-N 1 1 303.326 0.632 20 5 DCBDMO O=C(NCCC[NH+]1CCOCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823533537 671398720 /nfs/dbraw/zinc/39/87/20/671398720.db2.gz JZPHVEGBGFIDBD-AWEZNQCLSA-N 1 1 323.349 0.467 20 5 DCBDMO C[N@@H+](CCO)CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000829750683 671587798 /nfs/dbraw/zinc/58/77/98/671587798.db2.gz TVXZOFIHNHJAEF-UONOGXRCSA-N 1 1 307.350 0.739 20 5 DCBDMO O=C(NCC[N@@H+]1CCCOCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830643679 671635768 /nfs/dbraw/zinc/63/57/68/671635768.db2.gz FRWVFDNKXIDSFI-AWEZNQCLSA-N 1 1 323.349 0.467 20 5 DCBDMO O=C(NCC[N@H+]1CCCOCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830643679 671635769 /nfs/dbraw/zinc/63/57/69/671635769.db2.gz FRWVFDNKXIDSFI-AWEZNQCLSA-N 1 1 323.349 0.467 20 5 DCBDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830865333 671644491 /nfs/dbraw/zinc/64/44/91/671644491.db2.gz MDPBAUDZYHZLGN-KWCYVHTRSA-N 1 1 324.333 0.484 20 5 DCBDMO C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000831280057 671662819 /nfs/dbraw/zinc/66/28/19/671662819.db2.gz BXMGODLSJHKRAH-SCRDCRAPSA-N 1 1 305.334 0.648 20 5 DCBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000837190749 671850919 /nfs/dbraw/zinc/85/09/19/671850919.db2.gz MBNOILKTDCUTRZ-BXUZGUMPSA-N 1 1 323.349 0.153 20 5 DCBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000837190749 671850924 /nfs/dbraw/zinc/85/09/24/671850924.db2.gz MBNOILKTDCUTRZ-BXUZGUMPSA-N 1 1 323.349 0.153 20 5 DCBDMO CC[C@H](CO)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2OC)CC1 ZINC000892712520 685433539 /nfs/dbraw/zinc/43/35/39/685433539.db2.gz NGCROMMTETYLNA-LLVKDONJSA-N 1 1 310.354 0.891 20 5 DCBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC001625831278 1157384186 /nfs/dbraw/zinc/38/41/86/1157384186.db2.gz ACEWHAFGUNNYNS-NXEZZACHSA-N 1 1 323.353 0.099 20 5 DCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC001625831278 1157384192 /nfs/dbraw/zinc/38/41/92/1157384192.db2.gz ACEWHAFGUNNYNS-NXEZZACHSA-N 1 1 323.353 0.099 20 5 DCBDMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCOC12C[NH2+]C2 ZINC001580566487 1165641532 /nfs/dbraw/zinc/64/15/32/1165641532.db2.gz VOWHIFQXNWAUCD-UHFFFAOYSA-N 1 1 316.317 0.777 20 5 DCBDMO Nc1ncc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC001583990103 1166298014 /nfs/dbraw/zinc/29/80/14/1166298014.db2.gz XJDLDIJIDHXBPS-GHMZBOCLSA-N 1 1 321.337 0.165 20 5 DCBDMO C[N@H+]1CC[C@H]1CNC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC001584938801 1166386503 /nfs/dbraw/zinc/38/65/03/1166386503.db2.gz PXLSSSQQBRVXHR-JTQLQIEISA-N 1 1 320.305 0.323 20 5 DCBDMO C[C@@H]1[C@@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[N@H+]1C ZINC001590177350 1166801913 /nfs/dbraw/zinc/80/19/13/1166801913.db2.gz CYTOPMBJDVJWRQ-APPZFPTMSA-N 1 1 304.314 0.674 20 5 DCBDMO C[N@H+](CCOCc1ccc(-c2nn[nH]n2)cc1)CC[N+](=O)[O-] ZINC001591115688 1167105516 /nfs/dbraw/zinc/10/55/16/1167105516.db2.gz HCMDSTXBEAVDSK-UHFFFAOYSA-N 1 1 306.326 0.592 20 5 DCBDMO C[N@@H+](CCOCc1ccc(-c2nn[nH]n2)cc1)CC[N+](=O)[O-] ZINC001591115688 1167105519 /nfs/dbraw/zinc/10/55/19/1167105519.db2.gz HCMDSTXBEAVDSK-UHFFFAOYSA-N 1 1 306.326 0.592 20 5 DCBDMO CCn1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])n1 ZINC001622218685 1171419904 /nfs/dbraw/zinc/41/99/04/1171419904.db2.gz BBXUOXAMRNGVCL-VIFPVBQESA-N 1 1 317.371 0.041 20 5 DCBDMO C[N@@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1)CCOCCO ZINC001633122908 1171634343 /nfs/dbraw/zinc/63/43/43/1171634343.db2.gz NZPKKBMDOJQDEZ-UHFFFAOYSA-N 1 1 311.338 0.265 20 5 DCBDMO Cc1n[nH]c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC001640128891 1171867639 /nfs/dbraw/zinc/86/76/39/1171867639.db2.gz YDCRZRDPQGPVCQ-QWRGUYRKSA-N 1 1 323.353 0.298 20 5 DCBDMO Cc1[nH]nc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1[N+](=O)[O-] ZINC001640128891 1171867648 /nfs/dbraw/zinc/86/76/48/1171867648.db2.gz 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O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC([NH2+]C2CCOCC2)C1 ZINC001649380188 1173133549 /nfs/dbraw/zinc/13/35/49/1173133549.db2.gz FWHVIEGAHVDMQI-UHFFFAOYSA-N 1 1 321.333 0.893 20 5 DCBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001651383832 1173748482 /nfs/dbraw/zinc/74/84/82/1173748482.db2.gz PFQVKJOZUFMSBD-MNOVXSKESA-N 1 1 305.338 0.762 20 5 DCBDMO CN(C(=O)C[N@@H+]1C[C@H](O)C[C@]1(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC001654290836 1173804236 /nfs/dbraw/zinc/80/42/36/1173804236.db2.gz DECAECRXWIKCGD-UKRRQHHQSA-N 1 1 323.349 0.375 20 5 DCBDMO CN(C(=O)C[N@H+]1C[C@H](O)C[C@]1(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC001654290836 1173804243 /nfs/dbraw/zinc/80/42/43/1173804243.db2.gz DECAECRXWIKCGD-UKRRQHHQSA-N 1 1 323.349 0.375 20 5 DCBDMO O=C(CC[N@H+]1C[C@H](O)[C@@H](CO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001654687925 1173809387 /nfs/dbraw/zinc/80/93/87/1173809387.db2.gz FLWINVCBQOACRI-MFKMUULPSA-N 1 1 309.322 0.208 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1C(=O)NCC1(C)C 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/nfs/dbraw/zinc/23/96/09/1178239609.db2.gz GEXHKXGPZFZFKC-GHMZBOCLSA-N 1 1 324.406 0.898 20 5 DCBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)n1 ZINC001164671284 719378478 /nfs/dbraw/zinc/37/84/78/719378478.db2.gz VXOKXAYBLHTFGX-BDAKNGLRSA-N 1 1 313.745 0.866 20 5 DCBDMO Cc1ccc(CC(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)o1 ZINC001125858524 747866169 /nfs/dbraw/zinc/86/61/69/747866169.db2.gz CLSIMMAQCTZUNP-UHFFFAOYSA-N 1 1 321.337 0.678 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)/C=C\c1ccc[nH]1 ZINC001126238653 748333781 /nfs/dbraw/zinc/33/37/81/748333781.db2.gz OCUBWAINEQMPRI-PLNGDYQASA-N 1 1 318.337 0.576 20 5 DCBDMO NC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001049020080 755077509 /nfs/dbraw/zinc/07/75/09/755077509.db2.gz XEXWBUSQWQZQHZ-AOOOYVTPSA-N 1 1 324.362 0.032 20 5 DCBDMO NC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001049020080 755077512 /nfs/dbraw/zinc/07/75/12/755077512.db2.gz XEXWBUSQWQZQHZ-AOOOYVTPSA-N 1 1 324.362 0.032 20 5 DCBDMO CC(C)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001098366223 762654656 /nfs/dbraw/zinc/65/46/56/762654656.db2.gz XUGZRDXPHJBKJQ-ZIAGYGMSSA-N 1 1 313.398 0.593 20 5 DCBDMO CC(C)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001098366223 762654663 /nfs/dbraw/zinc/65/46/63/762654663.db2.gz XUGZRDXPHJBKJQ-ZIAGYGMSSA-N 1 1 313.398 0.593 20 5 DCBDMO CC(C)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001098366223 762654653 /nfs/dbraw/zinc/65/46/53/762654653.db2.gz XUGZRDXPHJBKJQ-ZIAGYGMSSA-N 1 1 313.398 0.593 20 5 DCBDMO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cncc(F)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086082923 759691081 /nfs/dbraw/zinc/69/10/81/759691081.db2.gz IAAXBZPZCMAOFV-GJQVQUKXSA-N 1 1 322.340 0.870 20 5 DCBDMO O=C(NC[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086084654 759694832 /nfs/dbraw/zinc/69/48/32/759694832.db2.gz ZWKBCRODISNSSH-YVECIDJPSA-N 1 1 307.354 0.033 20 5 DCBDMO Cn1cc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC001086363144 760100976 /nfs/dbraw/zinc/10/09/76/760100976.db2.gz DODSYUNVUHKTNC-OJAKKHQRSA-N 1 1 307.354 0.070 20 5 DCBDMO Cc1cc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1C ZINC001086363285 760101593 /nfs/dbraw/zinc/10/15/93/760101593.db2.gz LVPMUGRBZANICR-HBJVGIJOSA-N 1 1 321.381 0.378 20 5 DCBDMO COC[C@@H]1c2nnn(C)c2CC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169023448 760560812 /nfs/dbraw/zinc/56/08/12/760560812.db2.gz UKTYROIDXXBKJI-DMDPSCGWSA-N 1 1 309.370 0.806 20 5 DCBDMO COC[C@@H]1c2nnn(C)c2CC[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169023448 760560815 /nfs/dbraw/zinc/56/08/15/760560815.db2.gz UKTYROIDXXBKJI-DMDPSCGWSA-N 1 1 309.370 0.806 20 5 DCBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001116342076 765862514 /nfs/dbraw/zinc/86/25/14/765862514.db2.gz MDLCTYPERCGVPC-RYUDHWBXSA-N 1 1 322.365 0.555 20 5 DCBDMO CN1CC[NH+](CCCNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC001135877709 766149992 /nfs/dbraw/zinc/14/99/92/766149992.db2.gz NHZACVHZXCZHLW-UHFFFAOYSA-N 1 1 300.403 0.576 20 5 DCBDMO Cc1nnc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1C ZINC001118150132 766236976 /nfs/dbraw/zinc/23/69/76/766236976.db2.gz YDHGYMYWAYTRCT-LBPRGKRZSA-N 1 1 321.337 0.561 20 5 DCBDMO COc1cc(C[NH2+][C@H](C)CS(C)(=O)=O)c([N+](=O)[O-])cc1O ZINC001177844335 770562520 /nfs/dbraw/zinc/56/25/20/770562520.db2.gz NDYFVECHJMCIJO-MRVPVSSYSA-N 1 1 318.351 0.832 20 5 DCBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[N@@H+]3CC[C@@H]3C2)n1 ZINC001158430349 771773992 /nfs/dbraw/zinc/77/39/92/771773992.db2.gz DUTLNKOVZNDHRE-SNVBAGLBSA-N 1 1 306.326 0.546 20 5 DCBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[N@H+]3CC[C@@H]3C2)n1 ZINC001158430349 771773994 /nfs/dbraw/zinc/77/39/94/771773994.db2.gz DUTLNKOVZNDHRE-SNVBAGLBSA-N 1 1 306.326 0.546 20 5 DCBDMO C[C@H]1C[N@@H+](C2CC2)CCN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001161493739 772233714 /nfs/dbraw/zinc/23/37/14/772233714.db2.gz HCLWNVCUQBVBJM-VIFPVBQESA-N 1 1 305.338 0.881 20 5 DCBDMO C[C@H]1C[N@H+](C2CC2)CCN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001161493739 772233719 /nfs/dbraw/zinc/23/37/19/772233719.db2.gz HCLWNVCUQBVBJM-VIFPVBQESA-N 1 1 305.338 0.881 20 5 DCBDMO CC(C)(C)OC(=O)[C@H]([NH3+])C1CN(c2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001163118822 772466736 /nfs/dbraw/zinc/46/67/36/772466736.db2.gz DEYINNWDICSBFJ-GFCCVEGCSA-N 1 1 323.353 0.677 20 5 DCBDMO O=[N+]([O-])c1ccc2[nH]c(NC[C@]3(CO)COCC[NH2+]3)nc2c1 ZINC001164047091 772608861 /nfs/dbraw/zinc/60/88/61/772608861.db2.gz XQRYIVOXWQMDPI-ZDUSSCGKSA-N 1 1 307.310 0.234 20 5 DCBDMO NC(=O)[C@H]1CN(c2ccc3ccc([N+](=O)[O-])cc3n2)CC[NH2+]1 ZINC001166723388 772849225 /nfs/dbraw/zinc/84/92/25/772849225.db2.gz BLZDARWWZNBLOZ-GFCCVEGCSA-N 1 1 301.306 0.407 20 5 DCBDMO NC(=O)[C@H]1CN(c2ccc3cccc([N+](=O)[O-])c3n2)CC[NH2+]1 ZINC001166725770 772851604 /nfs/dbraw/zinc/85/16/04/772851604.db2.gz SRURVVJZQNGGAN-SNVBAGLBSA-N 1 1 301.306 0.407 20 5 DCBDMO COC(=O)C1([NH3+])CCN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)CC1 ZINC001166797128 772860882 /nfs/dbraw/zinc/86/08/82/772860882.db2.gz IEOPPDLERWYGSJ-UHFFFAOYSA-N 1 1 319.321 0.942 20 5 DCBDMO NC(=O)C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC001197385794 773735754 /nfs/dbraw/zinc/73/57/54/773735754.db2.gz ZQWFQJZUHZAUST-AWEZNQCLSA-N 1 1 323.349 0.595 20 5 DCBDMO NC(=O)C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC001197385794 773735758 /nfs/dbraw/zinc/73/57/58/773735758.db2.gz ZQWFQJZUHZAUST-AWEZNQCLSA-N 1 1 323.349 0.595 20 5 DCBDMO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ncncc3[N+](=O)[O-])C[C@H]1[N@H+]2C ZINC001228655926 776109813 /nfs/dbraw/zinc/10/98/13/776109813.db2.gz XMJXVOWXNVZPOM-MEWQQHAOSA-N 1 1 322.321 0.930 20 5 DCBDMO CN(CC(C)(C)C[NH2+]Cc1cnn(C)n1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001485251105 943771758 /nfs/dbraw/zinc/77/17/58/943771758.db2.gz YYBZIDPWYXBHPT-VXGBXAGGSA-N 1 1 324.385 0.055 20 5 DCBDMO C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc2nonc2c1 ZINC001317448199 944976137 /nfs/dbraw/zinc/97/61/37/944976137.db2.gz PUAMDZGVFUXGNS-ZWNOBZJWSA-N 1 1 319.321 0.436 20 5 DCBDMO C[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccc2nonc2c1 ZINC001317448199 944976140 /nfs/dbraw/zinc/97/61/40/944976140.db2.gz PUAMDZGVFUXGNS-ZWNOBZJWSA-N 1 1 319.321 0.436 20 5 DCBDMO C[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccc2nonc2c1 ZINC001317448199 944976145 /nfs/dbraw/zinc/97/61/45/944976145.db2.gz PUAMDZGVFUXGNS-ZWNOBZJWSA-N 1 1 319.321 0.436 20 5 DCBDMO C[N@@H+](CCNC(=O)c1cnon1)Cc1ccc([N+](=O)[O-])cc1 ZINC001317466462 944987457 /nfs/dbraw/zinc/98/74/57/944987457.db2.gz SSKGOEMWBSYRKB-UHFFFAOYSA-N 1 1 305.294 0.840 20 5 DCBDMO C[C@@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC001253411498 946119203 /nfs/dbraw/zinc/11/92/03/946119203.db2.gz IXNALSDFXYSIAR-JTQLQIEISA-N 1 1 308.338 0.355 20 5 DCBDMO [NH3+][C@@H]1COC[C@H]1NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254466581 946397420 /nfs/dbraw/zinc/39/74/20/946397420.db2.gz FOBZANDXAJWESO-HUUCEWRRSA-N 1 1 306.366 0.879 20 5 DCBDMO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3C[C@H](O)[C@@H](CO)C3)CC2)cc1 ZINC001254474451 946400269 /nfs/dbraw/zinc/40/02/69/946400269.db2.gz QPZIBAGPRPONEB-WBMJQRKESA-N 1 1 321.377 0.849 20 5 DCBDMO COC(=O)[C@H]1C[N@H+](C)CCN1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254605406 946415207 /nfs/dbraw/zinc/41/52/07/946415207.db2.gz BVYTUAHQOBKBEJ-HUUCEWRRSA-N 1 1 319.361 0.851 20 5 DCBDMO COC(=O)[C@H]1C[N@@H+](C)CCN1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254605406 946415210 /nfs/dbraw/zinc/41/52/10/946415210.db2.gz BVYTUAHQOBKBEJ-HUUCEWRRSA-N 1 1 319.361 0.851 20 5 DCBDMO COc1cc(N2CCC([NH2+]C[C@@H](O)CN)CC2)ccc1[N+](=O)[O-] ZINC001256084321 946584574 /nfs/dbraw/zinc/58/45/74/946584574.db2.gz ZITNHAQRACTQEY-ZDUSSCGKSA-N 1 1 324.381 0.481 20 5 DCBDMO Cc1cn(C)nc1C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001179525759 947854436 /nfs/dbraw/zinc/85/44/36/947854436.db2.gz STAQYXOLCXVLHQ-HUUCEWRRSA-N 1 1 320.349 0.821 20 5 DCBDMO CC[N@@H+](CCCNC(=O)C(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001265131163 949342444 /nfs/dbraw/zinc/34/24/44/949342444.db2.gz PAAQXSRTQWKIRB-UHFFFAOYSA-N 1 1 308.338 0.408 20 5 DCBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001330150403 950150129 /nfs/dbraw/zinc/15/01/29/950150129.db2.gz TWSRTEXTUIXUCI-LLVKDONJSA-N 1 1 308.338 0.433 20 5 DCBDMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331930432 951395169 /nfs/dbraw/zinc/39/51/69/951395169.db2.gz FYBKRFVLQDPWJK-DZGCQCFKSA-N 1 1 305.334 0.892 20 5 DCBDMO Cc1nc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)ncc1[N+](=O)[O-] ZINC001333741643 952145016 /nfs/dbraw/zinc/14/50/16/952145016.db2.gz SSEZQDFOKAIGST-LBPRGKRZSA-N 1 1 307.354 0.729 20 5 DCBDMO COCc1cc([N+](=O)[O-])ccc1NCC(=O)N1CC[NH+](C)CC1 ZINC001337009139 952795109 /nfs/dbraw/zinc/79/51/09/952795109.db2.gz NQZDIVPJKSISLS-UHFFFAOYSA-N 1 1 322.365 0.927 20 5 DCBDMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(C[N+](=O)[O-])n2C)C[C@H](C)O1 ZINC001338058699 952957108 /nfs/dbraw/zinc/95/71/08/952957108.db2.gz DNBGNTHZGPKSIM-PHIMTYICSA-N 1 1 312.374 0.137 20 5 DCBDMO C[C@@H]1C[N@H+](CCN(C)c2nnc(C[N+](=O)[O-])n2C)C[C@H](C)O1 ZINC001338058699 952957111 /nfs/dbraw/zinc/95/71/11/952957111.db2.gz DNBGNTHZGPKSIM-PHIMTYICSA-N 1 1 312.374 0.137 20 5 DCBDMO CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001339467636 953096142 /nfs/dbraw/zinc/09/61/42/953096142.db2.gz PDWIDOMXHQBTHA-NWDGAFQWSA-N 1 1 324.385 0.547 20 5 DCBDMO CCOCC[NH+]1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2C)CC1 ZINC001339540891 953101429 /nfs/dbraw/zinc/10/14/29/953101429.db2.gz FNZZCUSDDBKGRA-LLVKDONJSA-N 1 1 312.374 0.311 20 5 DCBDMO COCC[NH+](CCOC)C1CN(c2ncc([N+](=O)[O-])s2)C1 ZINC001339756750 953117158 /nfs/dbraw/zinc/11/71/58/953117158.db2.gz OQBYUFLKAXXRDG-UHFFFAOYSA-N 1 1 316.383 0.835 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC001340299474 953159485 /nfs/dbraw/zinc/15/94/85/953159485.db2.gz PIGXIRSLLXHBBA-QMMMGPOBSA-N 1 1 303.269 0.165 20 5 DCBDMO COc1ccc(NC(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)cc1[N+](=O)[O-] ZINC001346532698 953913299 /nfs/dbraw/zinc/91/32/99/953913299.db2.gz USJAFPACSCAAHQ-GWCFXTLKSA-N 1 1 320.349 0.930 20 5 DCBDMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001346567639 953920902 /nfs/dbraw/zinc/92/09/02/953920902.db2.gz YSWUQINAUIJPHZ-NHYWBVRUSA-N 1 1 316.361 0.825 20 5 DCBDMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001347519069 954109495 /nfs/dbraw/zinc/10/94/95/954109495.db2.gz ZSGVBQIULIQOHI-SMDDNHRTSA-N 1 1 304.350 0.599 20 5 DCBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001304207920 960084241 /nfs/dbraw/zinc/08/42/41/960084241.db2.gz HQJJUFIPUQCMBO-UHFFFAOYSA-N 1 1 321.333 0.806 20 5 DCBDMO CN(C)C(=O)C[N@@H+]1CCCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC001308078405 960167308 /nfs/dbraw/zinc/16/73/08/960167308.db2.gz OQDXEHOJZNVYAF-UHFFFAOYSA-N 1 1 321.381 0.586 20 5 DCBDMO CN(C)C(=O)C[N@H+]1CCCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC001308078405 960167315 /nfs/dbraw/zinc/16/73/15/960167315.db2.gz OQDXEHOJZNVYAF-UHFFFAOYSA-N 1 1 321.381 0.586 20 5 DCBDMO CN1CCCC[C@@H]1CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001464733596 1015943543 /nfs/dbraw/zinc/94/35/43/1015943543.db2.gz WRLYPYKJKGICIP-SNVBAGLBSA-N 1 1 314.367 0.752 20 5 DCBDMO Cc1n[nH]c(C(=O)NC[C@H]2CCC[N@H+]2CCCO)c1[N+](=O)[O-] ZINC001468315820 1016242629 /nfs/dbraw/zinc/24/26/29/1016242629.db2.gz GWLNZSYATFNQED-SNVBAGLBSA-N 1 1 311.342 0.203 20 5 DCBDMO O=c1[nH]ccc(NCC[N@@H+]2CCC3(C2)OCCO3)c1[N+](=O)[O-] ZINC001472883144 1016866239 /nfs/dbraw/zinc/86/62/39/1016866239.db2.gz HLFKUERNIMRYSO-UHFFFAOYSA-N 1 1 310.310 0.556 20 5 DCBDMO O=c1[nH]ccc(NCC[N@H+]2CCC3(C2)OCCO3)c1[N+](=O)[O-] ZINC001472883144 1016866252 /nfs/dbraw/zinc/86/62/52/1016866252.db2.gz HLFKUERNIMRYSO-UHFFFAOYSA-N 1 1 310.310 0.556 20 5 DCBDMO Cn1cc(C[N@@H+]2CC[C@H](c3cc(=O)[nH]c(=O)[nH]3)C2)c([N+](=O)[O-])n1 ZINC001473602644 1016955508 /nfs/dbraw/zinc/95/55/08/1016955508.db2.gz TYBZAXASKKVZOF-QMMMGPOBSA-N 1 1 320.309 0.519 20 5 DCBDMO Cn1cc(C[N@H+]2CC[C@H](c3cc(=O)[nH]c(=O)[nH]3)C2)c([N+](=O)[O-])n1 ZINC001473602644 1016955518 /nfs/dbraw/zinc/95/55/18/1016955518.db2.gz TYBZAXASKKVZOF-QMMMGPOBSA-N 1 1 320.309 0.519 20 5 DCBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001444544594 1011055442 /nfs/dbraw/zinc/05/54/42/1011055442.db2.gz CLITVRMHCQXRES-KOLCDFICSA-N 1 1 307.354 0.984 20 5 DCBDMO COC(=O)[C@@H]([NH2+]CCCNc1c([N+](=O)[O-])cnn1C)C(C)C ZINC001559198349 1012408345 /nfs/dbraw/zinc/40/83/45/1012408345.db2.gz LRYYYBANKZOXJI-NSHDSACASA-N 1 1 313.358 0.918 20 5 DCBDMO CN(C)C(=O)C[N@@H+]1CCCN(c2cccnc2[N+](=O)[O-])CC1 ZINC001559280324 1012414073 /nfs/dbraw/zinc/41/40/73/1012414073.db2.gz BFZFUWZLUFWIOJ-UHFFFAOYSA-N 1 1 307.354 0.590 20 5 DCBDMO CN(C)C(=O)C[N@H+]1CCCN(c2cccnc2[N+](=O)[O-])CC1 ZINC001559280324 1012414078 /nfs/dbraw/zinc/41/40/78/1012414078.db2.gz BFZFUWZLUFWIOJ-UHFFFAOYSA-N 1 1 307.354 0.590 20 5 DCBDMO O=[N+]([O-])c1c(NC[C@]2(CO)COCC[NH2+]2)ccc2cnccc21 ZINC001559270891 1012414257 /nfs/dbraw/zinc/41/42/57/1012414257.db2.gz KDMLTVUNNZCLFO-HNNXBMFYSA-N 1 1 318.333 0.906 20 5 DCBDMO C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC001559284829 1012415584 /nfs/dbraw/zinc/41/55/84/1012415584.db2.gz RUXJKWCXSCIAGZ-HZMBPMFUSA-N 1 1 321.381 0.740 20 5 DCBDMO C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001559284829 1012415596 /nfs/dbraw/zinc/41/55/96/1012415596.db2.gz RUXJKWCXSCIAGZ-HZMBPMFUSA-N 1 1 321.381 0.740 20 5 DCBDMO C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@@H]1CN(C)CC[N@H+]1C ZINC001559284829 1012415609 /nfs/dbraw/zinc/41/56/09/1012415609.db2.gz RUXJKWCXSCIAGZ-HZMBPMFUSA-N 1 1 321.381 0.740 20 5 DCBDMO O=C(CC[N@@H+]1CC[C@@H](O)[C@@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001560074345 1012440021 /nfs/dbraw/zinc/44/00/21/1012440021.db2.gz RHKPKOBTOVWJDY-OLZOCXBDSA-N 1 1 309.322 0.351 20 5 DCBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001543837618 1012527940 /nfs/dbraw/zinc/52/79/40/1012527940.db2.gz NEJOBQYCCPIVDM-SNVBAGLBSA-N 1 1 309.326 0.023 20 5 DCBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001543837617 1012528637 /nfs/dbraw/zinc/52/86/37/1012528637.db2.gz NEJOBQYCCPIVDM-JTQLQIEISA-N 1 1 309.326 0.023 20 5 DCBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001543969444 1012529798 /nfs/dbraw/zinc/52/97/98/1012529798.db2.gz QQXWRROZJPJJGQ-SNVBAGLBSA-N 1 1 307.354 0.986 20 5 DCBDMO Cn1cc(C[NH+]2CCC3(CCNC(=O)O3)CC2)c([N+](=O)[O-])n1 ZINC001460868681 1012981294 /nfs/dbraw/zinc/98/12/94/1012981294.db2.gz CGBGFEFXVQAHAA-UHFFFAOYSA-N 1 1 309.326 0.793 20 5 DCBDMO Cn1cc(C[NH+]2CCC([C@H]3COC(=O)N3)CC2)c([N+](=O)[O-])n1 ZINC001460877647 1012981745 /nfs/dbraw/zinc/98/17/45/1012981745.db2.gz ZYQHDQSNQNMKOB-LLVKDONJSA-N 1 1 309.326 0.649 20 5 DCBDMO CC(C)C[NH+]1CCN(CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001479920195 1017977022 /nfs/dbraw/zinc/97/70/22/1017977022.db2.gz PUIURCLDYHNWGE-ZIAGYGMSSA-N 1 1 312.414 0.432 20 5 DCBDMO CC[C@@]1(CO)CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000187519021 529552445 /nfs/dbraw/zinc/55/24/45/529552445.db2.gz PYIFDUICIIXYCZ-UONOGXRCSA-N 1 1 312.370 0.637 20 5 DCBDMO CNC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181572089 199320506 /nfs/dbraw/zinc/32/05/06/199320506.db2.gz GDJDVIVXKMTYAV-WCQYABFASA-N 1 1 323.349 0.545 20 5 DCBDMO CNC(=O)[C@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181572089 199320509 /nfs/dbraw/zinc/32/05/09/199320509.db2.gz GDJDVIVXKMTYAV-WCQYABFASA-N 1 1 323.349 0.545 20 5 DCBDMO C[NH+](C)CCn1ccc(=NC(=O)c2ccnc(N)c2[N+](=O)[O-])[nH]1 ZINC000537246025 412516056 /nfs/dbraw/zinc/51/60/56/412516056.db2.gz CXRJFYQGRLYXLN-UHFFFAOYSA-N 1 1 319.325 0.004 20 5 DCBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000150735852 186061561 /nfs/dbraw/zinc/06/15/61/186061561.db2.gz CTHQVZNZUYNHSP-LLVKDONJSA-N 1 1 322.365 0.996 20 5 DCBDMO Cc1c(CC(=O)N2CC[NH+](C[C@@H](C)O)CC2)cccc1[N+](=O)[O-] ZINC000186848822 237328152 /nfs/dbraw/zinc/32/81/52/237328152.db2.gz YGTFAKMQBHSLAE-GFCCVEGCSA-N 1 1 321.377 0.971 20 5 DCBDMO CC[C@@H](C)[N@H+](CC(=O)OC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000281527734 216362884 /nfs/dbraw/zinc/36/28/84/216362884.db2.gz ZUJFIQGISVKLRE-ZYHUDNBSSA-N 1 1 314.342 0.426 20 5 DCBDMO C[NH+](C)C[C@@H](O)CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566233503 291285774 /nfs/dbraw/zinc/28/57/74/291285774.db2.gz LGMFAYSYKJBYPV-NSHDSACASA-N 1 1 310.354 0.436 20 5 DCBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000489918126 241101588 /nfs/dbraw/zinc/10/15/88/241101588.db2.gz MHLDLOPTWXWCSE-SNVBAGLBSA-N 1 1 308.342 0.327 20 5 DCBDMO [NH3+]CC(F)(F)CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000275165140 212164074 /nfs/dbraw/zinc/16/40/74/212164074.db2.gz QLYXWYHBDMKGHI-UHFFFAOYSA-N 1 1 307.228 0.823 20 5 DCBDMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282512910 217053233 /nfs/dbraw/zinc/05/32/33/217053233.db2.gz SFLXYRPRKPOOIT-JTQLQIEISA-N 1 1 308.338 0.913 20 5 DCBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000064311402 184293690 /nfs/dbraw/zinc/29/36/90/184293690.db2.gz LPUDRIUAWZXLDG-LLVKDONJSA-N 1 1 324.385 0.813 20 5 DCBDMO C[N@H+](CCOCCO)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000337445880 252858400 /nfs/dbraw/zinc/85/84/00/252858400.db2.gz LKOPTZRBRXGYPW-CQSZACIVSA-N 1 1 323.349 0.641 20 5 DCBDMO C[N@@H+](CCOCCO)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000337445880 252858402 /nfs/dbraw/zinc/85/84/02/252858402.db2.gz LKOPTZRBRXGYPW-CQSZACIVSA-N 1 1 323.349 0.641 20 5 DCBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000338959612 253015191 /nfs/dbraw/zinc/01/51/91/253015191.db2.gz FXVTUOLHHPDLMQ-SNVBAGLBSA-N 1 1 324.337 0.505 20 5 DCBDMO C[N@@H+]1CCC[C@@]2(CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339440988 253085257 /nfs/dbraw/zinc/08/52/57/253085257.db2.gz RXODBNFEBHVJSN-HUUCEWRRSA-N 1 1 323.397 0.570 20 5 DCBDMO C[N@H+]1CCC[C@@]2(CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339440988 253085260 /nfs/dbraw/zinc/08/52/60/253085260.db2.gz RXODBNFEBHVJSN-HUUCEWRRSA-N 1 1 323.397 0.570 20 5 DCBDMO CN1CCC[C@@]2(CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339440988 253085262 /nfs/dbraw/zinc/08/52/62/253085262.db2.gz RXODBNFEBHVJSN-HUUCEWRRSA-N 1 1 323.397 0.570 20 5 DCBDMO CN1CCC[C@@]2(CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339440988 253085264 /nfs/dbraw/zinc/08/52/64/253085264.db2.gz RXODBNFEBHVJSN-HUUCEWRRSA-N 1 1 323.397 0.570 20 5 DCBDMO CC[N@@H+](C)CCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000272892395 210280859 /nfs/dbraw/zinc/28/08/59/210280859.db2.gz JXGVEDGKSAGYDN-UHFFFAOYSA-N 1 1 302.356 0.606 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCC(N)=O ZINC000286522259 219034904 /nfs/dbraw/zinc/03/49/04/219034904.db2.gz QUNDXRXSCCVLFI-UHFFFAOYSA-N 1 1 324.337 0.739 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000347304954 254146382 /nfs/dbraw/zinc/14/63/82/254146382.db2.gz POHUSHISHAYPPO-ZDUSSCGKSA-N 1 1 312.301 0.922 20 5 DCBDMO C[N@@H+](CC(=O)NC1CC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000024241184 395692897 /nfs/dbraw/zinc/69/28/97/395692897.db2.gz KWBJWHDUUCVVPI-ZDUSSCGKSA-N 1 1 323.349 0.545 20 5 DCBDMO C[N@H+](CC(=O)NC1CC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000024241184 395692898 /nfs/dbraw/zinc/69/28/98/395692898.db2.gz KWBJWHDUUCVVPI-ZDUSSCGKSA-N 1 1 323.349 0.545 20 5 DCBDMO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH+](CCO)CC1 ZINC000087083938 395705923 /nfs/dbraw/zinc/70/59/23/395705923.db2.gz XCYVIHKPALBDME-UHFFFAOYSA-N 1 1 318.333 0.826 20 5 DCBDMO CCN1CC[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000042773484 395748582 /nfs/dbraw/zinc/74/85/82/395748582.db2.gz VCLIWPIFIWCCQB-UHFFFAOYSA-N 1 1 310.354 0.945 20 5 DCBDMO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000193597391 395774005 /nfs/dbraw/zinc/77/40/05/395774005.db2.gz XCXQKZISLCOEHM-PRHODGIISA-N 1 1 306.322 0.308 20 5 DCBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000114194338 395833001 /nfs/dbraw/zinc/83/30/01/395833001.db2.gz JQCYWHPHPYDLFV-JTQLQIEISA-N 1 1 309.322 0.999 20 5 DCBDMO CN1CC[NH+](CCCNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000272482649 395894387 /nfs/dbraw/zinc/89/43/87/395894387.db2.gz QVDORDPNKUKXIJ-UHFFFAOYSA-N 1 1 321.381 0.544 20 5 DCBDMO C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000124002811 395899263 /nfs/dbraw/zinc/89/92/63/395899263.db2.gz SZWQHXVHMPUSJQ-BXUZGUMPSA-N 1 1 322.365 0.842 20 5 DCBDMO C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000124002811 395899268 /nfs/dbraw/zinc/89/92/68/395899268.db2.gz SZWQHXVHMPUSJQ-BXUZGUMPSA-N 1 1 322.365 0.842 20 5 DCBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000065910496 395998940 /nfs/dbraw/zinc/99/89/40/395998940.db2.gz FUTWHLVHVLXBJQ-UHFFFAOYSA-N 1 1 324.385 0.909 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000246888777 395960165 /nfs/dbraw/zinc/96/01/65/395960165.db2.gz VDOSRDVHAWEYHD-IACUBPJLSA-N 1 1 310.354 0.653 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000247019314 395964612 /nfs/dbraw/zinc/96/46/12/395964612.db2.gz OYLNKPSOHHEUAC-WCQYABFASA-N 1 1 320.353 0.755 20 5 DCBDMO NC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248470405 395989018 /nfs/dbraw/zinc/98/90/18/395989018.db2.gz VAKAYXCMWINYNK-PWSUYJOCSA-N 1 1 309.322 0.284 20 5 DCBDMO NC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248470405 395989021 /nfs/dbraw/zinc/98/90/21/395989021.db2.gz VAKAYXCMWINYNK-PWSUYJOCSA-N 1 1 309.322 0.284 20 5 DCBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000261814369 396068972 /nfs/dbraw/zinc/06/89/72/396068972.db2.gz XGJLWTPJVMLQQC-SECBINFHSA-N 1 1 305.294 0.708 20 5 DCBDMO CC(=O)NCCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000164717212 396087864 /nfs/dbraw/zinc/08/78/64/396087864.db2.gz ZWNWKKRSXRROEP-UHFFFAOYSA-N 1 1 307.354 0.638 20 5 DCBDMO CCOC(=O)N1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176221714 396151702 /nfs/dbraw/zinc/15/17/02/396151702.db2.gz FHAVOAJSLLZOMI-UHFFFAOYSA-N 1 1 311.342 0.956 20 5 DCBDMO CCOC(=O)N1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176221714 396151706 /nfs/dbraw/zinc/15/17/06/396151706.db2.gz FHAVOAJSLLZOMI-UHFFFAOYSA-N 1 1 311.342 0.956 20 5 DCBDMO C[C@@H]1SCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000075749086 396186517 /nfs/dbraw/zinc/18/65/17/396186517.db2.gz CZVSPKSRGVHIHU-NHCYSSNCSA-N 1 1 300.384 0.978 20 5 DCBDMO Cc1nccc(N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000183790267 396275251 /nfs/dbraw/zinc/27/52/51/396275251.db2.gz SLUKMVBHCRPIAF-UHFFFAOYSA-N 1 1 317.353 0.712 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(O)(C(N)=O)CC1 ZINC000284414168 396345556 /nfs/dbraw/zinc/34/55/56/396345556.db2.gz XKWFYGDBAURANT-UHFFFAOYSA-N 1 1 309.322 0.416 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@H+](C)CCN2C)n1 ZINC000287469605 396402536 /nfs/dbraw/zinc/40/25/36/396402536.db2.gz SICMQPZZRRSQAZ-SNVBAGLBSA-N 1 1 323.353 0.434 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+](C)CCN2C)n1 ZINC000287469605 396402538 /nfs/dbraw/zinc/40/25/38/396402538.db2.gz SICMQPZZRRSQAZ-SNVBAGLBSA-N 1 1 323.353 0.434 20 5 DCBDMO O=C1NC(=O)[C@@]2(CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000192659015 396434518 /nfs/dbraw/zinc/43/45/18/396434518.db2.gz OCMAJCRNNBFOJD-HNNXBMFYSA-N 1 1 318.333 0.811 20 5 DCBDMO Cc1c(CC(=O)NC[C@@H]2C[N@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000269744170 396442030 /nfs/dbraw/zinc/44/20/30/396442030.db2.gz WWQBSBPWNMXQDI-CQSZACIVSA-N 1 1 320.393 0.808 20 5 DCBDMO COc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000507309470 396496638 /nfs/dbraw/zinc/49/66/38/396496638.db2.gz CLVPKEDPJUHPBB-SECBINFHSA-N 1 1 315.351 0.586 20 5 DCBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193412231 396450532 /nfs/dbraw/zinc/45/05/32/396450532.db2.gz BLPATOMWMAZVLK-VIFPVBQESA-N 1 1 306.322 0.910 20 5 DCBDMO CN(C)CC[N@@H+](C)CCCN(C)c1ncc([N+](=O)[O-])c(N)n1 ZINC000289062212 396454236 /nfs/dbraw/zinc/45/42/36/396454236.db2.gz MYYPPUSCVFPKLA-UHFFFAOYSA-N 1 1 311.390 0.287 20 5 DCBDMO CN(CCCN(C)c1ncc([N+](=O)[O-])c(N)n1)CC[NH+](C)C ZINC000289062212 396454237 /nfs/dbraw/zinc/45/42/37/396454237.db2.gz MYYPPUSCVFPKLA-UHFFFAOYSA-N 1 1 311.390 0.287 20 5 DCBDMO CC[NH+]1CCN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC1 ZINC000585702021 396648972 /nfs/dbraw/zinc/64/89/72/396648972.db2.gz NFUJVVFBOAFJFH-UHFFFAOYSA-N 1 1 319.365 0.927 20 5 DCBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)CN1CC[NH+](C)CC1 ZINC000586865656 396669939 /nfs/dbraw/zinc/66/99/39/396669939.db2.gz ILEDDZSZCTVAQF-UHFFFAOYSA-N 1 1 320.393 0.843 20 5 DCBDMO C[NH+]1CCN(CCCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596063931 396713050 /nfs/dbraw/zinc/71/30/50/396713050.db2.gz ZPWUFUVAWADOPJ-UHFFFAOYSA-N 1 1 321.381 0.743 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000304309265 396730361 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O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](CCO)CC1 ZINC000593404559 397362666 /nfs/dbraw/zinc/36/26/66/397362666.db2.gz YCKHAXGHQBJNRT-UHFFFAOYSA-N 1 1 311.313 0.413 20 5 DCBDMO C[N@H+]1CCCC[C@@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000599007585 397322422 /nfs/dbraw/zinc/32/24/22/397322422.db2.gz QRELEMFTLDFKPI-LBPRGKRZSA-N 1 1 324.385 0.822 20 5 DCBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593854818 397455941 /nfs/dbraw/zinc/45/59/41/397455941.db2.gz DSBLTHIMVNODOH-CYBMUJFWSA-N 1 1 323.324 0.554 20 5 DCBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593854818 397455947 /nfs/dbraw/zinc/45/59/47/397455947.db2.gz DSBLTHIMVNODOH-CYBMUJFWSA-N 1 1 323.324 0.554 20 5 DCBDMO O=C(COc1ccccc1[N+](=O)[O-])N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593856438 397457262 /nfs/dbraw/zinc/45/72/62/397457262.db2.gz WTRMJFFSDCZEOW-GFCCVEGCSA-N 1 1 321.333 0.251 20 5 DCBDMO O=C(COc1ccccc1[N+](=O)[O-])N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593856438 397457267 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308.338 0.214 20 5 DCBDMO COc1cc([N+](=O)[O-])cn(CCC[NH+]2CCN(C)CC2)c1=O ZINC000603358981 397601002 /nfs/dbraw/zinc/60/10/02/397601002.db2.gz LAIOFICZDMFVCV-UHFFFAOYSA-N 1 1 310.354 0.403 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000609571095 397782612 /nfs/dbraw/zinc/78/26/12/397782612.db2.gz YJCMSFHPTMZFLT-NSHDSACASA-N 1 1 308.386 0.909 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000609571095 397782614 /nfs/dbraw/zinc/78/26/14/397782614.db2.gz YJCMSFHPTMZFLT-NSHDSACASA-N 1 1 308.386 0.909 20 5 DCBDMO O=[N+]([O-])c1ccc(OCCC[NH+]2CCN(CCO)CC2)cc1 ZINC000055897529 158022622 /nfs/dbraw/zinc/02/26/22/158022622.db2.gz GQBZRUFKFBQMIU-UHFFFAOYSA-N 1 1 309.366 0.974 20 5 DCBDMO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](OCCO)C2)c([N+](=O)[O-])c1 ZINC000172299160 158393252 /nfs/dbraw/zinc/39/32/52/158393252.db2.gz QEBJADYJYQDUSC-CYBMUJFWSA-N 1 1 323.349 0.667 20 5 DCBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H](OCCO)C2)c([N+](=O)[O-])c1 ZINC000172299160 158393253 /nfs/dbraw/zinc/39/32/53/158393253.db2.gz QEBJADYJYQDUSC-CYBMUJFWSA-N 1 1 323.349 0.667 20 5 DCBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178919573 158466121 /nfs/dbraw/zinc/46/61/21/158466121.db2.gz KXQBOAATHOGATD-QMMMGPOBSA-N 1 1 303.315 0.764 20 5 DCBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000323071824 159012635 /nfs/dbraw/zinc/01/26/35/159012635.db2.gz ONDBGLYCFMFMQU-GXSJLCMTSA-N 1 1 321.337 0.165 20 5 DCBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC[C@@H]21 ZINC000408350115 160089870 /nfs/dbraw/zinc/08/98/70/160089870.db2.gz XYBLTODZLJDTKB-MNOVXSKESA-N 1 1 308.342 0.129 20 5 DCBDMO C[NH+](C)[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccco1 ZINC000126751315 286973959 /nfs/dbraw/zinc/97/39/59/286973959.db2.gz JRBGIARMXKYLLI-SNVBAGLBSA-N 1 1 307.310 0.803 20 5 DCBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000331617282 415153231 /nfs/dbraw/zinc/15/32/31/415153231.db2.gz MYFKXLAEKDZNJN-MGPQQGTHSA-N 1 1 310.354 0.653 20 5 DCBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000331617282 415153237 /nfs/dbraw/zinc/15/32/37/415153237.db2.gz MYFKXLAEKDZNJN-MGPQQGTHSA-N 1 1 310.354 0.653 20 5 DCBDMO O=C(C[N@H+]1CCC[C@H]1CO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000265573581 415126970 /nfs/dbraw/zinc/12/69/70/415126970.db2.gz XGEZXZOAKVBPTH-ZDUSSCGKSA-N 1 1 305.334 0.941 20 5 DCBDMO O=C(C[N@@H+]1CCC[C@H]1CO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000265573581 415126981 /nfs/dbraw/zinc/12/69/81/415126981.db2.gz XGEZXZOAKVBPTH-ZDUSSCGKSA-N 1 1 305.334 0.941 20 5 DCBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC000332132022 415259957 /nfs/dbraw/zinc/25/99/57/415259957.db2.gz ZJPORMTXQBBOHX-LLVKDONJSA-N 1 1 323.353 0.123 20 5 DCBDMO C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1CCO ZINC000332239006 415306623 /nfs/dbraw/zinc/30/66/23/415306623.db2.gz OTJYPKIYHBFZRY-NSHDSACASA-N 1 1 319.365 0.970 20 5 DCBDMO C[C@@H]1C[C@H](N2CCCC2)C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352814854 415332613 /nfs/dbraw/zinc/33/26/13/415332613.db2.gz KCMQXOMBSNCVKQ-IPYPFGDCSA-N 1 1 323.397 0.711 20 5 DCBDMO C[C@@H]1C[C@H](N2CCCC2)C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352814854 415332622 /nfs/dbraw/zinc/33/26/22/415332622.db2.gz KCMQXOMBSNCVKQ-IPYPFGDCSA-N 1 1 323.397 0.711 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCO)C[C@@H](C)O ZINC000289816486 415720530 /nfs/dbraw/zinc/72/05/30/415720530.db2.gz NXHXWCMKNRUYRB-LLVKDONJSA-N 1 1 311.338 0.517 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCO)C[C@@H](C)O ZINC000289816486 415720538 /nfs/dbraw/zinc/72/05/38/415720538.db2.gz NXHXWCMKNRUYRB-LLVKDONJSA-N 1 1 311.338 0.517 20 5 DCBDMO C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@H+](C2CCC2)C1 ZINC000344693344 415972371 /nfs/dbraw/zinc/97/23/71/415972371.db2.gz JDOAECYZOFEQBC-LLVKDONJSA-N 1 1 322.369 0.519 20 5 DCBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@@H](C)C1 ZINC000356899768 416002566 /nfs/dbraw/zinc/00/25/66/416002566.db2.gz DZTIUNKHARAZDR-WDEREUQCSA-N 1 1 310.354 0.460 20 5 DCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@@H](C)C1 ZINC000356899768 416002570 /nfs/dbraw/zinc/00/25/70/416002570.db2.gz DZTIUNKHARAZDR-WDEREUQCSA-N 1 1 310.354 0.460 20 5 DCBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000345967333 416176903 /nfs/dbraw/zinc/17/69/03/416176903.db2.gz SAVVFXMKRWJVOR-NWDGAFQWSA-N 1 1 322.365 0.698 20 5 DCBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000330636260 416219350 /nfs/dbraw/zinc/21/93/50/416219350.db2.gz FCGHJGIKXKUOIS-SNVBAGLBSA-N 1 1 311.342 0.087 20 5 DCBDMO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@H+]1C[C@H](C)O ZINC000330678035 416228799 /nfs/dbraw/zinc/22/87/99/416228799.db2.gz BXFNGARDHVRUGA-QWRGUYRKSA-N 1 1 310.354 0.840 20 5 DCBDMO Cc1c(CNC(=O)NC[C@]2(O)CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000359553206 416350275 /nfs/dbraw/zinc/35/02/75/416350275.db2.gz RGKFEHKFIKXXTE-OAHLLOKOSA-N 1 1 322.365 0.769 20 5 DCBDMO O=C(NC[C@H]1[NH2+]CCc2ccccc21)c1n[nH]cc1[N+](=O)[O-] ZINC000423668999 416535786 /nfs/dbraw/zinc/53/57/86/416535786.db2.gz KVDVOLBEPMEUQD-LLVKDONJSA-N 1 1 301.306 0.935 20 5 DCBDMO Nc1nccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000594236401 416558869 /nfs/dbraw/zinc/55/88/69/416558869.db2.gz NVNIUWZNYFMLBE-VHSXEESVSA-N 1 1 305.338 0.929 20 5 DCBDMO CNc1nccc(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000584359492 416513554 /nfs/dbraw/zinc/51/35/54/416513554.db2.gz DTIHNWZZNWMTFZ-NXEZZACHSA-N 1 1 319.365 1.387 20 5 DCBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC000366448461 416626021 /nfs/dbraw/zinc/62/60/21/416626021.db2.gz VBMQHXKFAHDCRH-SPWCGHHHSA-N 1 1 308.334 0.505 20 5 DCBDMO CC1(C)CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000614932798 416728957 /nfs/dbraw/zinc/72/89/57/416728957.db2.gz BDVATFCPQVANFU-UHFFFAOYSA-N 1 1 323.353 0.332 20 5 DCBDMO CC1(C)CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000614932798 416728959 /nfs/dbraw/zinc/72/89/59/416728959.db2.gz BDVATFCPQVANFU-UHFFFAOYSA-N 1 1 323.353 0.332 20 5 DCBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2ccnc(NC)c2[N+](=O)[O-])C1 ZINC000563374689 416878360 /nfs/dbraw/zinc/87/83/60/416878360.db2.gz QZQYAEMRBAFNGG-LLVKDONJSA-N 1 1 321.381 1.493 20 5 DCBDMO CCn1nccc1C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000429714451 416993832 /nfs/dbraw/zinc/99/38/32/416993832.db2.gz GJKGJMXCSWJATH-ZDUSSCGKSA-N 1 1 308.342 0.501 20 5 DCBDMO CCn1nccc1C[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000429714451 416993840 /nfs/dbraw/zinc/99/38/40/416993840.db2.gz GJKGJMXCSWJATH-ZDUSSCGKSA-N 1 1 308.342 0.501 20 5 DCBDMO CCn1cc(C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000524717493 417113996 /nfs/dbraw/zinc/11/39/96/417113996.db2.gz NCFSJTUOKGCPAE-CYBMUJFWSA-N 1 1 308.342 0.501 20 5 DCBDMO CCn1cc(C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000524717494 417114267 /nfs/dbraw/zinc/11/42/67/417114267.db2.gz NCFSJTUOKGCPAE-ZDUSSCGKSA-N 1 1 308.342 0.501 20 5 DCBDMO O=C1NC(=O)[C@@H]2C[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000449522517 417149158 /nfs/dbraw/zinc/14/91/58/417149158.db2.gz LFIXRFFVXWOBIU-BFJGBIGKSA-N 1 1 301.302 0.812 20 5 DCBDMO CC1(C)C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2COC[C@@H]21 ZINC000452111722 417453144 /nfs/dbraw/zinc/45/31/44/417453144.db2.gz VNFRUQUIFKBJAX-FRRDWIJNSA-N 1 1 310.354 0.509 20 5 DCBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])C2)C1 ZINC000572854685 417462123 /nfs/dbraw/zinc/46/21/23/417462123.db2.gz KDVNYOWKTMBPNG-CQSZACIVSA-N 1 1 305.338 0.740 20 5 DCBDMO CC[N@H+]1CCCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 ZINC000575135790 417514869 /nfs/dbraw/zinc/51/48/69/417514869.db2.gz LVCXEZIVEPMBAC-UHFFFAOYSA-N 1 1 307.354 1.199 20 5 DCBDMO C[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000455035853 417589223 /nfs/dbraw/zinc/58/92/23/417589223.db2.gz PKGQWZDKBLZAAA-PHIMTYICSA-N 1 1 323.353 0.331 20 5 DCBDMO C[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000455035853 417589228 /nfs/dbraw/zinc/58/92/28/417589228.db2.gz PKGQWZDKBLZAAA-PHIMTYICSA-N 1 1 323.353 0.331 20 5 DCBDMO CNc1nc(C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000456164830 417628226 /nfs/dbraw/zinc/62/82/26/417628226.db2.gz KPNTUQAOXDQSGV-JOYOIKCWSA-N 1 1 305.338 0.808 20 5 DCBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H]1C ZINC000354421204 261217485 /nfs/dbraw/zinc/21/74/85/261217485.db2.gz FFZXSRDNIZCHBE-MNOVXSKESA-N 1 1 310.358 0.518 20 5 DCBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000354439128 261219137 /nfs/dbraw/zinc/21/91/37/261219137.db2.gz FOZQJJRSKUSRLN-NWDGAFQWSA-N 1 1 320.349 0.500 20 5 DCBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000354944043 261290283 /nfs/dbraw/zinc/29/02/83/261290283.db2.gz USUMIXFMTCTTBV-SNVBAGLBSA-N 1 1 323.353 0.240 20 5 DCBDMO C[C@H](O)C[N@@H+](C)C1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000355934546 261376893 /nfs/dbraw/zinc/37/68/93/261376893.db2.gz SOFTUAQHHZRPAD-NSHDSACASA-N 1 1 311.386 0.605 20 5 DCBDMO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000420010074 271350824 /nfs/dbraw/zinc/35/08/24/271350824.db2.gz GILSLNWUDIZFIT-CQSZACIVSA-N 1 1 311.338 0.733 20 5 DCBDMO COCCNC(=O)C1([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000459760910 272007408 /nfs/dbraw/zinc/00/74/08/272007408.db2.gz SUDJNPZEYMJJEL-UHFFFAOYSA-N 1 1 323.349 0.988 20 5 DCBDMO O=C1OCCN1C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000495870155 272279153 /nfs/dbraw/zinc/27/91/53/272279153.db2.gz SUDHTIJJCWINPK-LLVKDONJSA-N 1 1 309.326 0.565 20 5 DCBDMO C[C@@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000343023126 274365229 /nfs/dbraw/zinc/36/52/29/274365229.db2.gz BDMOVRRQSAKJLU-SNVBAGLBSA-N 1 1 308.338 0.197 20 5 DCBDMO C[C@@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+]1CCO ZINC000343023126 274365230 /nfs/dbraw/zinc/36/52/30/274365230.db2.gz BDMOVRRQSAKJLU-SNVBAGLBSA-N 1 1 308.338 0.197 20 5 DCBDMO CNC(=O)C[NH+]1CCC(Nc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000121170312 524071953 /nfs/dbraw/zinc/07/19/53/524071953.db2.gz JGVIHOSOQOHTDN-UHFFFAOYSA-N 1 1 307.354 0.921 20 5 DCBDMO C[C@H](O)C[NH+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000189698192 525754480 /nfs/dbraw/zinc/75/44/80/525754480.db2.gz FMKCDMIRXJJRIJ-LBPRGKRZSA-N 1 1 322.365 0.532 20 5 DCBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246839564 527311541 /nfs/dbraw/zinc/31/15/41/527311541.db2.gz UFYJLMKJCALOSY-MNOVXSKESA-N 1 1 322.365 0.825 20 5 DCBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246839564 527311549 /nfs/dbraw/zinc/31/15/49/527311549.db2.gz UFYJLMKJCALOSY-MNOVXSKESA-N 1 1 322.365 0.825 20 5 DCBDMO C[C@@H]1[C@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC[N@H+]1C ZINC000895738679 662211748 /nfs/dbraw/zinc/21/17/48/662211748.db2.gz YALYMNYAXLHRPA-GHMZBOCLSA-N 1 1 322.369 0.726 20 5 DCBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCN1C ZINC000896580771 662295268 /nfs/dbraw/zinc/29/52/68/662295268.db2.gz NJEXUALYNYZXST-BXUZGUMPSA-N 1 1 306.366 0.959 20 5 DCBDMO C[N@@H+](CCO)CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000899736536 663184585 /nfs/dbraw/zinc/18/45/85/663184585.db2.gz JDOHJTKXSDJGIL-UHFFFAOYSA-N 1 1 301.730 0.902 20 5 DCBDMO C[N@@H+]1CCO[C@H](C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC000911476161 664058751 /nfs/dbraw/zinc/05/87/51/664058751.db2.gz NHQSTQRFORAYKF-LBPRGKRZSA-N 1 1 315.276 0.820 20 5 DCBDMO C[N@H+]1CCO[C@H](C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC000911476161 664058753 /nfs/dbraw/zinc/05/87/53/664058753.db2.gz NHQSTQRFORAYKF-LBPRGKRZSA-N 1 1 315.276 0.820 20 5 DCBDMO COc1ccc(CC(=O)N2CC[N@H+](C)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000912743753 664219419 /nfs/dbraw/zinc/21/94/19/664219419.db2.gz FDKPZCOHZHPCRF-LBPRGKRZSA-N 1 1 323.349 0.281 20 5 DCBDMO COc1ccc(CC(=O)N2CC[N@@H+](C)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000912743753 664219422 /nfs/dbraw/zinc/21/94/22/664219422.db2.gz FDKPZCOHZHPCRF-LBPRGKRZSA-N 1 1 323.349 0.281 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000885859920 667713019 /nfs/dbraw/zinc/71/30/19/667713019.db2.gz CZAMMKCVNOUNQN-GFCCVEGCSA-N 1 1 322.365 0.916 20 5 DCBDMO Cn1c(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000747232054 667897819 /nfs/dbraw/zinc/89/78/19/667897819.db2.gz QBIUBCDSESKHCG-MNOVXSKESA-N 1 1 308.338 0.526 20 5 DCBDMO CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C)CC1 ZINC000888998694 667947871 /nfs/dbraw/zinc/94/78/71/667947871.db2.gz FMHJGJKRWVHEQF-UHFFFAOYSA-N 1 1 306.366 0.914 20 5 DCBDMO C[N@H+](CC(=O)OCCn1ccc([N+](=O)[O-])n1)[C@H]1CCSC1 ZINC000767110148 668559410 /nfs/dbraw/zinc/55/94/10/668559410.db2.gz HRXJTWUUGGNXJU-JTQLQIEISA-N 1 1 314.367 0.772 20 5 DCBDMO C[N@@H+](CC(=O)OCCn1ccc([N+](=O)[O-])n1)[C@H]1CCSC1 ZINC000767110148 668559413 /nfs/dbraw/zinc/55/94/13/668559413.db2.gz HRXJTWUUGGNXJU-JTQLQIEISA-N 1 1 314.367 0.772 20 5 DCBDMO C[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000777832870 668892170 /nfs/dbraw/zinc/89/21/70/668892170.db2.gz WQPJPQODJZOVOV-LLVKDONJSA-N 1 1 305.338 0.745 20 5 DCBDMO C[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])CC[N@H+]1CCO ZINC000777832870 668892172 /nfs/dbraw/zinc/89/21/72/668892172.db2.gz WQPJPQODJZOVOV-LLVKDONJSA-N 1 1 305.338 0.745 20 5 DCBDMO C[C@H]1CN(CC[N+](=O)[O-])C2(CCCC2)C[N@@H+]1CC[N+](=O)[O-] ZINC000930610426 669047105 /nfs/dbraw/zinc/04/71/05/669047105.db2.gz QYYADCGBSXVGTK-LBPRGKRZSA-N 1 1 300.359 0.859 20 5 DCBDMO C[C@H]1CN(CC[N+](=O)[O-])C2(CCCC2)C[N@H+]1CC[N+](=O)[O-] ZINC000930610426 669047109 /nfs/dbraw/zinc/04/71/09/669047109.db2.gz QYYADCGBSXVGTK-LBPRGKRZSA-N 1 1 300.359 0.859 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@@H+](C)[C@H](CO)C1 ZINC000931407498 669195587 /nfs/dbraw/zinc/19/55/87/669195587.db2.gz URPPJBUMCFJYEU-ZDUSSCGKSA-N 1 1 322.365 0.450 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@H+](C)[C@H](CO)C1 ZINC000931407498 669195590 /nfs/dbraw/zinc/19/55/90/669195590.db2.gz URPPJBUMCFJYEU-ZDUSSCGKSA-N 1 1 322.365 0.450 20 5 DCBDMO C[N@@H+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1CO ZINC000931410058 669196836 /nfs/dbraw/zinc/19/68/36/669196836.db2.gz CEEJLJSQHMVTCN-CQSZACIVSA-N 1 1 323.349 0.570 20 5 DCBDMO C[N@H+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1CO ZINC000931410058 669196838 /nfs/dbraw/zinc/19/68/38/669196838.db2.gz CEEJLJSQHMVTCN-CQSZACIVSA-N 1 1 323.349 0.570 20 5 DCBDMO CC(C)[N@@H+]1CCO[C@@H](COC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000802136343 670152268 /nfs/dbraw/zinc/15/22/68/670152268.db2.gz HIDBBXVWTJHJDF-SNVBAGLBSA-N 1 1 312.326 0.594 20 5 DCBDMO CC(C)[N@H+]1CCO[C@@H](COC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000802136343 670152269 /nfs/dbraw/zinc/15/22/69/670152269.db2.gz HIDBBXVWTJHJDF-SNVBAGLBSA-N 1 1 312.326 0.594 20 5 DCBDMO CON1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000846985221 670507612 /nfs/dbraw/zinc/50/76/12/670507612.db2.gz ZMLPTKUQQSTLLJ-ZDUSSCGKSA-N 1 1 311.338 0.514 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852296966 671115345 /nfs/dbraw/zinc/11/53/45/671115345.db2.gz DBIGRJKNQNEQEC-UHFFFAOYSA-N 1 1 318.333 0.626 20 5 DCBDMO C[C@@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000819887834 671143703 /nfs/dbraw/zinc/14/37/03/671143703.db2.gz QHHLRHCLAOVJKT-JTQLQIEISA-N 1 1 307.354 0.751 20 5 DCBDMO Cc1nn(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c(C)c1[N+](=O)[O-] ZINC000853522374 671239921 /nfs/dbraw/zinc/23/99/21/671239921.db2.gz NZYQGCPYIJDRNN-LBPRGKRZSA-N 1 1 305.342 0.979 20 5 DCBDMO Cc1nn(C[N@H+]2CC[C@H](Cn3ccnn3)C2)c(C)c1[N+](=O)[O-] ZINC000853522374 671239923 /nfs/dbraw/zinc/23/99/23/671239923.db2.gz NZYQGCPYIJDRNN-LBPRGKRZSA-N 1 1 305.342 0.979 20 5 DCBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)n1 ZINC000827264432 671520553 /nfs/dbraw/zinc/52/05/53/671520553.db2.gz BQXFBZYSIKMFEG-WDEREUQCSA-N 1 1 307.354 0.977 20 5 DCBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)CCO ZINC000829756793 671588032 /nfs/dbraw/zinc/58/80/32/671588032.db2.gz VVJUWLZRIWQULF-UHFFFAOYSA-N 1 1 313.379 0.971 20 5 DCBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000830871834 671645083 /nfs/dbraw/zinc/64/50/83/671645083.db2.gz OSSWFPYPXXMRGF-BNOWGMLFSA-N 1 1 324.333 0.484 20 5 DCBDMO C[C@@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000836870634 671836986 /nfs/dbraw/zinc/83/69/86/671836986.db2.gz ZWVHYXZUHMXFAC-TXEJJXNPSA-N 1 1 301.387 0.735 20 5 DCBDMO Cc1ncc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC001020138960 693709627 /nfs/dbraw/zinc/70/96/27/693709627.db2.gz JTXAYXWSDFXOPF-CNVPUSNMSA-N 1 1 310.379 0.854 20 5 DCBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(CO)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020138901 693709644 /nfs/dbraw/zinc/70/96/44/693709644.db2.gz HGDQQTZHRSKENC-KBUPBQIOSA-N 1 1 319.361 0.581 20 5 DCBDMO C[C@@H](C(=O)OCc1cccc([N+](=O)[O-])c1)N1CC[NH2+]CC1=O ZINC001575082327 1163884439 /nfs/dbraw/zinc/88/44/39/1163884439.db2.gz RBBQGLAAXKDFHC-JTQLQIEISA-N 1 1 307.306 0.458 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNc2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])C1 ZINC001591180696 1167132872 /nfs/dbraw/zinc/13/28/72/1167132872.db2.gz PURGWTVDNYXULO-ZDUSSCGKSA-N 1 1 319.325 0.253 20 5 DCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@@H+](CCO)CC1CC1 ZINC001593467235 1167859476 /nfs/dbraw/zinc/85/94/76/1167859476.db2.gz NVDOFHUFFRRUAP-UHFFFAOYSA-N 1 1 318.337 0.979 20 5 DCBDMO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1CCC[C@H]1CO ZINC001593480840 1167865622 /nfs/dbraw/zinc/86/56/22/1167865622.db2.gz CYRXGRTWLUDCLH-VIFPVBQESA-N 1 1 304.310 0.732 20 5 DCBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)n1 ZINC001618102445 1171394789 /nfs/dbraw/zinc/39/47/89/1171394789.db2.gz ZJPBCMRIFMVJLJ-GHMZBOCLSA-N 1 1 324.385 0.175 20 5 DCBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@H]1C[N@H+](C)CCO1 ZINC001622416689 1171424767 /nfs/dbraw/zinc/42/47/67/1171424767.db2.gz ZWVIOXUFZASNHU-TVQRCGJNSA-N 1 1 308.338 0.626 20 5 DCBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@H]1C[N@@H+](C)CCO1 ZINC001622416689 1171424772 /nfs/dbraw/zinc/42/47/72/1171424772.db2.gz ZWVIOXUFZASNHU-TVQRCGJNSA-N 1 1 308.338 0.626 20 5 DCBDMO COCCC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001629080659 1171541175 /nfs/dbraw/zinc/54/11/75/1171541175.db2.gz YEJFBZDYPYAIFP-UHFFFAOYSA-N 1 1 310.354 0.875 20 5 DCBDMO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001635983109 1171719586 /nfs/dbraw/zinc/71/95/86/1171719586.db2.gz XMLMAKALZLTYFP-NEPJUHHUSA-N 1 1 320.349 0.458 20 5 DCBDMO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC([NH2+]C2COC2)C1 ZINC001636333838 1171733486 /nfs/dbraw/zinc/73/34/86/1171733486.db2.gz UVVHRIWBKQASLQ-UHFFFAOYSA-N 1 1 321.289 0.136 20 5 DCBDMO CCOc1ccc(C(=O)N2CC([NH2+]C3COC3)C2)cc1[N+](=O)[O-] ZINC001636333130 1171734363 /nfs/dbraw/zinc/73/43/63/1171734363.db2.gz DCCOVRKOEKAYIX-UHFFFAOYSA-N 1 1 321.333 0.806 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN(C3C[NH+](C)C3)CC2)n1 ZINC001637961608 1171783490 /nfs/dbraw/zinc/78/34/90/1171783490.db2.gz ZXNLHGVFKJPKLE-UHFFFAOYSA-N 1 1 319.365 0.370 20 5 DCBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCN3CCOC[C@]3(CO)C2)cc1 ZINC001644676945 1172013276 /nfs/dbraw/zinc/01/32/76/1172013276.db2.gz SIAUADORWFBSPV-MRXNPFEDSA-N 1 1 321.377 0.516 20 5 DCBDMO O=[N+]([O-])c1ccc(NC[C@]2(CO)COCC[NH2+]2)c2ncccc12 ZINC001651383770 1173747817 /nfs/dbraw/zinc/74/78/17/1173747817.db2.gz NCKUWUOEWSASAO-HNNXBMFYSA-N 1 1 318.333 0.906 20 5 DCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC001652642691 1173773363 /nfs/dbraw/zinc/77/33/63/1173773363.db2.gz QOKVPUOHUMTIEB-LLVKDONJSA-N 1 1 323.353 0.311 20 5 DCBDMO NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001654974421 1173813423 /nfs/dbraw/zinc/81/34/23/1173813423.db2.gz CNZRPLSRCKVMBT-SECBINFHSA-N 1 1 317.342 0.844 20 5 DCBDMO NS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001654974421 1173813426 /nfs/dbraw/zinc/81/34/26/1173813426.db2.gz CNZRPLSRCKVMBT-SECBINFHSA-N 1 1 317.342 0.844 20 5 DCBDMO CNC(=O)NC[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC001655330875 1173817712 /nfs/dbraw/zinc/81/77/12/1173817712.db2.gz UTDKRWDITOQHDS-NSHDSACASA-N 1 1 310.358 0.575 20 5 DCBDMO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)Cc2c[nH]nc21 ZINC001655278583 1173817785 /nfs/dbraw/zinc/81/77/85/1173817785.db2.gz UMURCPWFIPUSEI-BXKDBHETSA-N 1 1 306.326 0.495 20 5 DCBDMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)Cc2c[nH]nc21 ZINC001655278583 1173817788 /nfs/dbraw/zinc/81/77/88/1173817788.db2.gz UMURCPWFIPUSEI-BXKDBHETSA-N 1 1 306.326 0.495 20 5 DCBDMO C[N@@H+](CCCNC(=O)c1cn[nH]n1)Cc1cccc([N+](=O)[O-])c1 ZINC001660208055 1173960046 /nfs/dbraw/zinc/96/00/46/1173960046.db2.gz VORQPFXDVRUAOT-UHFFFAOYSA-N 1 1 318.337 0.965 20 5 DCBDMO C[N@H+](CCCNC(=O)c1cnn[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001660208055 1173960048 /nfs/dbraw/zinc/96/00/48/1173960048.db2.gz VORQPFXDVRUAOT-UHFFFAOYSA-N 1 1 318.337 0.965 20 5 DCBDMO C[N@@H+](CCCNC(=O)c1cnn[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001660208055 1173960053 /nfs/dbraw/zinc/96/00/53/1173960053.db2.gz VORQPFXDVRUAOT-UHFFFAOYSA-N 1 1 318.337 0.965 20 5 DCBDMO O=C(NC/C=C\C[NH2+]Cc1ccc(CO)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC001699254821 1177991153 /nfs/dbraw/zinc/99/11/53/1177991153.db2.gz CKJCFDWRIFDPCL-LHBIUNCVSA-N 1 1 319.361 0.606 20 5 DCBDMO C[N@@H+](CCCNC(=O)c1cn[nH]n1)Cc1ccccc1[N+](=O)[O-] ZINC001712957074 1180586402 /nfs/dbraw/zinc/58/64/02/1180586402.db2.gz UCEJIBVMHNQGRO-UHFFFAOYSA-N 1 1 318.337 0.965 20 5 DCBDMO C[N@H+](CCCNC(=O)c1cnn[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC001712957074 1180586403 /nfs/dbraw/zinc/58/64/03/1180586403.db2.gz UCEJIBVMHNQGRO-UHFFFAOYSA-N 1 1 318.337 0.965 20 5 DCBDMO C[N@@H+](CCCNC(=O)c1cnn[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC001712957074 1180586405 /nfs/dbraw/zinc/58/64/05/1180586405.db2.gz UCEJIBVMHNQGRO-UHFFFAOYSA-N 1 1 318.337 0.965 20 5 DCBDMO CCNC(=O)CC(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001713451189 1180830989 /nfs/dbraw/zinc/83/09/89/1180830989.db2.gz RSKYYLVTPBWNQX-UHFFFAOYSA-N 1 1 322.365 0.669 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1CN[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001713958988 1181173266 /nfs/dbraw/zinc/17/32/66/1181173266.db2.gz XFGSNRJHZUZBAB-XYPYZODXSA-N 1 1 324.385 0.017 20 5 DCBDMO Cc1nc(CC[N@@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cs1 ZINC001714538102 1181406640 /nfs/dbraw/zinc/40/66/40/1181406640.db2.gz YBZUZVQXSHHRTB-VXGBXAGGSA-N 1 1 312.395 0.707 20 5 DCBDMO Cc1nc(CC[N@H+](C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC001714538102 1181406643 /nfs/dbraw/zinc/40/66/43/1181406643.db2.gz YBZUZVQXSHHRTB-VXGBXAGGSA-N 1 1 312.395 0.707 20 5 DCBDMO Cc1nc(CC[N@@H+](C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC001714538102 1181406647 /nfs/dbraw/zinc/40/66/47/1181406647.db2.gz YBZUZVQXSHHRTB-VXGBXAGGSA-N 1 1 312.395 0.707 20 5 DCBDMO CC(C)N(CC[N@@H+](C)CCn1cccn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001725729403 1184976756 /nfs/dbraw/zinc/97/67/56/1184976756.db2.gz WYTFVYKLXVJLDU-ZIAGYGMSSA-N 1 1 323.397 0.717 20 5 DCBDMO CC(C)N(CC[N@H+](C)CCn1cccn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001725729403 1184976763 /nfs/dbraw/zinc/97/67/63/1184976763.db2.gz WYTFVYKLXVJLDU-ZIAGYGMSSA-N 1 1 323.397 0.717 20 5 DCBDMO CC(C)N(CC[N@@H+](C)CCn1cccn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001725729403 1184976771 /nfs/dbraw/zinc/97/67/71/1184976771.db2.gz WYTFVYKLXVJLDU-ZIAGYGMSSA-N 1 1 323.397 0.717 20 5 DCBDMO Cn1cc(C(=O)NCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])nn1 ZINC001731769024 1185476806 /nfs/dbraw/zinc/47/68/06/1185476806.db2.gz MVSSPWNCNYMUQM-UHFFFAOYSA-N 1 1 318.337 0.585 20 5 DCBDMO Cn1cc(C(=O)NCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])nn1 ZINC001731769024 1185476813 /nfs/dbraw/zinc/47/68/13/1185476813.db2.gz MVSSPWNCNYMUQM-UHFFFAOYSA-N 1 1 318.337 0.585 20 5 DCBDMO Cc1nn(C(C)C)cc1C[NH2+]CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001731912315 1185569025 /nfs/dbraw/zinc/56/90/25/1185569025.db2.gz YLFLNLFSOIEKER-ZIAGYGMSSA-N 1 1 323.397 0.986 20 5 DCBDMO COc1ccc(CC[N@@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001753048937 1188483513 /nfs/dbraw/zinc/48/35/13/1188483513.db2.gz LFPQARQVJDNGBO-HUUCEWRRSA-N 1 1 321.377 0.951 20 5 DCBDMO COc1ccc(CC[N@H+](C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001753048937 1188483516 /nfs/dbraw/zinc/48/35/16/1188483516.db2.gz LFPQARQVJDNGBO-HUUCEWRRSA-N 1 1 321.377 0.951 20 5 DCBDMO COc1ccc(CC[N@@H+](C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001753048937 1188483518 /nfs/dbraw/zinc/48/35/18/1188483518.db2.gz LFPQARQVJDNGBO-HUUCEWRRSA-N 1 1 321.377 0.951 20 5 DCBDMO CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001089274834 750925858 /nfs/dbraw/zinc/92/58/58/750925858.db2.gz CTJCLGPQXDSUKA-PSASIEDQSA-N 1 1 310.379 0.803 20 5 DCBDMO Cc1ncoc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086363473 760102719 /nfs/dbraw/zinc/10/27/19/760102719.db2.gz WFGNXCLPNRGOKQ-DDHJBXDOSA-N 1 1 308.338 0.633 20 5 DCBDMO CCS(=O)(=O)N1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169040373 760556981 /nfs/dbraw/zinc/55/69/81/760556981.db2.gz ZKIKZBIPVYJOGW-VXGBXAGGSA-N 1 1 305.400 0.399 20 5 DCBDMO O=C(NC1CC1)[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC001116209419 765850302 /nfs/dbraw/zinc/85/03/02/765850302.db2.gz MYDJLWNVAWZNCJ-NSHDSACASA-N 1 1 307.354 0.782 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)Cc1ccco1 ZINC001135587207 765992412 /nfs/dbraw/zinc/99/24/12/765992412.db2.gz PMQGWJBMXIFCBD-UHFFFAOYSA-N 1 1 307.310 0.370 20 5 DCBDMO CC[C@@]([NH3+])(CO)Nc1cc([N+](=O)[O-])cc(Br)[n+]1[O-] ZINC001170864820 766155595 /nfs/dbraw/zinc/15/55/95/766155595.db2.gz IUPZBIJYVJYFJD-VIFPVBQESA-N 1 1 321.131 0.460 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001121291697 767500252 /nfs/dbraw/zinc/50/02/52/767500252.db2.gz OSDPAGOSXYFIBO-SDDRHHMPSA-N 1 1 307.354 0.556 20 5 DCBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)NCCC[NH+]1CCOCC1 ZINC001203061902 768543796 /nfs/dbraw/zinc/54/37/96/768543796.db2.gz RGUSXMGCFPGEFS-UHFFFAOYSA-N 1 1 323.353 0.564 20 5 DCBDMO NC(=O)C[NH+]1CCC(NC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC001150054692 768934459 /nfs/dbraw/zinc/93/44/59/768934459.db2.gz ZFXUSJGTZWKOKO-UHFFFAOYSA-N 1 1 324.312 0.413 20 5 DCBDMO Cn1ncnc1C[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178458553 770759511 /nfs/dbraw/zinc/75/95/11/770759511.db2.gz LNGURPRERJAWFI-VXGBXAGGSA-N 1 1 324.385 0.247 20 5 DCBDMO O=C(NCCC[NH2+]Cc1cccc(Cl)n1)[C@@H]1CC1[N+](=O)[O-] ZINC001157761005 771665461 /nfs/dbraw/zinc/66/54/61/771665461.db2.gz JRUKKLXGAZSQHQ-GHMZBOCLSA-N 1 1 312.757 0.996 20 5 DCBDMO CC(C)n1cc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])nn1 ZINC001157767186 771665686 /nfs/dbraw/zinc/66/56/86/771665686.db2.gz ITIVIMYVRKSMQY-VXGBXAGGSA-N 1 1 310.358 0.120 20 5 DCBDMO CC(C)(C)n1cc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])nn1 ZINC001157767039 771665998 /nfs/dbraw/zinc/66/59/98/771665998.db2.gz DVHRRTJYKLHERV-VXGBXAGGSA-N 1 1 324.385 0.294 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cnc(N)c([N+](=O)[O-])c3)[C@H]2C1 ZINC001159885489 771972983 /nfs/dbraw/zinc/97/29/83/771972983.db2.gz OMIOCHFFRAKDCB-LSJOCFKGSA-N 1 1 305.338 0.642 20 5 DCBDMO Cc1[nH+]c2c(n1CCO)CC[C@@H](Nc1ccncc1[N+](=O)[O-])C2 ZINC001186896147 772102452 /nfs/dbraw/zinc/10/24/52/772102452.db2.gz MNMOLSDZDRTUKE-LLVKDONJSA-N 1 1 317.349 0.878 20 5 DCBDMO COc1ncc([N+](=O)[O-])c(NCC2(N(C)C)CC[NH+](C)CC2)n1 ZINC001164206994 772625581 /nfs/dbraw/zinc/62/55/81/772625581.db2.gz OYWYQPCZZNEPKC-UHFFFAOYSA-N 1 1 324.385 0.831 20 5 DCBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(F)(F)[C@H]([NH3+])C1 ZINC001164319910 772645805 /nfs/dbraw/zinc/64/58/05/772645805.db2.gz SPHHIWAFZBXTEG-SECBINFHSA-N 1 1 316.264 0.949 20 5 DCBDMO COc1nc(C)c([N+](=O)[O-])c(N2CCC(F)(F)[C@@H]([NH3+])C2)n1 ZINC001164322535 772645987 /nfs/dbraw/zinc/64/59/87/772645987.db2.gz BZOBMLYKIOWLFJ-ZETCQYMHSA-N 1 1 303.269 0.875 20 5 DCBDMO O=[N+]([O-])c1ncccc1C[NH+]1CCC(O)(COCCO)CC1 ZINC001197920601 773822189 /nfs/dbraw/zinc/82/21/89/773822189.db2.gz DZMXAPJNRPKJDK-UHFFFAOYSA-N 1 1 311.338 0.326 20 5 DCBDMO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cccc(=O)[nH]1 ZINC001198093089 773853397 /nfs/dbraw/zinc/85/33/97/773853397.db2.gz DCCWTTUNLVHKJP-UHFFFAOYSA-N 1 1 304.306 0.989 20 5 DCBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cccc(=O)[nH]1 ZINC001198093089 773853404 /nfs/dbraw/zinc/85/34/04/773853404.db2.gz DCCWTTUNLVHKJP-UHFFFAOYSA-N 1 1 304.306 0.989 20 5 DCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]1CO ZINC001198113157 773863524 /nfs/dbraw/zinc/86/35/24/773863524.db2.gz WCVDTIPMZVAIKU-LLVKDONJSA-N 1 1 309.322 0.999 20 5 DCBDMO Cc1nn[nH]c1C(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001317616347 945116295 /nfs/dbraw/zinc/11/62/95/945116295.db2.gz SVKIAJFIAGNSQS-UHFFFAOYSA-N 1 1 318.337 0.883 20 5 DCBDMO Cn1nccc1C[NH2+]CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001267838010 939692646 /nfs/dbraw/zinc/69/26/46/939692646.db2.gz QBISVTVOOQOXMD-CHWSQXEVSA-N 1 1 321.381 0.604 20 5 DCBDMO COCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001270060683 940827146 /nfs/dbraw/zinc/82/71/46/940827146.db2.gz RKVZGJFMDUXIHG-ZIAGYGMSSA-N 1 1 307.350 0.704 20 5 DCBDMO CN(CC[NH2+]Cc1ccnc(Cl)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001493546517 942839244 /nfs/dbraw/zinc/83/92/44/942839244.db2.gz YYTKWPCKWLGZBE-GHMZBOCLSA-N 1 1 312.757 0.948 20 5 DCBDMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319855887 945680925 /nfs/dbraw/zinc/68/09/25/945680925.db2.gz KQKFZAOXMTWSEQ-HNNXBMFYSA-N 1 1 316.361 0.827 20 5 DCBDMO Cn1cc([N+](=O)[O-])c(C(=O)NCCCCN2CC[NH+](C)CC2)n1 ZINC001320011184 945717543 /nfs/dbraw/zinc/71/75/43/945717543.db2.gz RBLUHPAZTJJQSL-UHFFFAOYSA-N 1 1 324.385 0.086 20 5 DCBDMO CCN(CC[NH2+]Cc1cncc(C)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001273375107 946912456 /nfs/dbraw/zinc/91/24/56/946912456.db2.gz QIIXTSWRRGNGQP-ZIAGYGMSSA-N 1 1 306.366 0.993 20 5 DCBDMO Cn1cc[nH+]c1[C@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC001261208943 947220415 /nfs/dbraw/zinc/22/04/15/947220415.db2.gz MGMHVWBZNDJMLJ-VIFPVBQESA-N 1 1 316.321 0.816 20 5 DCBDMO C[C@@H]1C[C@@H](N(C)C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC001324267979 947371484 /nfs/dbraw/zinc/37/14/84/947371484.db2.gz SZCMZCRRZJWRHB-NEPJUHHUSA-N 1 1 322.365 0.698 20 5 DCBDMO CN(CC(C)(C)C[NH2+]Cc1cnn(C)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001329293023 949486125 /nfs/dbraw/zinc/48/61/25/949486125.db2.gz QVXWFFIEHSVNPY-CHWSQXEVSA-N 1 1 323.397 0.660 20 5 DCBDMO CC[N@@H+](C)CCC(=O)NCCN(C)c1ncccc1[N+](=O)[O-] ZINC001316594485 950529685 /nfs/dbraw/zinc/52/96/85/950529685.db2.gz FHQLTZQIDWRGDF-UHFFFAOYSA-N 1 1 309.370 0.884 20 5 DCBDMO C[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC001335369819 952527029 /nfs/dbraw/zinc/52/70/29/952527029.db2.gz YOLGOEXAUADZJG-BBRMVZONSA-N 1 1 322.409 0.854 20 5 DCBDMO CC1(C)[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC001300189681 955910755 /nfs/dbraw/zinc/91/07/55/955910755.db2.gz VAJAEFAOZLDTCU-MNOVXSKESA-N 1 1 323.353 0.547 20 5 DCBDMO Cc1nn(C)c(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)c1[N+](=O)[O-] ZINC001353285182 956004494 /nfs/dbraw/zinc/00/44/94/956004494.db2.gz KHAVWVMNYRTPNA-OUAUKWLOSA-N 1 1 307.354 0.707 20 5 DCBDMO C[C@@H](c1nnc(N2CC[NH+]([C@@H]3CCOC3)CC2)n1C)[N+](=O)[O-] ZINC001355415613 956645852 /nfs/dbraw/zinc/64/58/52/956645852.db2.gz KOHHEZDDRCPRDN-WDEREUQCSA-N 1 1 310.358 0.064 20 5 DCBDMO CCc1n[nH]c(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)c1[N+](=O)[O-] ZINC001305874084 960114579 /nfs/dbraw/zinc/11/45/79/960114579.db2.gz MPNMVGPPQKZSRN-WCABBAIRSA-N 1 1 307.354 0.950 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC001307995648 960164303 /nfs/dbraw/zinc/16/43/03/960164303.db2.gz CNAFPUVUHZTPNM-OKILXGFUSA-N 1 1 312.370 0.413 20 5 DCBDMO Cn1cc([N+](=O)[O-])c(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC001472695773 1016848410 /nfs/dbraw/zinc/84/84/10/1016848410.db2.gz FSDQEKTXAVTAQF-GFCCVEGCSA-N 1 1 308.386 0.545 20 5 DCBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](Nc3ncccn3)C2)n1 ZINC001473863684 1016981343 /nfs/dbraw/zinc/98/13/43/1016981343.db2.gz BIZJAJWOTUBKLF-LLVKDONJSA-N 1 1 303.326 0.768 20 5 DCBDMO Cn1nccc1[C@@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001460848222 1012977466 /nfs/dbraw/zinc/97/74/66/1012977466.db2.gz WVYQCYBMTGUZJQ-OCCSQVGLSA-N 1 1 320.353 0.723 20 5 DCBDMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001521286172 1017344692 /nfs/dbraw/zinc/34/46/92/1017344692.db2.gz FCOBAZZBSOKSBS-SWLSCSKDSA-N 1 1 318.377 0.642 20 5 DCBDMO O=C(NCCC[NH+]1CCC(O)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272718167 210122266 /nfs/dbraw/zinc/12/22/66/210122266.db2.gz ZHZWMVXAXWVPOY-UHFFFAOYSA-N 1 1 323.349 0.877 20 5 DCBDMO C[C@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)C1=CC[N@@H+](C)CC1 ZINC000272640090 210042461 /nfs/dbraw/zinc/04/24/61/210042461.db2.gz BAJSWRLJUQYEFO-NSHDSACASA-N 1 1 322.369 0.741 20 5 DCBDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173593957 198231016 /nfs/dbraw/zinc/23/10/16/198231016.db2.gz BCIGTTWJLMGRIQ-CYBMUJFWSA-N 1 1 320.393 0.889 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000174161788 198300403 /nfs/dbraw/zinc/30/04/03/198300403.db2.gz QUELXWFFANBEIC-CYBMUJFWSA-N 1 1 309.322 0.550 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000174161788 198300405 /nfs/dbraw/zinc/30/04/05/198300405.db2.gz QUELXWFFANBEIC-CYBMUJFWSA-N 1 1 309.322 0.550 20 5 DCBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1(O)CCOCC1 ZINC000187067453 200055752 /nfs/dbraw/zinc/05/57/52/200055752.db2.gz SHXRGEAFYBDMQI-UHFFFAOYSA-N 1 1 323.349 0.667 20 5 DCBDMO C[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000153801075 291208649 /nfs/dbraw/zinc/20/86/49/291208649.db2.gz QROYIYGMKSTVCX-NSHDSACASA-N 1 1 320.349 0.991 20 5 DCBDMO CCCc1[nH]nc(C(=O)N2CCC(O)(C[NH3+])CC2)c1[N+](=O)[O-] ZINC000567842230 291383986 /nfs/dbraw/zinc/38/39/86/291383986.db2.gz FERRKCZSRUYHTK-UHFFFAOYSA-N 1 1 311.342 0.196 20 5 DCBDMO Cc1cc(C(=O)NC[C@H]2C[N@H+](C)CCN2C)c(N)c([N+](=O)[O-])c1 ZINC000264949502 204297182 /nfs/dbraw/zinc/29/71/82/204297182.db2.gz TYNVWAIZYBPBEX-NSHDSACASA-N 1 1 321.381 0.461 20 5 DCBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000282597746 217115920 /nfs/dbraw/zinc/11/59/20/217115920.db2.gz XPNPWHXPQBDMRY-AWEZNQCLSA-N 1 1 307.350 0.926 20 5 DCBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000282597746 217115925 /nfs/dbraw/zinc/11/59/25/217115925.db2.gz XPNPWHXPQBDMRY-AWEZNQCLSA-N 1 1 307.350 0.926 20 5 DCBDMO COc1cc(C[NH2+][C@H](C)C(=O)NCCF)c([N+](=O)[O-])cc1O ZINC000282654876 217155852 /nfs/dbraw/zinc/15/58/52/217155852.db2.gz LKJQGGQWMNXGIJ-MRVPVSSYSA-N 1 1 315.301 0.873 20 5 DCBDMO CCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000572483163 291570648 /nfs/dbraw/zinc/57/06/48/291570648.db2.gz SFXADEICOZADQA-JTQLQIEISA-N 1 1 314.367 0.752 20 5 DCBDMO CCn1cc(S(=O)(=O)NCC[N@@H+](C)CC)c([N+](=O)[O-])n1 ZINC000339048223 253025604 /nfs/dbraw/zinc/02/56/04/253025604.db2.gz RDYDDDCMHRLTMV-UHFFFAOYSA-N 1 1 305.360 0.041 20 5 DCBDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H](C)C1 ZINC000340897481 253319776 /nfs/dbraw/zinc/31/97/76/253319776.db2.gz NYBSYOCFKCFSPB-JTQLQIEISA-N 1 1 324.337 0.632 20 5 DCBDMO COC(=O)CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H](C)C1 ZINC000340897481 253319778 /nfs/dbraw/zinc/31/97/78/253319778.db2.gz NYBSYOCFKCFSPB-JTQLQIEISA-N 1 1 324.337 0.632 20 5 DCBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCN(CCO)CC1 ZINC000341584906 253398469 /nfs/dbraw/zinc/39/84/69/253398469.db2.gz MLSKMGUTJKLBOO-UHFFFAOYSA-N 1 1 324.381 0.145 20 5 DCBDMO CN(CCn1cc([N+](=O)[O-])ccc1=O)C1CC[NH+](CCO)CC1 ZINC000341584906 253398471 /nfs/dbraw/zinc/39/84/71/253398471.db2.gz MLSKMGUTJKLBOO-UHFFFAOYSA-N 1 1 324.381 0.145 20 5 DCBDMO Cc1cccc(NCCNC(=O)Cn2ccc([N+](=O)[O-])n2)[nH+]1 ZINC000346265968 254029252 /nfs/dbraw/zinc/02/92/52/254029252.db2.gz RXXDGMWBGUSCKN-UHFFFAOYSA-N 1 1 304.310 0.723 20 5 DCBDMO C[C@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000351825327 254372193 /nfs/dbraw/zinc/37/21/93/254372193.db2.gz XKCVUNHSZRSTEQ-IINYFYTJSA-N 1 1 305.334 0.797 20 5 DCBDMO C[C@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000351825327 254372194 /nfs/dbraw/zinc/37/21/94/254372194.db2.gz XKCVUNHSZRSTEQ-IINYFYTJSA-N 1 1 305.334 0.797 20 5 DCBDMO NC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[NH2+]1 ZINC000271490310 395868118 /nfs/dbraw/zinc/86/81/18/395868118.db2.gz KGXWBPXNKGTQMG-QMMMGPOBSA-N 1 1 316.264 0.460 20 5 DCBDMO C[C@H](O)C[N@H+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000246060555 395940104 /nfs/dbraw/zinc/94/01/04/395940104.db2.gz DEOFCKCHGTXLPD-MNOVXSKESA-N 1 1 322.365 0.585 20 5 DCBDMO C[N@H+]1CCC[C@H]2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000248178022 395983945 /nfs/dbraw/zinc/98/39/45/395983945.db2.gz VYAIVPGXOXULAI-WCQYABFASA-N 1 1 307.354 0.734 20 5 DCBDMO CC[N@@H+](C)CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067483162 396027334 /nfs/dbraw/zinc/02/73/34/396027334.db2.gz ANOATEMXROFHND-UHFFFAOYSA-N 1 1 318.337 0.857 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000152919463 396017753 /nfs/dbraw/zinc/01/77/53/396017753.db2.gz VDOSRDVHAWEYHD-MRVWCRGKSA-N 1 1 310.354 0.653 20 5 DCBDMO COCC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000277668692 396080682 /nfs/dbraw/zinc/08/06/82/396080682.db2.gz XHVKPJOYCGXTEJ-UHFFFAOYSA-N 1 1 311.338 0.911 20 5 DCBDMO CNC(=O)[C@H](C)C[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000176372391 396155067 /nfs/dbraw/zinc/15/50/67/396155067.db2.gz XVEUCENBNGDIJB-SNVBAGLBSA-N 1 1 308.338 0.847 20 5 DCBDMO CNC(=O)[C@H](C)C[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000176372391 396155068 /nfs/dbraw/zinc/15/50/68/396155068.db2.gz XVEUCENBNGDIJB-SNVBAGLBSA-N 1 1 308.338 0.847 20 5 DCBDMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000176385615 396155104 /nfs/dbraw/zinc/15/51/04/396155104.db2.gz DLSJICHTBONETJ-VIFPVBQESA-N 1 1 308.338 0.508 20 5 DCBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000279159815 396155239 /nfs/dbraw/zinc/15/52/39/396155239.db2.gz FUQZEVWNSRZFDH-SNVBAGLBSA-N 1 1 323.353 0.643 20 5 DCBDMO C[C@H](CN1CCOCC1)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000279699498 396187171 /nfs/dbraw/zinc/18/71/71/396187171.db2.gz IQBJKUDHSHLPFX-CYBMUJFWSA-N 1 1 324.381 0.409 20 5 DCBDMO Cc1[nH+]ccn1CCCN(C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000178704368 396204890 /nfs/dbraw/zinc/20/48/90/396204890.db2.gz QKTIZPWQQMPGII-UHFFFAOYSA-N 1 1 306.326 0.845 20 5 DCBDMO C[N@@H+](CCOCCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000282246745 396274879 /nfs/dbraw/zinc/27/48/79/396274879.db2.gz BVCHYPMHOCPLPF-LBPRGKRZSA-N 1 1 314.338 0.275 20 5 DCBDMO Nc1nc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC000283351272 396331957 /nfs/dbraw/zinc/33/19/57/396331957.db2.gz BNILOMIOAODLNP-NSHDSACASA-N 1 1 322.369 0.516 20 5 DCBDMO Cc1n[nH]c(C(=O)NCCC[N@H+](C)CCN(C)C)c1[N+](=O)[O-] ZINC000290746028 396471686 /nfs/dbraw/zinc/47/16/86/396471686.db2.gz XYKATTDFIPTGLA-UHFFFAOYSA-N 1 1 312.374 0.240 20 5 DCBDMO Cc1n[nH]c(C(=O)NCCCN(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000290746028 396471688 /nfs/dbraw/zinc/47/16/88/396471688.db2.gz XYKATTDFIPTGLA-UHFFFAOYSA-N 1 1 312.374 0.240 20 5 DCBDMO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000594965421 396541740 /nfs/dbraw/zinc/54/17/40/396541740.db2.gz HVJRBZSTANTHMF-WCQYABFASA-N 1 1 314.363 0.805 20 5 DCBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000293926988 396642615 /nfs/dbraw/zinc/64/26/15/396642615.db2.gz IXNUNDMPNXNSDW-AWEZNQCLSA-N 1 1 307.354 0.736 20 5 DCBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000586757894 396663423 /nfs/dbraw/zinc/66/34/23/396663423.db2.gz ZLASTOBENYGNGA-NSHDSACASA-N 1 1 323.353 0.645 20 5 DCBDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)C1 ZINC000586782149 396665333 /nfs/dbraw/zinc/66/53/33/396665333.db2.gz JWBBXCIUIJGNBI-LLVKDONJSA-N 1 1 322.369 0.170 20 5 DCBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588860772 396696188 /nfs/dbraw/zinc/69/61/88/396696188.db2.gz LGNNASHSUNDVQG-HUUCEWRRSA-N 1 1 319.361 0.805 20 5 DCBDMO Cn1c(C(=O)N2CCC([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000600105422 396738745 /nfs/dbraw/zinc/73/87/45/396738745.db2.gz QGKRZJBYWFSHID-UHFFFAOYSA-N 1 1 322.365 0.870 20 5 DCBDMO Cc1c(CC(=O)N2CC[NH+](CCO)CC2)cccc1[N+](=O)[O-] ZINC000305257874 396742342 /nfs/dbraw/zinc/74/23/42/396742342.db2.gz WYPZPUQRGNRKSE-UHFFFAOYSA-N 1 1 307.350 0.582 20 5 DCBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000611217869 396836962 /nfs/dbraw/zinc/83/69/62/396836962.db2.gz QJUGYINDVMRDKB-OAHLLOKOSA-N 1 1 318.377 0.643 20 5 DCBDMO COc1cc(C(=O)NCC[N@H+]2CC[C@H](O)C2)cc([N+](=O)[O-])c1C ZINC000600808102 396945963 /nfs/dbraw/zinc/94/59/63/396945963.db2.gz HUSRRYLHIMNBFQ-LBPRGKRZSA-N 1 1 323.349 0.708 20 5 DCBDMO C[C@H]([NH3+])[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000592308514 397149706 /nfs/dbraw/zinc/14/97/06/397149706.db2.gz NMBBFDOYJKANKE-QPUJVOFHSA-N 1 1 319.321 0.659 20 5 DCBDMO CCCc1[nH]nc(C(=O)N2CCCO[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000592342840 397156633 /nfs/dbraw/zinc/15/66/33/397156633.db2.gz HWOXULMLYNPFRJ-VIFPVBQESA-N 1 1 311.342 0.460 20 5 DCBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000598219413 397190178 /nfs/dbraw/zinc/19/01/78/397190178.db2.gz LNUIYRFHHHPGKX-LLVKDONJSA-N 1 1 322.369 0.710 20 5 DCBDMO O=C1CCCN1[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000574029330 397228802 /nfs/dbraw/zinc/22/88/02/397228802.db2.gz VFJOETPVZRCEIN-GFCCVEGCSA-N 1 1 307.354 0.878 20 5 DCBDMO CC1(C)CC[C@@H](CO)[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000598648088 397267727 /nfs/dbraw/zinc/26/77/27/397267727.db2.gz NQBBXNVEEQOEHK-WCQYABFASA-N 1 1 312.370 0.635 20 5 DCBDMO [NH3+]CC[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000383274746 397277347 /nfs/dbraw/zinc/27/73/47/397277347.db2.gz IGVORIVIHJVSLQ-SNVBAGLBSA-N 1 1 323.321 0.997 20 5 DCBDMO C[C@@H]1[C@H](C)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C[N@H+]1C ZINC000593188438 397336726 /nfs/dbraw/zinc/33/67/26/397336726.db2.gz HFSFOCBOWUOVDK-TUAOUCFPSA-N 1 1 322.365 0.696 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](n2cncn2)C1 ZINC000614418972 397434785 /nfs/dbraw/zinc/43/47/85/397434785.db2.gz MSKXPMNCBHGSDF-NSHDSACASA-N 1 1 304.310 0.295 20 5 DCBDMO COc1ccccc1[C@@H]([NH3+])C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000578132914 397395480 /nfs/dbraw/zinc/39/54/80/397395480.db2.gz FWFDPCSMIBDBHR-CYBMUJFWSA-N 1 1 319.321 0.616 20 5 DCBDMO COc1ccc(C[NH2+]C[C@@H]2CC(C(N)=O)=NO2)cc1[N+](=O)[O-] ZINC000276491241 158940394 /nfs/dbraw/zinc/94/03/94/158940394.db2.gz QDJOVQSWJXYBFD-VIFPVBQESA-N 1 1 308.294 0.323 20 5 DCBDMO COCC[N@@H+](C)CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000263732805 287129643 /nfs/dbraw/zinc/12/96/43/287129643.db2.gz HCGRQDHXOZYDCY-UHFFFAOYSA-N 1 1 311.338 0.668 20 5 DCBDMO C[N@H+]1CC[C@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000355617832 287185332 /nfs/dbraw/zinc/18/53/32/287185332.db2.gz KGPFWOMICDVJBH-LBPRGKRZSA-N 1 1 313.379 0.761 20 5 DCBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000268146261 415165490 /nfs/dbraw/zinc/16/54/90/415165490.db2.gz FDDQZUNDVIHAED-MFKMUULPSA-N 1 1 320.349 0.355 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1COC[C@H]1O ZINC000352805148 415329017 /nfs/dbraw/zinc/32/90/17/415329017.db2.gz RCZJJTHHKAQHAO-UONOGXRCSA-N 1 1 323.349 0.923 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1COC[C@@H]1O ZINC000352807646 415329983 /nfs/dbraw/zinc/32/99/83/415329983.db2.gz WYIHYCJQYFLWPO-KBPBESRZSA-N 1 1 323.349 0.923 20 5 DCBDMO C[C@@]1(CCCO)CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352884920 415359581 /nfs/dbraw/zinc/35/95/81/415359581.db2.gz BQRXUOPYJPBAMQ-KBPBESRZSA-N 1 1 312.370 0.779 20 5 DCBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1cc([N+](=O)[O-])c[nH]1 ZINC000342950150 415373742 /nfs/dbraw/zinc/37/37/42/415373742.db2.gz IODJTMOEYYXJCE-LLVKDONJSA-N 1 1 310.354 0.890 20 5 DCBDMO CCn1cc(S(=O)(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000353220626 415480517 /nfs/dbraw/zinc/48/05/17/415480517.db2.gz VFNQTVXQWIXSQL-DTORHVGOSA-N 1 1 317.371 0.182 20 5 DCBDMO CC[NH+]1CCN(CCCNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000343092304 415443065 /nfs/dbraw/zinc/44/30/65/415443065.db2.gz ATYVNBSPCJRVKV-UHFFFAOYSA-N 1 1 310.358 0.075 20 5 DCBDMO C[C@H](O)C[N@@H+](CCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000289931042 415739930 /nfs/dbraw/zinc/73/99/30/415739930.db2.gz UVGOGMQIQBAONI-AAEUAGOBSA-N 1 1 314.338 0.010 20 5 DCBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000291780750 415836765 /nfs/dbraw/zinc/83/67/65/415836765.db2.gz FOCYUGMSNIQUTD-LLVKDONJSA-N 1 1 310.354 0.601 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000120752134 415782131 /nfs/dbraw/zinc/78/21/31/415782131.db2.gz QFTLVHCJHFJSPI-CMPLNLGQSA-N 1 1 309.370 0.898 20 5 DCBDMO COC[C@]1(C(=O)OC)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000296380340 415923986 /nfs/dbraw/zinc/92/39/86/415923986.db2.gz RZQWBTPNTCJCOW-ZDUSSCGKSA-N 1 1 312.326 0.303 20 5 DCBDMO Cc1nc(NCCC[N@H+]2CCC[C@@H]2C(N)=O)ncc1[N+](=O)[O-] ZINC000297187557 415955518 /nfs/dbraw/zinc/95/55/18/415955518.db2.gz QLGAHXVTNAAACN-SNVBAGLBSA-N 1 1 308.342 0.445 20 5 DCBDMO O=C(NCC[NH+]1CCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000337582040 415980374 /nfs/dbraw/zinc/98/03/74/415980374.db2.gz JFYRQKCZIMVNIP-UHFFFAOYSA-N 1 1 316.321 0.611 20 5 DCBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000344764713 415984461 /nfs/dbraw/zinc/98/44/61/415984461.db2.gz XQVROKJNJKFPNG-JTQLQIEISA-N 1 1 306.326 0.749 20 5 DCBDMO C[NH+]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000155588932 415996794 /nfs/dbraw/zinc/99/67/94/415996794.db2.gz PJSYKTOPLAYFAU-CQSZACIVSA-N 1 1 304.350 0.948 20 5 DCBDMO Cc1nn(C)c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000299147551 416055394 /nfs/dbraw/zinc/05/53/94/416055394.db2.gz JXKAQWNDYFPYMR-MNOVXSKESA-N 1 1 307.354 0.993 20 5 DCBDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173365836 416056889 /nfs/dbraw/zinc/05/68/89/416056889.db2.gz LKWOWJOBNYTJIQ-BZPMIXESSA-N 1 1 309.370 0.321 20 5 DCBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[NH+](CCO)CC3)c21 ZINC000357341197 416064124 /nfs/dbraw/zinc/06/41/24/416064124.db2.gz VHQFDVXBYLCJSD-UHFFFAOYSA-N 1 1 303.322 0.652 20 5 DCBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@H](C)C1 ZINC000356899765 416002846 /nfs/dbraw/zinc/00/28/46/416002846.db2.gz DZTIUNKHARAZDR-MNOVXSKESA-N 1 1 310.354 0.460 20 5 DCBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@H](C)C1 ZINC000356899765 416002847 /nfs/dbraw/zinc/00/28/47/416002847.db2.gz DZTIUNKHARAZDR-MNOVXSKESA-N 1 1 310.354 0.460 20 5 DCBDMO CC(C)[C@H]1C[N@@H+](C)CCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357499967 416089047 /nfs/dbraw/zinc/08/90/47/416089047.db2.gz GDGFBCVUWQLWRX-LLVKDONJSA-N 1 1 307.354 0.865 20 5 DCBDMO NC(=O)c1cccc(N2CCN(c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000357684899 416116678 /nfs/dbraw/zinc/11/66/78/416116678.db2.gz XVLLRFKISGXVRZ-UHFFFAOYSA-N 1 1 316.321 0.743 20 5 DCBDMO CC[N@H+]1C[C@H](C)N(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000345740820 416142477 /nfs/dbraw/zinc/14/24/77/416142477.db2.gz PLEZMLORSMVFCE-NEPJUHHUSA-N 1 1 324.385 0.915 20 5 DCBDMO CC[N@H+]1CC[C@H]2OCCN(Cc3c([N+](=O)[O-])ncn3C)[C@H]2C1 ZINC000339385216 416157380 /nfs/dbraw/zinc/15/73/80/416157380.db2.gz NKFXJIPSDLQUPQ-WCQYABFASA-N 1 1 309.370 0.623 20 5 DCBDMO CCOC(=O)c1ccnc(NC[C@@]2(O)CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000358360212 416229728 /nfs/dbraw/zinc/22/97/28/416229728.db2.gz VQYSAOJPHVPCNV-AWEZNQCLSA-N 1 1 324.337 0.645 20 5 DCBDMO CC1(C)CCC[N@@H+](CCNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000331289183 416303297 /nfs/dbraw/zinc/30/32/97/416303297.db2.gz JDSWGKONNLWWKO-UHFFFAOYSA-N 1 1 310.358 0.425 20 5 DCBDMO [NH3+]CC(F)(F)CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415614601 416349709 /nfs/dbraw/zinc/34/97/09/416349709.db2.gz PMGPXRSUALVWNM-UHFFFAOYSA-N 1 1 320.227 0.383 20 5 DCBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccnc(N)c3[N+](=O)[O-])CC[C@H]21 ZINC000548714578 416690994 /nfs/dbraw/zinc/69/09/94/416690994.db2.gz XXDSEARAUUIWQS-ZYHUDNBSSA-N 1 1 319.365 1.128 20 5 DCBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000548715832 416691893 /nfs/dbraw/zinc/69/18/93/416691893.db2.gz CMTRRALSBIPLBA-SNVBAGLBSA-N 1 1 307.354 0.986 20 5 DCBDMO CC1(C)CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000614829313 416711753 /nfs/dbraw/zinc/71/17/53/416711753.db2.gz RAIQCXQSDJALNK-UHFFFAOYSA-N 1 1 322.365 0.587 20 5 DCBDMO CNc1nccc(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000564226408 416889162 /nfs/dbraw/zinc/88/91/62/416889162.db2.gz WYGJUSFRUBRNHW-CMPLNLGQSA-N 1 1 319.365 1.198 20 5 DCBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CCN1CCOC(C)(C)C1 ZINC000434712182 287356610 /nfs/dbraw/zinc/35/66/10/287356610.db2.gz URARAODDNKCRCX-UHFFFAOYSA-N 1 1 311.386 0.834 20 5 DCBDMO C[C@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC2(CCC2)O1 ZINC000568981384 417200804 /nfs/dbraw/zinc/20/08/04/417200804.db2.gz RSOBCJJQEXRFET-WCQYABFASA-N 1 1 310.354 0.796 20 5 DCBDMO Cc1nc(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)ncc1[N+](=O)[O-] ZINC000450299497 417215223 /nfs/dbraw/zinc/21/52/23/417215223.db2.gz BBOPBIFJBABFBN-LLVKDONJSA-N 1 1 322.369 0.693 20 5 DCBDMO CC(C)OC[C@@H](CO)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000433164982 417236922 /nfs/dbraw/zinc/23/69/22/417236922.db2.gz GZGOSSJDUPDIJX-CYBMUJFWSA-N 1 1 313.354 0.474 20 5 DCBDMO CO[C@@H]1C[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1O ZINC000451754148 417392774 /nfs/dbraw/zinc/39/27/74/417392774.db2.gz CRZZLSGTPZGKOL-ZIAGYGMSSA-N 1 1 323.349 0.923 20 5 DCBDMO CN(C)C(=O)N[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000451994620 417427669 /nfs/dbraw/zinc/42/76/69/417427669.db2.gz OEHNLWMTMLFGJA-LLVKDONJSA-N 1 1 310.358 0.527 20 5 DCBDMO CN(C)C(=O)N[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000451994620 417427674 /nfs/dbraw/zinc/42/76/74/417427674.db2.gz OEHNLWMTMLFGJA-LLVKDONJSA-N 1 1 310.358 0.527 20 5 DCBDMO CC[N@@H+](CCO)CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000183970972 261117383 /nfs/dbraw/zinc/11/73/83/261117383.db2.gz NDDNTOXADMPJGY-UHFFFAOYSA-N 1 1 311.338 0.404 20 5 DCBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000354385534 261212151 /nfs/dbraw/zinc/21/21/51/261212151.db2.gz IMFARWSFGMJYHE-LLVKDONJSA-N 1 1 309.370 0.679 20 5 DCBDMO COC(=O)c1cnc(NC[C@@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000354465348 261222612 /nfs/dbraw/zinc/22/26/12/261222612.db2.gz VLXBUJKBDFIQOJ-LLVKDONJSA-N 1 1 323.353 0.434 20 5 DCBDMO COC(=O)c1cnc(NC[C@@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000354465348 261222615 /nfs/dbraw/zinc/22/26/15/261222615.db2.gz VLXBUJKBDFIQOJ-LLVKDONJSA-N 1 1 323.353 0.434 20 5 DCBDMO O=C1CNCCN1[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000362686490 262060857 /nfs/dbraw/zinc/06/08/57/262060857.db2.gz AHPDDCVVFJYYHL-OAHLLOKOSA-N 1 1 318.377 0.991 20 5 DCBDMO O=C1CNCCN1[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000362686490 262060859 /nfs/dbraw/zinc/06/08/59/262060859.db2.gz AHPDDCVVFJYYHL-OAHLLOKOSA-N 1 1 318.377 0.991 20 5 DCBDMO C[C@H](O)C[N@@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411742579 262175784 /nfs/dbraw/zinc/17/57/84/262175784.db2.gz DXGNTFNJFNTTPI-NSHDSACASA-N 1 1 311.338 0.599 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC(F)(F)C[NH3+] ZINC000417188644 262247300 /nfs/dbraw/zinc/24/73/00/262247300.db2.gz VXWXWWMQKNXIRC-UHFFFAOYSA-N 1 1 318.280 0.997 20 5 DCBDMO CC(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000420985386 262389482 /nfs/dbraw/zinc/38/94/82/262389482.db2.gz KXMIQKATRGUDBU-TZMCWYRMSA-N 1 1 323.349 0.545 20 5 DCBDMO C[NH+](C)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000042476187 270935098 /nfs/dbraw/zinc/93/50/98/270935098.db2.gz GMOTTYVFWKYJNJ-NSHDSACASA-N 1 1 307.310 0.803 20 5 DCBDMO CC(C)[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC[N@H+]1C ZINC000487074036 272037317 /nfs/dbraw/zinc/03/73/17/272037317.db2.gz AOCRXDQAOGQFTQ-GFCCVEGCSA-N 1 1 307.354 0.865 20 5 DCBDMO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@H+]1C ZINC000489348525 272060701 /nfs/dbraw/zinc/06/07/01/272060701.db2.gz MOSKGUQWNDWMMW-GFCCVEGCSA-N 1 1 307.354 0.984 20 5 DCBDMO C[C@@H]1CC[N@@H+](CCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000525292569 272574474 /nfs/dbraw/zinc/57/44/74/272574474.db2.gz YMXWJNVQPPDUAK-LLVKDONJSA-N 1 1 309.370 0.984 20 5 DCBDMO Nc1c(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000547734120 288073930 /nfs/dbraw/zinc/07/39/30/288073930.db2.gz NOGJXRSFBSWFFW-UHFFFAOYSA-N 1 1 316.321 0.863 20 5 DCBDMO C[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)[NH+]1CCN(C)CC1 ZINC000302008290 534091654 /nfs/dbraw/zinc/09/16/54/534091654.db2.gz VEZFSEROMFKIAY-NSHDSACASA-N 1 1 319.369 0.685 20 5 DCBDMO C[N@@H+](CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C1CCCC1 ZINC000269749424 522851696 /nfs/dbraw/zinc/85/16/96/522851696.db2.gz ZKYUWMHVMZNLRP-UHFFFAOYSA-N 1 1 322.365 0.747 20 5 DCBDMO COCC[N@@H+](CCO)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266555378 523705138 /nfs/dbraw/zinc/70/51/38/523705138.db2.gz VQIMQXPZWBRDDI-UHFFFAOYSA-N 1 1 314.338 0.923 20 5 DCBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000267237746 523874374 /nfs/dbraw/zinc/87/43/74/523874374.db2.gz ICEKWOOPJMTWPO-JTQLQIEISA-N 1 1 308.338 0.628 20 5 DCBDMO C[C@H]1CSCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000190422408 524752188 /nfs/dbraw/zinc/75/21/88/524752188.db2.gz LBCVBQURENLKFH-PWSUYJOCSA-N 1 1 300.384 0.837 20 5 DCBDMO C[C@H](O)C[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000189725965 525756008 /nfs/dbraw/zinc/75/60/08/525756008.db2.gz YRXBITFICRYUDO-LBPRGKRZSA-N 1 1 307.350 0.662 20 5 DCBDMO CC(C)(C)[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000331329778 526678568 /nfs/dbraw/zinc/67/85/68/526678568.db2.gz QPQSHVFNZDHVML-STQMWFEESA-N 1 1 312.370 0.899 20 5 DCBDMO CC[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H]1C ZINC000825465733 607821726 /nfs/dbraw/zinc/82/17/26/607821726.db2.gz QIBXQHQOAHJTHV-VIFPVBQESA-N 1 1 318.341 0.700 20 5 DCBDMO O=C(N[C@H]1CCOC1)OC[C@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000930467616 659765484 /nfs/dbraw/zinc/76/54/84/659765484.db2.gz RRBKHRUNNRJEQJ-NWDGAFQWSA-N 1 1 301.343 0.633 20 5 DCBDMO O=C(N[C@H]1CCOC1)OC[C@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000930467616 659765487 /nfs/dbraw/zinc/76/54/87/659765487.db2.gz RRBKHRUNNRJEQJ-NWDGAFQWSA-N 1 1 301.343 0.633 20 5 DCBDMO COC(=O)[C@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000840500773 661655335 /nfs/dbraw/zinc/65/53/35/661655335.db2.gz XFZAURGWIVMELN-LLVKDONJSA-N 1 1 315.370 0.385 20 5 DCBDMO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)cn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983652641 661997852 /nfs/dbraw/zinc/99/78/52/661997852.db2.gz DXCYRQIGRGRADP-ICGCDAGXSA-N 1 1 322.340 0.870 20 5 DCBDMO CCc1nn(C)c(N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000895247497 662156152 /nfs/dbraw/zinc/15/61/52/662156152.db2.gz UTZBDABLKWUGQE-ZYHUDNBSSA-N 1 1 310.402 0.937 20 5 DCBDMO COc1c(O)ccc(CN2CC[N@H+](C)C[C@@H]2CO)c1[N+](=O)[O-] ZINC000895479300 662188150 /nfs/dbraw/zinc/18/81/50/662188150.db2.gz FSZWAZZBDHTLIS-LLVKDONJSA-N 1 1 311.338 0.417 20 5 DCBDMO COc1c(O)ccc(CN2CC[N@@H+](C)C[C@@H]2CO)c1[N+](=O)[O-] ZINC000895479300 662188152 /nfs/dbraw/zinc/18/81/52/662188152.db2.gz FSZWAZZBDHTLIS-LLVKDONJSA-N 1 1 311.338 0.417 20 5 DCBDMO C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@H](CO)C1 ZINC000912736491 664213747 /nfs/dbraw/zinc/21/37/47/664213747.db2.gz VZTPPTFLLNBPCE-SOUVJXGZSA-N 1 1 319.361 0.833 20 5 DCBDMO C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@H](CO)C1 ZINC000912736491 664213749 /nfs/dbraw/zinc/21/37/49/664213749.db2.gz VZTPPTFLLNBPCE-SOUVJXGZSA-N 1 1 319.361 0.833 20 5 DCBDMO NC(=O)C[NH+]1CCC(NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000132305004 666271906 /nfs/dbraw/zinc/27/19/06/666271906.db2.gz APRKGTMIUCXYNU-UHFFFAOYSA-N 1 1 324.312 0.413 20 5 DCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@H+](CCCO)C2)CC1 ZINC001035186317 667266187 /nfs/dbraw/zinc/26/61/87/667266187.db2.gz ATGVCOFMEHVKAX-CHWSQXEVSA-N 1 1 311.382 0.349 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC[N@@H+](CCCO)C2)CC1 ZINC001035186317 667266190 /nfs/dbraw/zinc/26/61/90/667266190.db2.gz ATGVCOFMEHVKAX-CHWSQXEVSA-N 1 1 311.382 0.349 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC[N@H+](CCCO)C2)CC1 ZINC001035186317 667266192 /nfs/dbraw/zinc/26/61/92/667266192.db2.gz ATGVCOFMEHVKAX-CHWSQXEVSA-N 1 1 311.382 0.349 20 5 DCBDMO Cc1cc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c(N)c([N+](=O)[O-])c1 ZINC000134984281 667561042 /nfs/dbraw/zinc/56/10/42/667561042.db2.gz UQWHXUSZSXMIIJ-GWCFXTLKSA-N 1 1 322.365 0.934 20 5 DCBDMO Cc1cc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c(N)c([N+](=O)[O-])c1 ZINC000134984281 667561046 /nfs/dbraw/zinc/56/10/46/667561046.db2.gz UQWHXUSZSXMIIJ-GWCFXTLKSA-N 1 1 322.365 0.934 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCc3ccccc3C2)n1 ZINC000871986139 667863099 /nfs/dbraw/zinc/86/30/99/667863099.db2.gz CVJDNGCPVMOTOG-ZDUSSCGKSA-N 1 1 303.322 0.606 20 5 DCBDMO O=[N+]([O-])c1cnn(CN2CC[NH+](CCc3cnccn3)CC2)c1 ZINC000872703150 667931003 /nfs/dbraw/zinc/93/10/03/667931003.db2.gz PGYAYDGLPDTQFO-UHFFFAOYSA-N 1 1 317.353 0.399 20 5 DCBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000758124589 668157139 /nfs/dbraw/zinc/15/71/39/668157139.db2.gz OWDFOXPEXSOIPE-SNVBAGLBSA-N 1 1 305.338 0.786 20 5 DCBDMO CN1CCN(CCC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877143888 668566651 /nfs/dbraw/zinc/56/66/51/668566651.db2.gz XDZKCXUKMFUSNO-UHFFFAOYSA-N 1 1 322.413 0.722 20 5 DCBDMO C[N@@H+](CC[N+](=O)[O-])CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000929682692 668720106 /nfs/dbraw/zinc/72/01/06/668720106.db2.gz JUWLNFYKKCNBSC-UHFFFAOYSA-N 1 1 316.402 0.748 20 5 DCBDMO C[N@H+](CC[N+](=O)[O-])CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000929682692 668720107 /nfs/dbraw/zinc/72/01/07/668720107.db2.gz JUWLNFYKKCNBSC-UHFFFAOYSA-N 1 1 316.402 0.748 20 5 DCBDMO NC(=O)N1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776581352 668878132 /nfs/dbraw/zinc/87/81/32/668878132.db2.gz HTUWRCYQNANNGS-ZDUSSCGKSA-N 1 1 308.338 0.715 20 5 DCBDMO NC(=O)N1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776581352 668878133 /nfs/dbraw/zinc/87/81/33/668878133.db2.gz HTUWRCYQNANNGS-ZDUSSCGKSA-N 1 1 308.338 0.715 20 5 DCBDMO CN(C)C(=O)NCC[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000777715875 668890600 /nfs/dbraw/zinc/89/06/00/668890600.db2.gz IZMJSLQTVPJJGU-ZDUSSCGKSA-N 1 1 310.354 0.831 20 5 DCBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)CC[N@H+]1CCO ZINC000777832944 668892164 /nfs/dbraw/zinc/89/21/64/668892164.db2.gz XIDBQTOIHJRTOW-SECBINFHSA-N 1 1 307.310 0.634 20 5 DCBDMO C[N@H+]1C[C@@H]2CN(C(=O)Nc3ccncc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000930622174 669048843 /nfs/dbraw/zinc/04/88/43/669048843.db2.gz ZLROUMBAKQNAFS-YGRLFVJLSA-N 1 1 305.338 0.827 20 5 DCBDMO C[N@H+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000931398742 669190874 /nfs/dbraw/zinc/19/08/74/669190874.db2.gz UDVZXICAVFLDIQ-CQSZACIVSA-N 1 1 309.366 0.972 20 5 DCBDMO CN1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000931398742 669190878 /nfs/dbraw/zinc/19/08/78/669190878.db2.gz UDVZXICAVFLDIQ-CQSZACIVSA-N 1 1 309.366 0.972 20 5 DCBDMO CN1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000931398742 669190881 /nfs/dbraw/zinc/19/08/81/669190881.db2.gz UDVZXICAVFLDIQ-CQSZACIVSA-N 1 1 309.366 0.972 20 5 DCBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCOC[C@H]2C[C@@H]2CCOC2)n1 ZINC000933672159 669517978 /nfs/dbraw/zinc/51/79/78/669517978.db2.gz SMSTYQCMRFBZOY-QWHCGFSZSA-N 1 1 310.354 0.919 20 5 DCBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCOC[C@H]2C[C@@H]2CCOC2)n1 ZINC000933672159 669517981 /nfs/dbraw/zinc/51/79/81/669517981.db2.gz SMSTYQCMRFBZOY-QWHCGFSZSA-N 1 1 310.354 0.919 20 5 DCBDMO C[C@H]1CSCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000934301083 669592880 /nfs/dbraw/zinc/59/28/80/669592880.db2.gz SSCTVHYPXWXDSS-JQWIXIFHSA-N 1 1 300.384 0.980 20 5 DCBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848306390 670666079 /nfs/dbraw/zinc/66/60/79/670666079.db2.gz RCFNOTBNOADUOT-DTWKUNHWSA-N 1 1 324.312 0.207 20 5 DCBDMO CC[N@@H+](CCNS(=O)(=O)c1ncccc1[N+](=O)[O-])C(C)C ZINC000849388019 670786012 /nfs/dbraw/zinc/78/60/12/670786012.db2.gz PEPDIBZTTJSVKH-UHFFFAOYSA-N 1 1 316.383 0.998 20 5 DCBDMO CN(C(=O)C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000860161081 671186095 /nfs/dbraw/zinc/18/60/95/671186095.db2.gz QOFSYVJIAAOPQM-ZWNOBZJWSA-N 1 1 319.317 0.662 20 5 DCBDMO CN(C(=O)C[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000860161081 671186096 /nfs/dbraw/zinc/18/60/96/671186096.db2.gz QOFSYVJIAAOPQM-ZWNOBZJWSA-N 1 1 319.317 0.662 20 5 DCBDMO O=C1OC[C@H]2C[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000860165536 671186268 /nfs/dbraw/zinc/18/62/68/671186268.db2.gz XJCXBTDAHHNFIK-IJLUTSLNSA-N 1 1 322.317 0.439 20 5 DCBDMO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CC2)CC1 ZINC000825466998 671462737 /nfs/dbraw/zinc/46/27/37/671462737.db2.gz KZTWEFMGVLBTSJ-AWEZNQCLSA-N 1 1 305.334 0.935 20 5 DCBDMO COCC[N@H+]1CC[C@@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825763669 671471573 /nfs/dbraw/zinc/47/15/73/671471573.db2.gz AQTZKBUKWCMVBM-OCCSQVGLSA-N 1 1 323.349 0.465 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000827191368 671517829 /nfs/dbraw/zinc/51/78/29/671517829.db2.gz CLGXKTSOFITDPY-LBPRGKRZSA-N 1 1 309.370 0.948 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000827598728 671533331 /nfs/dbraw/zinc/53/33/31/671533331.db2.gz UGACGCDBJGMBCT-GASCZTMLSA-N 1 1 321.381 0.900 20 5 DCBDMO CC(C)(CCC(=O)N1CC[N@@H+](CCO)C(C)(C)C1)[N+](=O)[O-] ZINC000829687540 671584048 /nfs/dbraw/zinc/58/40/48/671584048.db2.gz LCGNFEREFIEXHE-UHFFFAOYSA-N 1 1 301.387 0.737 20 5 DCBDMO C[C@@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000830014565 671604453 /nfs/dbraw/zinc/60/44/53/671604453.db2.gz WVKHLYRQBRRETP-RISCZKNCSA-N 1 1 323.349 0.153 20 5 DCBDMO C[C@@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000830014565 671604455 /nfs/dbraw/zinc/60/44/55/671604455.db2.gz WVKHLYRQBRRETP-RISCZKNCSA-N 1 1 323.349 0.153 20 5 DCBDMO O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H](CO)C[NH+]2CCCC2)c1 ZINC000843118115 672064416 /nfs/dbraw/zinc/06/44/16/672064416.db2.gz WOYBRPGOBFCMFY-HIFRSBDPSA-N 1 1 309.366 0.675 20 5 DCBDMO C[NH2+]Cc1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000843224787 672072127 /nfs/dbraw/zinc/07/21/27/672072127.db2.gz UIPBCLSTQLCTQD-UHFFFAOYSA-N 1 1 305.294 0.556 20 5 DCBDMO O=C(NC1CC2(C1)CC([NH2+]Cc1ccon1)C2)[C@@H]1CC1[N+](=O)[O-] ZINC000963788952 689095638 /nfs/dbraw/zinc/09/56/38/689095638.db2.gz UVGIWECWYBRFEY-UBDGZGRMSA-N 1 1 320.349 0.857 20 5 DCBDMO Cc1noc(CCC[NH2+]CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001691315083 1157639128 /nfs/dbraw/zinc/63/91/28/1157639128.db2.gz SQKYBAURYVTYFT-GHMZBOCLSA-N 1 1 311.342 0.024 20 5 DCBDMO C[NH+](C)[C@@H]1C[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC001120520609 1159057499 /nfs/dbraw/zinc/05/74/99/1159057499.db2.gz YFICNNIKCZEFMH-RWMBFGLXSA-N 1 1 311.386 0.471 20 5 DCBDMO CCN(CC)C(=O)CNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001577675157 1164761775 /nfs/dbraw/zinc/76/17/75/1164761775.db2.gz WFKWGTRCSWSIGQ-OAHLLOKOSA-N 1 1 322.365 0.753 20 5 DCBDMO CN(C[C@H]1C[C@@H](O)C1)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001578485741 1165032558 /nfs/dbraw/zinc/03/25/58/1165032558.db2.gz DXOCJDPGLYJGSO-RIEGTJTDSA-N 1 1 307.350 0.998 20 5 DCBDMO Nc1ncc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC001583990106 1166298576 /nfs/dbraw/zinc/29/85/76/1166298576.db2.gz XJDLDIJIDHXBPS-WDEREUQCSA-N 1 1 321.337 0.165 20 5 DCBDMO CC1CC[NH+](CCn2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)CC1 ZINC001590270927 1166831873 /nfs/dbraw/zinc/83/18/73/1166831873.db2.gz CFQWFSDQMOICPP-UHFFFAOYSA-N 1 1 306.330 0.703 20 5 DCBDMO CN(CC[N@@H+](C)CCO)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001591108113 1167106760 /nfs/dbraw/zinc/10/67/60/1167106760.db2.gz ZZXQACMTBXNYHM-UHFFFAOYSA-N 1 1 321.341 0.135 20 5 DCBDMO CO[C@H]1CC[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001591474740 1167306173 /nfs/dbraw/zinc/30/61/73/1167306173.db2.gz PLCJXTMKPKQLCV-VIFPVBQESA-N 1 1 304.310 0.996 20 5 DCBDMO C[N@@H+](CCO)CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001596047914 1167986646 /nfs/dbraw/zinc/98/66/46/1167986646.db2.gz HQJXUKYXBWIZQU-UHFFFAOYSA-N 1 1 320.349 0.659 20 5 DCBDMO CC[C@H](CO)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609191104 1170861157 /nfs/dbraw/zinc/86/11/57/1170861157.db2.gz HMGRHHWWOQTSOP-LLVKDONJSA-N 1 1 306.326 0.978 20 5 DCBDMO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC001609602345 1171039650 /nfs/dbraw/zinc/03/96/50/1171039650.db2.gz KBAZDXRDQLBEGY-GFCCVEGCSA-N 1 1 316.321 0.732 20 5 DCBDMO Cn1ncc([N+](=O)[O-])c1NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001611905037 1171358682 /nfs/dbraw/zinc/35/86/82/1171358682.db2.gz CJLPOBNEZKVKHQ-JTQLQIEISA-N 1 1 310.358 0.328 20 5 DCBDMO Cc1noc(C[N@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)c1[N+](=O)[O-] ZINC001620487816 1171403996 /nfs/dbraw/zinc/40/39/96/1171403996.db2.gz FRLCAIMYCWOSDX-BETUJISGSA-N 1 1 308.294 0.376 20 5 DCBDMO NC(=O)[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccn1 ZINC001621351487 1171409084 /nfs/dbraw/zinc/40/90/84/1171409084.db2.gz OSHVFEMTJWBRSK-SRHKJQAYSA-N 1 1 316.321 0.706 20 5 DCBDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001629833621 1171559240 /nfs/dbraw/zinc/55/92/40/1171559240.db2.gz FVMDJCNVJQQXGF-HIFRSBDPSA-N 1 1 322.365 0.578 20 5 DCBDMO CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC001633524974 1171645378 /nfs/dbraw/zinc/64/53/78/1171645378.db2.gz ZLPWIJSQLLDALB-VIFPVBQESA-N 1 1 323.334 0.467 20 5 DCBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001636511571 1171739480 /nfs/dbraw/zinc/73/94/80/1171739480.db2.gz YLMQXTPREGCWIZ-GFCCVEGCSA-N 1 1 322.365 0.699 20 5 DCBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001636511571 1171739487 /nfs/dbraw/zinc/73/94/87/1171739487.db2.gz YLMQXTPREGCWIZ-GFCCVEGCSA-N 1 1 322.365 0.699 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001637318500 1171761729 /nfs/dbraw/zinc/76/17/29/1171761729.db2.gz ZTHQLOBCLVLYSP-QWRGUYRKSA-N 1 1 311.317 0.354 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001637318500 1171761734 /nfs/dbraw/zinc/76/17/34/1171761734.db2.gz ZTHQLOBCLVLYSP-QWRGUYRKSA-N 1 1 311.317 0.354 20 5 DCBDMO C[N@@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1CO ZINC001642566710 1171949614 /nfs/dbraw/zinc/94/96/14/1171949614.db2.gz IJVPBJDZTABBTD-NSHDSACASA-N 1 1 318.333 0.825 20 5 DCBDMO C[N@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1CO ZINC001642566710 1171949621 /nfs/dbraw/zinc/94/96/21/1171949621.db2.gz IJVPBJDZTABBTD-NSHDSACASA-N 1 1 318.333 0.825 20 5 DCBDMO COC(=O)[C@]1(O)CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001644291294 1172001134 /nfs/dbraw/zinc/00/11/34/1172001134.db2.gz CPGMWSTVNXFYDX-AWEZNQCLSA-N 1 1 310.306 0.583 20 5 DCBDMO C[C@@H](C(=O)N1CC([NH2+]C2COC2)C1)c1cccc([N+](=O)[O-])c1 ZINC001648030439 1173064559 /nfs/dbraw/zinc/06/45/59/1173064559.db2.gz XDBIKXGJCBSEGA-SNVBAGLBSA-N 1 1 305.334 0.898 20 5 DCBDMO COCC[NH+](CCOC)C1CN(c2nn(C)cc2[N+](=O)[O-])C1 ZINC001652003857 1173760352 /nfs/dbraw/zinc/76/03/52/1173760352.db2.gz BPLMGLBWPIVNFR-UHFFFAOYSA-N 1 1 313.358 0.112 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(c3nccc(C(N)=O)c3[N+](=O)[O-])C[C@@H]2C1 ZINC001652002379 1173760440 /nfs/dbraw/zinc/76/04/40/1173760440.db2.gz WDAJTDAFDGMRAP-ZJUUUORDSA-N 1 1 305.338 0.477 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H]3[C@H](C2)C3(F)F)c1 ZINC001653830407 1173795276 /nfs/dbraw/zinc/79/52/76/1173795276.db2.gz NVILNFCNEJAOPT-MXWKQRLJSA-N 1 1 302.281 0.739 20 5 DCBDMO COC(=O)[C@@]1(O)CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC001659929076 1173936197 /nfs/dbraw/zinc/93/61/97/1173936197.db2.gz LVFJZVDSUVEIPR-CQSZACIVSA-N 1 1 310.306 0.583 20 5 DCBDMO COc1c(O)ccc(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)c1[N+](=O)[O-] ZINC001665289667 1174502556 /nfs/dbraw/zinc/50/25/56/1174502556.db2.gz IPPZKDLPRODJPA-HZMBPMFUSA-N 1 1 312.322 0.627 20 5 DCBDMO COc1c(O)ccc(C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)c1[N+](=O)[O-] ZINC001665289667 1174502561 /nfs/dbraw/zinc/50/25/61/1174502561.db2.gz IPPZKDLPRODJPA-HZMBPMFUSA-N 1 1 312.322 0.627 20 5 DCBDMO O=C(N[C@H]1C[C@@H]([NH2+]CCOc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001690336592 1177216953 /nfs/dbraw/zinc/21/69/53/1177216953.db2.gz LCKUOBZRGPLDIO-AYRXBEOTSA-N 1 1 319.361 0.967 20 5 DCBDMO CN(CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cn[nH]n1 ZINC001698990868 1177753622 /nfs/dbraw/zinc/75/36/22/1177753622.db2.gz LRHXSPKDTJEASG-UHFFFAOYSA-N 1 1 318.337 0.917 20 5 DCBDMO C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)NC(C)(C)C ZINC001712945342 1180574802 /nfs/dbraw/zinc/57/48/02/1180574802.db2.gz BOSNRBUKFCXFQH-GHMZBOCLSA-N 1 1 314.386 0.004 20 5 DCBDMO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1cnn[nH]1 ZINC001723531950 1184325387 /nfs/dbraw/zinc/32/53/87/1184325387.db2.gz UFHMUUITVYVGDF-UHFFFAOYSA-N 1 1 316.321 0.765 20 5 DCBDMO CC(C)CC[NH+]1CCC(CO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001725018384 1184658943 /nfs/dbraw/zinc/65/89/43/1184658943.db2.gz ZNJSTAFMJHBACQ-CHWSQXEVSA-N 1 1 313.398 0.641 20 5 DCBDMO C[N@@H+](CCNC(=O)CCNC(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001731793549 1185492459 /nfs/dbraw/zinc/49/24/59/1185492459.db2.gz YPFUHPXPYPDMSW-UHFFFAOYSA-N 1 1 323.353 0.201 20 5 DCBDMO CN(CCC[NH2+]Cc1ccc(F)cn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001733099231 1186137417 /nfs/dbraw/zinc/13/74/17/1186137417.db2.gz LMIRSRAIZCDPLG-CHWSQXEVSA-N 1 1 310.329 0.824 20 5 DCBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC001164666309 719375233 /nfs/dbraw/zinc/37/52/33/719375233.db2.gz DVMQZBJBFQRHQA-NEPJUHHUSA-N 1 1 322.321 0.296 20 5 DCBDMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])c(N)n1 ZINC001164925628 721868881 /nfs/dbraw/zinc/86/88/81/721868881.db2.gz OXGWENSKAFTQDB-NWDGAFQWSA-N 1 1 320.397 0.787 20 5 DCBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])c(N)n1 ZINC001164925628 721868882 /nfs/dbraw/zinc/86/88/82/721868882.db2.gz OXGWENSKAFTQDB-NWDGAFQWSA-N 1 1 320.397 0.787 20 5 DCBDMO Cc1nc(N2CC[NH+](C[C@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC001165045167 721923169 /nfs/dbraw/zinc/92/31/69/721923169.db2.gz ZAQGSUCJAVJBQI-GFCCVEGCSA-N 1 1 307.354 0.994 20 5 DCBDMO Cc1nocc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048812460 754955013 /nfs/dbraw/zinc/95/50/13/754955013.db2.gz KJKRAMALBIGMIU-ZMJPVWNMSA-N 1 1 320.349 0.538 20 5 DCBDMO Cc1nocc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001048812460 754955020 /nfs/dbraw/zinc/95/50/20/754955020.db2.gz KJKRAMALBIGMIU-ZMJPVWNMSA-N 1 1 320.349 0.538 20 5 DCBDMO Cc1nocc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001048812460 754955023 /nfs/dbraw/zinc/95/50/23/754955023.db2.gz KJKRAMALBIGMIU-ZMJPVWNMSA-N 1 1 320.349 0.538 20 5 DCBDMO COc1ccc(C[C@H](C)[NH2+]C2CS(=O)(=O)C2)c([N+](=O)[O-])c1 ZINC001170299174 762595739 /nfs/dbraw/zinc/59/57/39/762595739.db2.gz RNNXINRUANFHCM-VIFPVBQESA-N 1 1 314.363 0.921 20 5 DCBDMO Cc1cc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)on1 ZINC001086363432 760101056 /nfs/dbraw/zinc/10/10/56/760101056.db2.gz TZTHUPWGENIIBA-FPQZTECRSA-N 1 1 308.338 0.633 20 5 DCBDMO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccccn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363516 760102418 /nfs/dbraw/zinc/10/24/18/760102418.db2.gz YXRLDXYDZXPIPH-FMKGYKFTSA-N 1 1 304.350 0.731 20 5 DCBDMO Cc1occc1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001123282131 767957415 /nfs/dbraw/zinc/95/74/15/767957415.db2.gz RWCPZTUSPFVREH-UHFFFAOYSA-N 1 1 307.310 0.749 20 5 DCBDMO O=C1NC(=O)C2(C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H]2CC[C@H](C[N+](=O)[O-])C2)N1 ZINC001169048987 760563613 /nfs/dbraw/zinc/56/36/13/760563613.db2.gz VQYRSPQGQXRPIM-VQHIRFFYSA-N 1 1 322.365 0.637 20 5 DCBDMO CNC(=O)C[NH+]1CCC(Nc2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001161139961 768028654 /nfs/dbraw/zinc/02/86/54/768028654.db2.gz SSVIZVZQBMNMFS-UHFFFAOYSA-N 1 1 308.342 0.194 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001132678698 764577725 /nfs/dbraw/zinc/57/77/25/764577725.db2.gz HJMJSVBDYOKEAK-URLYPYJESA-N 1 1 307.354 0.580 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)C1CC2(CC2)C1 ZINC001133646571 765064512 /nfs/dbraw/zinc/06/45/12/765064512.db2.gz RANDJRVGHALCCY-UHFFFAOYSA-N 1 1 307.354 0.724 20 5 DCBDMO Cc1nc(C)c(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)[nH]1 ZINC001133989176 765273033 /nfs/dbraw/zinc/27/30/33/765273033.db2.gz LRMFRIIABNIDFH-UHFFFAOYSA-N 1 1 321.341 0.188 20 5 DCBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)n1 ZINC001135244446 765850135 /nfs/dbraw/zinc/85/01/35/765850135.db2.gz ABFBNKQDFIXKPG-GMTAPVOTSA-N 1 1 307.354 0.881 20 5 DCBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001136823058 766548806 /nfs/dbraw/zinc/54/88/06/766548806.db2.gz VTBFIALJLIZIJO-SNVBAGLBSA-N 1 1 308.338 0.628 20 5 DCBDMO CC(C)OCC[NH+]1CCN(c2nnc(C[N+](=O)[O-])n2C)CC1 ZINC001121297518 767503304 /nfs/dbraw/zinc/50/33/04/767503304.db2.gz BHQDFMIJFNGIAO-UHFFFAOYSA-N 1 1 312.374 0.139 20 5 DCBDMO C[C@@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC001154043167 770055734 /nfs/dbraw/zinc/05/57/34/770055734.db2.gz RYJNFXPVMUYSGQ-SECBINFHSA-N 1 1 305.338 0.952 20 5 DCBDMO C[NH+](C)CCNc1nc(S(C)(=O)=O)nc(Cl)c1[N+](=O)[O-] ZINC001161666522 772262123 /nfs/dbraw/zinc/26/21/23/772262123.db2.gz QLTNMHNRAOVRSL-UHFFFAOYSA-N 1 1 323.762 0.415 20 5 DCBDMO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cnn[nH]1 ZINC001161691626 772266907 /nfs/dbraw/zinc/26/69/07/772266907.db2.gz UIMLUYOLFZCTTM-UHFFFAOYSA-N 1 1 310.339 0.684 20 5 DCBDMO NC(=O)[C@@H]1CN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])CC[NH2+]1 ZINC001162061949 772321753 /nfs/dbraw/zinc/32/17/53/772321753.db2.gz JWFOOWGUPXZENF-NSHDSACASA-N 1 1 319.296 0.546 20 5 DCBDMO CN(C)C(=O)C[NH+]1CCC(Nc2nn(C)cc2[N+](=O)[O-])CC1 ZINC001162430737 772371428 /nfs/dbraw/zinc/37/14/28/772371428.db2.gz JMUXMEXBAAHJQQ-UHFFFAOYSA-N 1 1 310.358 0.293 20 5 DCBDMO Cn1ccnc1C[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164490246 772667574 /nfs/dbraw/zinc/66/75/74/772667574.db2.gz FPOWFSNEODXJOV-VXGBXAGGSA-N 1 1 321.381 0.461 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001196095095 773538648 /nfs/dbraw/zinc/53/86/48/773538648.db2.gz UOMLBBURGDXTPA-WQAKAFBOSA-N 1 1 320.349 0.483 20 5 DCBDMO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ncncc3[N+](=O)[O-])C[C@H]1[N@H+]2C ZINC001228655917 776109295 /nfs/dbraw/zinc/10/92/95/776109295.db2.gz XMJXVOWXNVZPOM-KQXIARHKSA-N 1 1 322.321 0.930 20 5 DCBDMO COc1cc(C[NH2+]CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])ccn1 ZINC001483463986 942372100 /nfs/dbraw/zinc/37/21/00/942372100.db2.gz BVRJABVLBYRDGZ-CHWSQXEVSA-N 1 1 322.365 0.694 20 5 DCBDMO NC(=O)C(=O)NCCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001316922546 944649671 /nfs/dbraw/zinc/64/96/71/944649671.db2.gz YUFHKEVCPCFMNZ-UHFFFAOYSA-N 1 1 320.349 0.551 20 5 DCBDMO COC(=O)C[N@@H+](CC(C)C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001323798638 947209595 /nfs/dbraw/zinc/20/95/95/947209595.db2.gz TYFIFEPMLWOCNU-LBPRGKRZSA-N 1 1 314.342 0.283 20 5 DCBDMO C[C@H]1C[C@@H](N(C)C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC001324267986 947372165 /nfs/dbraw/zinc/37/21/65/947372165.db2.gz SZCMZCRRZJWRHB-RYUDHWBXSA-N 1 1 322.365 0.698 20 5 DCBDMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCc1ccccc1[N+](=O)[O-] ZINC001263709191 948737276 /nfs/dbraw/zinc/73/72/76/948737276.db2.gz KGHPQTJQZMDIGY-SMDDNHRTSA-N 1 1 304.350 0.599 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N(CCO)CC[NH2+]CC1CC(F)(F)C1 ZINC001279711193 950679880 /nfs/dbraw/zinc/67/98/80/950679880.db2.gz LGGBJVIRZSETPG-GHMZBOCLSA-N 1 1 321.324 0.107 20 5 DCBDMO Cc1nn(C)c(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC001331612654 951193861 /nfs/dbraw/zinc/19/38/61/951193861.db2.gz MGWHJIDMJZEOCH-GXSJLCMTSA-N 1 1 324.385 0.001 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC001338462067 953016865 /nfs/dbraw/zinc/01/68/65/953016865.db2.gz KZOBBLMYQYIWTL-DRZSPHRISA-N 1 1 307.354 0.638 20 5 DCBDMO CCOCC[NH+]1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2C)CC1 ZINC001339540892 953101381 /nfs/dbraw/zinc/10/13/81/953101381.db2.gz FNZZCUSDDBKGRA-NSHDSACASA-N 1 1 312.374 0.311 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC001341044679 953208381 /nfs/dbraw/zinc/20/83/81/953208381.db2.gz MCINBSSURPASAG-NEPJUHHUSA-N 1 1 307.354 0.843 20 5 DCBDMO CN1CC[NH+](C(C)(C)CNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC001292956703 957214385 /nfs/dbraw/zinc/21/43/85/957214385.db2.gz QQJBSVCVYDBCGE-UHFFFAOYSA-N 1 1 314.430 0.964 20 5 DCBDMO C[N@H+]1CC[C@@H]1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001303898374 960070395 /nfs/dbraw/zinc/07/03/95/960070395.db2.gz HJWAFOKYZSQZBA-GFCCVEGCSA-N 1 1 306.322 0.145 20 5 DCBDMO O=C1NCCn2c(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)nnc21 ZINC001308917045 960187498 /nfs/dbraw/zinc/18/74/98/960187498.db2.gz FQOFFBOEIJMGGA-UHFFFAOYSA-N 1 1 316.321 0.262 20 5 DCBDMO CC1(C)[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC001469717018 1016359436 /nfs/dbraw/zinc/35/94/36/1016359436.db2.gz PZISCVGHTOXNKN-QWRGUYRKSA-N 1 1 323.353 0.547 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[NH+](C(C)(C)CO)CC2)n1 ZINC001546338583 1016814437 /nfs/dbraw/zinc/81/44/37/1016814437.db2.gz BVDBPNBBTSSDKA-UHFFFAOYSA-N 1 1 322.365 0.827 20 5 DCBDMO COc1nc(Cl)c(C[NH2+]CCn2cc([N+](=O)[O-])cn2)n1C ZINC001474055010 1017001250 /nfs/dbraw/zinc/00/12/50/1017001250.db2.gz WYUKQPDTWILUNY-UHFFFAOYSA-N 1 1 314.733 0.977 20 5 DCBDMO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001452655848 1006971069 /nfs/dbraw/zinc/97/10/69/1006971069.db2.gz BZTODCZQZCALMM-WDEREUQCSA-N 1 1 306.322 0.068 20 5 DCBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001454608493 1009225073 /nfs/dbraw/zinc/22/50/73/1009225073.db2.gz LROGLVJGISEEOX-JTQLQIEISA-N 1 1 323.353 0.147 20 5 DCBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC[N@@H+]1CCO ZINC001556297290 1012197514 /nfs/dbraw/zinc/19/75/14/1012197514.db2.gz XPICCACRFNUCCE-JTQLQIEISA-N 1 1 308.338 0.316 20 5 DCBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC[N@H+]1CCO ZINC001556297290 1012197523 /nfs/dbraw/zinc/19/75/23/1012197523.db2.gz XPICCACRFNUCCE-JTQLQIEISA-N 1 1 308.338 0.316 20 5 DCBDMO C[C@@H]1[C@@H](NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC[N@H+]1C ZINC001558424812 1012357104 /nfs/dbraw/zinc/35/71/04/1012357104.db2.gz BKZBFOLSGYKCGX-PWSUYJOCSA-N 1 1 321.333 0.995 20 5 DCBDMO CC(C)(O)[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001460753634 1012964329 /nfs/dbraw/zinc/96/43/29/1012964329.db2.gz YMCDLOQMSSNWJM-WCQYABFASA-N 1 1 312.370 0.635 20 5 DCBDMO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCNC(=O)C2)cc1[N+](=O)[O-] ZINC000181840109 199360169 /nfs/dbraw/zinc/36/01/69/199360169.db2.gz KUMRSRGINRTBSW-NSHDSACASA-N 1 1 320.349 0.512 20 5 DCBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@@H+]1CC(C)(C)O ZINC000286919787 219225389 /nfs/dbraw/zinc/22/53/89/219225389.db2.gz ZEMCRMNDLQCDTB-SECBINFHSA-N 1 1 311.342 0.235 20 5 DCBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@H+]1CC(C)(C)O ZINC000286919787 219225391 /nfs/dbraw/zinc/22/53/91/219225391.db2.gz ZEMCRMNDLQCDTB-SECBINFHSA-N 1 1 311.342 0.235 20 5 DCBDMO NC(=O)[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000073021305 191269880 /nfs/dbraw/zinc/26/98/80/191269880.db2.gz RIYXBHBYPFITSV-TZMCWYRMSA-N 1 1 323.349 0.674 20 5 DCBDMO NC(=O)[C@H]1CCCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000073021305 191269882 /nfs/dbraw/zinc/26/98/82/191269882.db2.gz RIYXBHBYPFITSV-TZMCWYRMSA-N 1 1 323.349 0.674 20 5 DCBDMO C[N@@H+]1CCO[C@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000174443283 198335733 /nfs/dbraw/zinc/33/57/33/198335733.db2.gz OSZFZMHQOSQESH-ZDUSSCGKSA-N 1 1 308.338 0.454 20 5 DCBDMO C[N@H+]1CCO[C@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 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20 5 DCBDMO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000368050081 159371986 /nfs/dbraw/zinc/37/19/86/159371986.db2.gz YPOHUGKVNFLIHK-GHMZBOCLSA-N 1 1 320.349 0.770 20 5 DCBDMO COC(=O)[C@]1(C)CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000249539828 287113166 /nfs/dbraw/zinc/11/31/66/287113166.db2.gz DPSJLWOUBZLUPA-YPMHNXCESA-N 1 1 312.326 0.180 20 5 DCBDMO COC(=O)[C@]1(C)CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000249539828 287113170 /nfs/dbraw/zinc/11/31/70/287113170.db2.gz DPSJLWOUBZLUPA-YPMHNXCESA-N 1 1 312.326 0.180 20 5 DCBDMO COCC[N@@H+](C)CCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269504570 415252850 /nfs/dbraw/zinc/25/28/50/415252850.db2.gz ZPQOGBLITQNWRZ-UHFFFAOYSA-N 1 1 313.358 0.749 20 5 DCBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352678071 415274478 /nfs/dbraw/zinc/27/44/78/415274478.db2.gz WZYPMDZWNVNHII-VZAFDTFASA-N 1 1 322.365 0.507 20 5 DCBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH2+]C[C@H]1C ZINC000054371751 415325144 /nfs/dbraw/zinc/32/51/44/415325144.db2.gz UQHIJMPSXVGVKH-SECBINFHSA-N 1 1 315.351 0.586 20 5 DCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000281585979 415554021 /nfs/dbraw/zinc/55/40/21/415554021.db2.gz MVZCNAGGVIAACF-NXEZZACHSA-N 1 1 324.337 0.223 20 5 DCBDMO Cc1nn(CCC(=O)NC[C@@H]2CC[N@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000104185211 415623828 /nfs/dbraw/zinc/62/38/28/415623828.db2.gz DXVOVYVEPBKCSW-LBPRGKRZSA-N 1 1 309.370 0.866 20 5 DCBDMO CN(CC[N@@H+](C)C1CC1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000354084778 415750078 /nfs/dbraw/zinc/75/00/78/415750078.db2.gz ZXHUTBCSPFXZSH-UHFFFAOYSA-N 1 1 308.338 0.309 20 5 DCBDMO CNc1c(C(=O)NCC[N@@H+](C)CCOC)cccc1[N+](=O)[O-] ZINC000336860286 415842914 /nfs/dbraw/zinc/84/29/14/415842914.db2.gz PLZDRJQJKICUSM-UHFFFAOYSA-N 1 1 310.354 0.945 20 5 DCBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000356738898 415979646 /nfs/dbraw/zinc/97/96/46/415979646.db2.gz FRFUMAKZVGLXBO-MNOVXSKESA-N 1 1 307.354 0.885 20 5 DCBDMO C[N@H+]1CCCC[C@@H]1CCn1cc([N+](=O)[O-])cc(C(N)=O)c1=O ZINC000298523879 416012721 /nfs/dbraw/zinc/01/27/21/416012721.db2.gz VINSZRSEFFSKDX-SNVBAGLBSA-N 1 1 308.338 0.730 20 5 DCBDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2c2ncccc2[N+](=O)[O-])CC1 ZINC000301305512 416080559 /nfs/dbraw/zinc/08/05/59/416080559.db2.gz ZRFCVPZWVFPSGD-ZDUSSCGKSA-N 1 1 319.365 0.733 20 5 DCBDMO C[N@@H+](CCCS(N)(=O)=O)CCc1cccc([N+](=O)[O-])c1 ZINC000338363362 416084686 /nfs/dbraw/zinc/08/46/86/416084686.db2.gz UXBKHKDXDQEDNP-UHFFFAOYSA-N 1 1 301.368 0.748 20 5 DCBDMO NC(=O)c1ccnc(N[C@@H]2CCn3cc[nH+]c3C2)c1[N+](=O)[O-] ZINC000357464564 416085109 /nfs/dbraw/zinc/08/51/09/416085109.db2.gz FQCPSICJJQVINO-MRVPVSSYSA-N 1 1 302.294 0.712 20 5 DCBDMO NC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000302878500 416100873 /nfs/dbraw/zinc/10/08/73/416100873.db2.gz XAIWNCKXJNLLID-AAEUAGOBSA-N 1 1 309.322 0.284 20 5 DCBDMO NC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000302878500 416100878 /nfs/dbraw/zinc/10/08/78/416100878.db2.gz XAIWNCKXJNLLID-AAEUAGOBSA-N 1 1 309.322 0.284 20 5 DCBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000358043833 416177044 /nfs/dbraw/zinc/17/70/44/416177044.db2.gz AWRXVHGETFYJAJ-OAHLLOKOSA-N 1 1 318.333 0.873 20 5 DCBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000331467855 416317656 /nfs/dbraw/zinc/31/76/56/416317656.db2.gz HTOFUTBTIDQAJV-UFBFGSQYSA-N 1 1 305.338 0.785 20 5 DCBDMO NC(=O)c1cccc([N+](=O)[O-])c1N1CC[NH+](CCCO)CC1 ZINC000420589731 416419117 /nfs/dbraw/zinc/41/91/17/416419117.db2.gz UVWQFBDKALNYTK-UHFFFAOYSA-N 1 1 308.338 0.198 20 5 DCBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccnc(N)c1[N+](=O)[O-])C2 ZINC000597709729 416596518 /nfs/dbraw/zinc/59/65/18/416596518.db2.gz ANNPRQQBBWUGBH-OAHLLOKOSA-N 1 1 319.365 1.130 20 5 DCBDMO Nc1nc(NCC[NH+]2Cc3ccccc3C2)ncc1[N+](=O)[O-] ZINC000604482891 416639772 /nfs/dbraw/zinc/63/97/72/416639772.db2.gz FPUOOAORBYLDID-UHFFFAOYSA-N 1 1 300.322 0.817 20 5 DCBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000424992492 416676307 /nfs/dbraw/zinc/67/63/07/416676307.db2.gz SMBQZVAGBYZEBZ-UHFFFAOYSA-N 1 1 311.342 0.501 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H](n3ccnn3)C2)c1 ZINC000425505745 416711329 /nfs/dbraw/zinc/71/13/29/416711329.db2.gz ZBZLVWBSNJJTTC-YPMHNXCESA-N 1 1 321.341 0.081 20 5 DCBDMO Cc1[nH]nc(C(=O)N2CCC(OCCC[NH3+])CC2)c1[N+](=O)[O-] ZINC000429608248 416982574 /nfs/dbraw/zinc/98/25/74/416982574.db2.gz GHDCKWVPGKNMDP-UHFFFAOYSA-N 1 1 311.342 0.596 20 5 DCBDMO CNc1nccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000574582359 417486746 /nfs/dbraw/zinc/48/67/46/417486746.db2.gz GVKNGTHMBQFYPC-VHSXEESVSA-N 1 1 307.354 1.244 20 5 DCBDMO CNc1nccc(C(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000571819174 417452410 /nfs/dbraw/zinc/45/24/10/417452410.db2.gz RFOQVQVKQKBYQC-WDEREUQCSA-N 1 1 319.365 1.340 20 5 DCBDMO CCn1ncnc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000575377741 417533367 /nfs/dbraw/zinc/53/33/67/417533367.db2.gz IQLDGZSQSSBLCB-LLVKDONJSA-N 1 1 321.337 0.736 20 5 DCBDMO O=C(C[NH2+]C(CO)CO)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000577073184 417661396 /nfs/dbraw/zinc/66/13/96/417661396.db2.gz MGYHONNWDLLMSW-UHFFFAOYSA-N 1 1 303.702 0.130 20 5 DCBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H]1C ZINC000354421207 261217592 /nfs/dbraw/zinc/21/75/92/261217592.db2.gz FFZXSRDNIZCHBE-QWRGUYRKSA-N 1 1 310.358 0.518 20 5 DCBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000354650054 261250530 /nfs/dbraw/zinc/25/05/30/261250530.db2.gz LKCRLSHTUXZPKX-GFCCVEGCSA-N 1 1 308.338 0.527 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363223801 262106302 /nfs/dbraw/zinc/10/63/02/262106302.db2.gz JRPRLNYFROGAJJ-VXGBXAGGSA-N 1 1 323.353 0.079 20 5 DCBDMO C[NH+](C)Cc1cc(C(=O)NCCn2cc([N+](=O)[O-])cn2)no1 ZINC000359408592 271116765 /nfs/dbraw/zinc/11/67/65/271116765.db2.gz LRYLCKQDUCHMCQ-UHFFFAOYSA-N 1 1 308.298 0.271 20 5 DCBDMO CN1C[C@@H](C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)OC1=O ZINC000495650192 272261680 /nfs/dbraw/zinc/26/16/80/272261680.db2.gz HAPNQTQEONJHMV-JQWIXIFHSA-N 1 1 321.337 0.927 20 5 DCBDMO Cc1ccnc(N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1[N+](=O)[O-] ZINC000576452252 341846894 /nfs/dbraw/zinc/84/68/94/341846894.db2.gz QSQLDDPJGQMEGB-LBPRGKRZSA-N 1 1 319.365 0.699 20 5 DCBDMO C[C@@H]1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1C ZINC000330903326 533915683 /nfs/dbraw/zinc/91/56/83/533915683.db2.gz LPDAHGZWZLJISH-GHMZBOCLSA-N 1 1 308.338 0.355 20 5 DCBDMO CCC[N@@H+](CC(=O)OCC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266563082 521573663 /nfs/dbraw/zinc/57/36/63/521573663.db2.gz YKERXEFXSWSHIV-GFCCVEGCSA-N 1 1 314.342 0.427 20 5 DCBDMO CCC[N@H+](CC(=O)OCC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266563082 521573672 /nfs/dbraw/zinc/57/36/72/521573672.db2.gz YKERXEFXSWSHIV-GFCCVEGCSA-N 1 1 314.342 0.427 20 5 DCBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000267237749 523866021 /nfs/dbraw/zinc/86/60/21/523866021.db2.gz ICEKWOOPJMTWPO-SNVBAGLBSA-N 1 1 308.338 0.628 20 5 DCBDMO C[C@H]1CSCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000249022963 524751186 /nfs/dbraw/zinc/75/11/86/524751186.db2.gz LBCVBQURENLKFH-ZYHUDNBSSA-N 1 1 300.384 0.837 20 5 DCBDMO CC(C)[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000735856460 598499957 /nfs/dbraw/zinc/49/99/57/598499957.db2.gz HHMVZTCMILHDLS-UHFFFAOYSA-N 1 1 306.330 0.922 20 5 DCBDMO CN(C[C@H]1CC[N@@H+](C)C1)c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736848859 598501801 /nfs/dbraw/zinc/50/18/01/598501801.db2.gz OICUEEGBIFMBJZ-VIFPVBQESA-N 1 1 318.341 0.558 20 5 DCBDMO C[N@H+]1CC[C@H](CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821622026 606706569 /nfs/dbraw/zinc/70/65/69/606706569.db2.gz PGJUTIHHUUQVSU-MRVPVSSYSA-N 1 1 304.314 0.534 20 5 DCBDMO C[C@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000730080341 663044930 /nfs/dbraw/zinc/04/49/30/663044930.db2.gz BXJLTTUSHKEPML-GXTWGEPZSA-N 1 1 309.366 0.970 20 5 DCBDMO C[C@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000730080341 663044931 /nfs/dbraw/zinc/04/49/31/663044931.db2.gz BXJLTTUSHKEPML-GXTWGEPZSA-N 1 1 309.366 0.970 20 5 DCBDMO C[C@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000730080341 663044932 /nfs/dbraw/zinc/04/49/32/663044932.db2.gz BXJLTTUSHKEPML-GXTWGEPZSA-N 1 1 309.366 0.970 20 5 DCBDMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000901217962 663331034 /nfs/dbraw/zinc/33/10/34/663331034.db2.gz JLWMULDUNAAYPK-BLLLJJGKSA-N 1 1 319.361 0.935 20 5 DCBDMO C[C@@H]1C[N@H+](CCn2nnc(-c3ccccc3[N+](=O)[O-])n2)CCO1 ZINC000912457804 664178094 /nfs/dbraw/zinc/17/80/94/664178094.db2.gz BPMPHMMBTMWOQS-LLVKDONJSA-N 1 1 318.337 0.969 20 5 DCBDMO C[C@@H]1C[N@@H+](CCn2nnc(-c3ccccc3[N+](=O)[O-])n2)CCO1 ZINC000912457804 664178097 /nfs/dbraw/zinc/17/80/97/664178097.db2.gz BPMPHMMBTMWOQS-LLVKDONJSA-N 1 1 318.337 0.969 20 5 DCBDMO CNc1c(C(=O)N(C)CC[N@@H+](C)CCO)cccc1[N+](=O)[O-] ZINC000912605206 664192475 /nfs/dbraw/zinc/19/24/75/664192475.db2.gz IRDGWEUKCZBNQG-UHFFFAOYSA-N 1 1 310.354 0.633 20 5 DCBDMO CN(CC[N@@H+](C)CCO)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000912610505 664195005 /nfs/dbraw/zinc/19/50/05/664195005.db2.gz GUJUVUAPFQBPCW-UHFFFAOYSA-N 1 1 324.381 0.779 20 5 DCBDMO C[N@@H+]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@@H]1CO ZINC000913540958 664343612 /nfs/dbraw/zinc/34/36/12/664343612.db2.gz BPVPBSIXCJLKCC-LLVKDONJSA-N 1 1 311.313 0.411 20 5 DCBDMO C[N@H+]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@@H]1CO ZINC000913540958 664343614 /nfs/dbraw/zinc/34/36/14/664343614.db2.gz BPVPBSIXCJLKCC-LLVKDONJSA-N 1 1 311.313 0.411 20 5 DCBDMO Cn1nccc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000997768967 665335657 /nfs/dbraw/zinc/33/56/57/665335657.db2.gz LKEOFGGNXZGQNI-ZIAGYGMSSA-N 1 1 321.381 0.414 20 5 DCBDMO O=[N+]([O-])c1ccc(NC(=S)NCC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000863236107 667120971 /nfs/dbraw/zinc/12/09/71/667120971.db2.gz GHYNTLRKWCENSV-GFCCVEGCSA-N 1 1 310.379 0.948 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000923415175 667530374 /nfs/dbraw/zinc/53/03/74/667530374.db2.gz QLYYKJGUPVXDJZ-YUTCNCBUSA-N 1 1 309.370 0.226 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000886830450 667803939 /nfs/dbraw/zinc/80/39/39/667803939.db2.gz RFPWXOBBMUXTPQ-BNOWGMLFSA-N 1 1 310.354 0.653 20 5 DCBDMO O=C1C[NH2+]CCN1[C@@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886833501 667804557 /nfs/dbraw/zinc/80/45/57/667804557.db2.gz ZFUKVBIAIHRZGP-CYBMUJFWSA-N 1 1 319.365 0.386 20 5 DCBDMO Cc1ccc(C[NH2+]C[C@H](O)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000872230982 667880226 /nfs/dbraw/zinc/88/02/26/667880226.db2.gz BTICVNGPODFFDX-HNNXBMFYSA-N 1 1 322.409 0.601 20 5 DCBDMO Cc1nn(C)c(C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000887934701 667932944 /nfs/dbraw/zinc/93/29/44/667932944.db2.gz REURSRQLQFEOGC-YGRLFVJLSA-N 1 1 307.354 0.660 20 5 DCBDMO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873136325 667975246 /nfs/dbraw/zinc/97/52/46/667975246.db2.gz YYCDGMWSQKQCEO-YPMHNXCESA-N 1 1 314.363 0.805 20 5 DCBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCN3CCOC[C@H]3C2)cc1 ZINC000755207585 668057906 /nfs/dbraw/zinc/05/79/06/668057906.db2.gz ITUVLZFTPPBMKU-CABCVRRESA-N 1 1 307.350 0.645 20 5 DCBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCN3CCOC[C@H]3C2)cc1 ZINC000755207585 668057908 /nfs/dbraw/zinc/05/79/08/668057908.db2.gz ITUVLZFTPPBMKU-CABCVRRESA-N 1 1 307.350 0.645 20 5 DCBDMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839667760 668129962 /nfs/dbraw/zinc/12/99/62/668129962.db2.gz YYEGDOYYRGKSNM-BFHYXJOUSA-N 1 1 310.398 0.280 20 5 DCBDMO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839667760 668129964 /nfs/dbraw/zinc/12/99/64/668129964.db2.gz YYEGDOYYRGKSNM-BFHYXJOUSA-N 1 1 310.398 0.280 20 5 DCBDMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839667760 668129965 /nfs/dbraw/zinc/12/99/65/668129965.db2.gz YYEGDOYYRGKSNM-BFHYXJOUSA-N 1 1 310.398 0.280 20 5 DCBDMO COc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839748891 668140564 /nfs/dbraw/zinc/14/05/64/668140564.db2.gz YLSAMGFAZXRNDE-ZYHUDNBSSA-N 1 1 306.322 0.404 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000874843076 668226653 /nfs/dbraw/zinc/22/66/53/668226653.db2.gz LOXJSOWMYJTXKB-NEPJUHHUSA-N 1 1 307.354 0.795 20 5 DCBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000877567769 668629632 /nfs/dbraw/zinc/62/96/32/668629632.db2.gz RTIVODTVNFYLCZ-TXEJJXNPSA-N 1 1 303.318 0.916 20 5 DCBDMO CN1C(=O)[C@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@H]2C1=O ZINC000879532146 669056235 /nfs/dbraw/zinc/05/62/35/669056235.db2.gz QYAOYBBEDIYZQV-BETUJISGSA-N 1 1 319.317 0.520 20 5 DCBDMO CN1C(=O)CN(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O ZINC000782859252 669126018 /nfs/dbraw/zinc/12/60/18/669126018.db2.gz GJQYYYNWIXRNQK-UHFFFAOYSA-N 1 1 322.325 0.280 20 5 DCBDMO COC(=O)[C@]12C[N@H+](Cn3cc([N+](=O)[O-])cn3)C[C@H]1COCC2 ZINC000794676409 669858402 /nfs/dbraw/zinc/85/84/02/669858402.db2.gz AZCMSRHTNBEYHN-GXFFZTMASA-N 1 1 310.310 0.260 20 5 DCBDMO COC(=O)[C@]12C[N@@H+](Cn3cc([N+](=O)[O-])cn3)C[C@H]1COCC2 ZINC000794676409 669858406 /nfs/dbraw/zinc/85/84/06/669858406.db2.gz AZCMSRHTNBEYHN-GXFFZTMASA-N 1 1 310.310 0.260 20 5 DCBDMO CC(C)[N@H+]1CCO[C@H](COC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000802138061 670152185 /nfs/dbraw/zinc/15/21/85/670152185.db2.gz ZJPYRRSTRAQCCX-LBPRGKRZSA-N 1 1 312.326 0.444 20 5 DCBDMO CC(C)[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC000949365906 670323511 /nfs/dbraw/zinc/32/35/11/670323511.db2.gz LKGKLXOUFMVUJN-CHWSQXEVSA-N 1 1 311.382 0.753 20 5 DCBDMO CC(C)[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC000949365906 670323515 /nfs/dbraw/zinc/32/35/15/670323515.db2.gz LKGKLXOUFMVUJN-CHWSQXEVSA-N 1 1 311.382 0.753 20 5 DCBDMO CC(C)[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC000949365906 670323518 /nfs/dbraw/zinc/32/35/18/670323518.db2.gz LKGKLXOUFMVUJN-CHWSQXEVSA-N 1 1 311.382 0.753 20 5 DCBDMO O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000855402303 670705027 /nfs/dbraw/zinc/70/50/27/670705027.db2.gz XFMXNEBKXMSXGB-RRFJBIMHSA-N 1 1 319.361 0.535 20 5 DCBDMO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000855402303 670705030 /nfs/dbraw/zinc/70/50/30/670705030.db2.gz XFMXNEBKXMSXGB-RRFJBIMHSA-N 1 1 319.361 0.535 20 5 DCBDMO O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000855402303 670705036 /nfs/dbraw/zinc/70/50/36/670705036.db2.gz XFMXNEBKXMSXGB-RRFJBIMHSA-N 1 1 319.361 0.535 20 5 DCBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848767902 670724619 /nfs/dbraw/zinc/72/46/19/670724619.db2.gz RSOFOXNDUWMXJF-NWDGAFQWSA-N 1 1 320.349 0.210 20 5 DCBDMO CN(CC1C[NH+](C)C1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000849446942 670802084 /nfs/dbraw/zinc/80/20/84/670802084.db2.gz FKMTUVAWVXISBH-UHFFFAOYSA-N 1 1 317.342 0.916 20 5 DCBDMO COC(=O)[C@]1(OC)CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000859556931 671125831 /nfs/dbraw/zinc/12/58/31/671125831.db2.gz FODLTOWZEXPOGU-HIFRSBDPSA-N 1 1 324.333 0.892 20 5 DCBDMO C[N@H+]1CC[C@H]2CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC[C@H]21 ZINC000827328266 671522747 /nfs/dbraw/zinc/52/27/47/671522747.db2.gz DKJFOPMLRVCLGG-WCQYABFASA-N 1 1 320.349 0.309 20 5 DCBDMO Cc1c(-c2noc(CN3CC[NH2+]CC3=O)n2)cccc1[N+](=O)[O-] ZINC000843238804 672072798 /nfs/dbraw/zinc/07/27/98/672072798.db2.gz ZTYVACRLTSCGFC-UHFFFAOYSA-N 1 1 317.305 0.885 20 5 DCBDMO COCC[N@H+]1CC[C@H](NC(=O)Nc2c(C)cncc2[N+](=O)[O-])C1 ZINC001670514458 1157454148 /nfs/dbraw/zinc/45/41/48/1157454148.db2.gz DWBATAGBEDFZEG-NSHDSACASA-N 1 1 323.353 0.562 20 5 DCBDMO C[C@@H]1CN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C[C@H](CO)O1 ZINC001576759815 1164452547 /nfs/dbraw/zinc/45/25/47/1164452547.db2.gz DTZNUBPGJCHASN-WDBKCZKBSA-N 1 1 323.349 0.377 20 5 DCBDMO C[C@H](CCO)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001589834597 1166694052 /nfs/dbraw/zinc/69/40/52/1166694052.db2.gz OFBDATHLXKDRMC-SECBINFHSA-N 1 1 306.326 0.978 20 5 DCBDMO C[C@@H]1C[C@@H](C)C[NH+](CCn2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)C1 ZINC001590189537 1166803152 /nfs/dbraw/zinc/80/31/52/1166803152.db2.gz WKNGFVUCYGDJSE-NXEZZACHSA-N 1 1 320.357 0.949 20 5 DCBDMO CO[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001591474117 1167304717 /nfs/dbraw/zinc/30/47/17/1167304717.db2.gz GORFCYSMWTUBGS-NSHDSACASA-N 1 1 304.310 0.996 20 5 DCBDMO COCC[N@@H+](C)CCCNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001595676287 1167975218 /nfs/dbraw/zinc/97/52/18/1167975218.db2.gz LBIIRXGPZXTRGA-UHFFFAOYSA-N 1 1 319.749 0.669 20 5 DCBDMO O=c1cc([C@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)[nH]c(=O)[nH]1 ZINC001619396678 1171401393 /nfs/dbraw/zinc/40/13/93/1171401393.db2.gz OHKJCHYEMRYIBH-VIFPVBQESA-N 1 1 320.309 0.482 20 5 DCBDMO C[C@@](CO)([NH2+]CC(=O)NCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC001620495639 1171404109 /nfs/dbraw/zinc/40/41/09/1171404109.db2.gz VHJSIJRDVUQEDV-HNNXBMFYSA-N 1 1 307.350 0.918 20 5 DCBDMO COC(=O)CNC(=O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC001621481844 1171410704 /nfs/dbraw/zinc/41/07/04/1171410704.db2.gz BHWQKYONGVCSHY-UHFFFAOYSA-N 1 1 315.713 0.627 20 5 DCBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@@H]1C[N@H+](C)CCO1 ZINC001622416690 1171424788 /nfs/dbraw/zinc/42/47/88/1171424788.db2.gz ZWVIOXUFZASNHU-ZANVPECISA-N 1 1 308.338 0.626 20 5 DCBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@@H]1C[N@@H+](C)CCO1 ZINC001622416690 1171424790 /nfs/dbraw/zinc/42/47/90/1171424790.db2.gz ZWVIOXUFZASNHU-ZANVPECISA-N 1 1 308.338 0.626 20 5 DCBDMO Nc1ccc(NC(=O)C[NH+]2CCC(CO)CC2)cc1[N+](=O)[O-] ZINC001629193362 1171543622 /nfs/dbraw/zinc/54/36/22/1171543622.db2.gz DHQVDNNHJJNSEP-UHFFFAOYSA-N 1 1 308.338 0.820 20 5 DCBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001641305697 1171911818 /nfs/dbraw/zinc/91/18/18/1171911818.db2.gz CXTWCVUQILZNFD-CABZTGNLSA-N 1 1 323.353 0.060 20 5 DCBDMO CC(C)(CC[NH+]1CCOCC1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC001641968273 1171935240 /nfs/dbraw/zinc/93/52/40/1171935240.db2.gz YFNHXUDDYHGRKC-UHFFFAOYSA-N 1 1 311.342 0.549 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](C(=O)N(C)C)C1 ZINC001644666488 1172013333 /nfs/dbraw/zinc/01/33/33/1172013333.db2.gz ZDQHVWIFWYKDHB-LBPRGKRZSA-N 1 1 309.370 0.900 20 5 DCBDMO O=c1[nH]ccc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1[N+](=O)[O-] ZINC001651495591 1173749556 /nfs/dbraw/zinc/74/95/56/1173749556.db2.gz XATGLNMDMTUIRQ-MNOVXSKESA-N 1 1 308.338 0.731 20 5 DCBDMO CCC(=O)c1ccc(NC[C@]2(CO)COCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001652188747 1173765542 /nfs/dbraw/zinc/76/55/42/1173765542.db2.gz JKYLALJCQJCFQZ-HNNXBMFYSA-N 1 1 323.349 0.950 20 5 DCBDMO COc1c(O)ccc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)c1[N+](=O)[O-] ZINC001652292528 1173767056 /nfs/dbraw/zinc/76/70/56/1173767056.db2.gz ZIMCCSBUMDAXGA-KCJUWKMLSA-N 1 1 309.322 0.923 20 5 DCBDMO Cc1ccc(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)nn1 ZINC001657946541 1173916779 /nfs/dbraw/zinc/91/67/79/1173916779.db2.gz XZFPUKSNSBIOAU-HUUCEWRRSA-N 1 1 318.333 0.877 20 5 DCBDMO Cc1c(CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC001680072956 1175777461 /nfs/dbraw/zinc/77/74/61/1175777461.db2.gz IWAFVHWWBDJTFZ-CYBMUJFWSA-N 1 1 322.365 0.769 20 5 DCBDMO Cc1ccncc1C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001712945975 1180575987 /nfs/dbraw/zinc/57/59/87/1180575987.db2.gz PNAOBZMFJMZUEO-ZIAGYGMSSA-N 1 1 306.366 0.993 20 5 DCBDMO Cc1ccncc1C[N@H+](C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001712945975 1180575991 /nfs/dbraw/zinc/57/59/91/1180575991.db2.gz PNAOBZMFJMZUEO-ZIAGYGMSSA-N 1 1 306.366 0.993 20 5 DCBDMO Cc1ccncc1C[N@@H+](C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001712945975 1180575997 /nfs/dbraw/zinc/57/59/97/1180575997.db2.gz PNAOBZMFJMZUEO-ZIAGYGMSSA-N 1 1 306.366 0.993 20 5 DCBDMO Cn1cc(C[NH2+]CC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCCC2)cn1 ZINC001732228232 1185741726 /nfs/dbraw/zinc/74/17/26/1185741726.db2.gz DZKVOTFSHDGMIH-CHWSQXEVSA-N 1 1 321.381 0.604 20 5 DCBDMO CN(CCC[N@H+](C)Cc1csc([N+](=O)[O-])c1)C(=O)C(N)=O ZINC001733776797 1186443859 /nfs/dbraw/zinc/44/38/59/1186443859.db2.gz WZXJGUKDTBTCQE-UHFFFAOYSA-N 1 1 314.367 0.422 20 5 DCBDMO CN(CCC[N@@H+](C)Cc1csc([N+](=O)[O-])c1)C(=O)C(N)=O ZINC001733776797 1186443863 /nfs/dbraw/zinc/44/38/63/1186443863.db2.gz WZXJGUKDTBTCQE-UHFFFAOYSA-N 1 1 314.367 0.422 20 5 DCBDMO CC(C)CN1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1 ZINC001164662168 719340669 /nfs/dbraw/zinc/34/06/69/719340669.db2.gz OCJVCJXUPZXIOB-UHFFFAOYSA-N 1 1 320.397 0.850 20 5 DCBDMO CCOc1nc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164669220 719416997 /nfs/dbraw/zinc/41/69/97/719416997.db2.gz LITIGRWHLGCZLQ-VXGBXAGGSA-N 1 1 308.338 0.908 20 5 DCBDMO O=C(CCc1nc[nH]n1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001125419498 747125875 /nfs/dbraw/zinc/12/58/75/747125875.db2.gz HOYOIPNHUVHHNZ-UHFFFAOYSA-N 1 1 318.337 0.552 20 5 DCBDMO N=c1cc(C[NH3+])ncn1-c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001167354938 747127164 /nfs/dbraw/zinc/12/71/64/747127164.db2.gz INMNXSCPQBEBGC-UHFFFAOYSA-N 1 1 300.322 0.992 20 5 DCBDMO Cc1cc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)ns1 ZINC001126372672 748561204 /nfs/dbraw/zinc/56/12/04/748561204.db2.gz YPLZJOVQGDHQKV-UHFFFAOYSA-N 1 1 324.366 0.613 20 5 DCBDMO Cc1ncc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC001086083142 759692817 /nfs/dbraw/zinc/69/28/17/759692817.db2.gz OSWWHXNOUPXLCF-YXCITZCRSA-N 1 1 319.365 0.435 20 5 DCBDMO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cnns2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086084235 759695080 /nfs/dbraw/zinc/69/50/80/759695080.db2.gz IYYOMYRIVNHTAT-JZSSXWJLSA-N 1 1 311.367 0.188 20 5 DCBDMO Cc1nc(C)c(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001086363218 760101304 /nfs/dbraw/zinc/10/13/04/760101304.db2.gz IBPXZXFCXUSGBR-FDYHWXHSSA-N 1 1 322.365 0.941 20 5 DCBDMO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2C[C@](O)(C(F)(F)F)C[C@H]2CO)C1 ZINC001169013447 760544110 /nfs/dbraw/zinc/54/41/10/760544110.db2.gz VHHBWXQVFVMWBJ-RCWTZXSCSA-N 1 1 312.288 0.792 20 5 DCBDMO C[C@H](C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)S(C)(=O)=O ZINC001169932686 760926637 /nfs/dbraw/zinc/92/66/37/760926637.db2.gz AGUXTEFQDWODTC-SNVBAGLBSA-N 1 1 316.383 0.861 20 5 DCBDMO Cc1noc(CCC[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001157767713 762770809 /nfs/dbraw/zinc/77/08/09/762770809.db2.gz RZODLCJOXILLNW-GHMZBOCLSA-N 1 1 311.342 0.072 20 5 DCBDMO C[NH+](C)CCC(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001133294335 764911740 /nfs/dbraw/zinc/91/17/40/764911740.db2.gz DATVDANSTRCSEO-UHFFFAOYSA-N 1 1 300.384 0.814 20 5 DCBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC001117826671 766144487 /nfs/dbraw/zinc/14/44/87/766144487.db2.gz UVPUCFORZQCBOF-LBPRGKRZSA-N 1 1 322.365 0.754 20 5 DCBDMO Cc1nc(C)c(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)o1 ZINC001125209285 768373997 /nfs/dbraw/zinc/37/39/97/768373997.db2.gz QGGAVCMJROVSJV-UHFFFAOYSA-N 1 1 322.325 0.453 20 5 DCBDMO CC[N@@H+](CCO)CCNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001138718404 768434240 /nfs/dbraw/zinc/43/42/40/768434240.db2.gz MJRFTSQFSOHGGC-UHFFFAOYSA-N 1 1 305.722 0.015 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC(C[NH+]3CCOCC3)C2)n1 ZINC001141411307 768578744 /nfs/dbraw/zinc/57/87/44/768578744.db2.gz SEXCTXXZVVCRKU-UHFFFAOYSA-N 1 1 320.349 0.702 20 5 DCBDMO CC(=O)NCC(=O)NCCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001231259357 769211639 /nfs/dbraw/zinc/21/16/39/769211639.db2.gz XPOXWZMJDVASTL-UHFFFAOYSA-N 1 1 322.365 0.669 20 5 DCBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC[C@@H](O)C[NH3+])c1F ZINC001173177967 769554930 /nfs/dbraw/zinc/55/49/30/769554930.db2.gz YXGVMOXDDXGLTH-IUCAKERBSA-N 1 1 301.318 0.583 20 5 DCBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1-n1cnc(C[NH3+])cc1=N ZINC001156624718 770878792 /nfs/dbraw/zinc/87/87/92/770878792.db2.gz XNGMGDJBXPJWRQ-UHFFFAOYSA-N 1 1 318.293 0.290 20 5 DCBDMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001162249469 772347450 /nfs/dbraw/zinc/34/74/50/772347450.db2.gz QWAYCPITESEBIP-VHSXEESVSA-N 1 1 323.353 0.099 20 5 DCBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001162249469 772347457 /nfs/dbraw/zinc/34/74/57/772347457.db2.gz QWAYCPITESEBIP-VHSXEESVSA-N 1 1 323.353 0.099 20 5 DCBDMO COc1nc(C)c([N+](=O)[O-])c(N2CCC(F)(F)[C@H]([NH3+])C2)n1 ZINC001164322533 772645930 /nfs/dbraw/zinc/64/59/30/772645930.db2.gz BZOBMLYKIOWLFJ-SSDOTTSWSA-N 1 1 303.269 0.875 20 5 DCBDMO CC(C)COCC[N@@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001195761161 773469416 /nfs/dbraw/zinc/46/94/16/773469416.db2.gz KXAYXLVVRZCQEY-ZIAGYGMSSA-N 1 1 313.398 0.859 20 5 DCBDMO CC(C)COCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001195761161 773469414 /nfs/dbraw/zinc/46/94/14/773469414.db2.gz KXAYXLVVRZCQEY-ZIAGYGMSSA-N 1 1 313.398 0.859 20 5 DCBDMO CC(C)COCC[N@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001195761161 773469417 /nfs/dbraw/zinc/46/94/17/773469417.db2.gz KXAYXLVVRZCQEY-ZIAGYGMSSA-N 1 1 313.398 0.859 20 5 DCBDMO COc1ccc(C[C@@H](C)NC[C@H]2C[NH2+]CCN2)c([N+](=O)[O-])c1 ZINC001246488278 945419714 /nfs/dbraw/zinc/41/97/14/945419714.db2.gz JLDSDOGKKCPDJI-DGCLKSJQSA-N 1 1 308.382 0.685 20 5 DCBDMO N[C@@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1O ZINC001246560111 945432933 /nfs/dbraw/zinc/43/29/33/945432933.db2.gz SYMQUPBAFKRBMG-HUUCEWRRSA-N 1 1 306.366 0.567 20 5 DCBDMO N[C@@H]1C[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1O ZINC001246560111 945432941 /nfs/dbraw/zinc/43/29/41/945432941.db2.gz SYMQUPBAFKRBMG-HUUCEWRRSA-N 1 1 306.366 0.567 20 5 DCBDMO COC(=O)CN1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254599013 946415450 /nfs/dbraw/zinc/41/54/50/946415450.db2.gz JNEBLKRWXDWVEL-HNNXBMFYSA-N 1 1 319.361 0.853 20 5 DCBDMO CN1CC[NH+](C(C)(C)CNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC001322422498 946675486 /nfs/dbraw/zinc/67/54/86/946675486.db2.gz ATCPNCPKUUKEFI-UHFFFAOYSA-N 1 1 309.374 0.405 20 5 DCBDMO C[NH+]1CCN(CC2CN(C(=O)c3ccc([N+](=O)[O-])s3)C2)CC1 ZINC001261245675 947228118 /nfs/dbraw/zinc/22/81/18/947228118.db2.gz KMZJDWFMFLPFQA-UHFFFAOYSA-N 1 1 324.406 0.976 20 5 DCBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC001324634860 947488804 /nfs/dbraw/zinc/48/88/04/947488804.db2.gz HPOLCXJQVNPGKA-NSHDSACASA-N 1 1 323.353 0.123 20 5 DCBDMO NC(=O)c1ccnc(N2CCC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC001324649632 947492323 /nfs/dbraw/zinc/49/23/23/947492323.db2.gz MNYGSRLDCYQAMQ-JTQLQIEISA-N 1 1 305.338 0.763 20 5 DCBDMO CC(C)C[C@H](NCC[N+](=O)[O-])C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001336832273 952773447 /nfs/dbraw/zinc/77/34/47/952773447.db2.gz WHEFHCPGWQCTRN-OLZOCXBDSA-N 1 1 300.403 0.430 20 5 DCBDMO C[NH+]1CCN(C(=O)CNC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC001347514750 954110548 /nfs/dbraw/zinc/11/05/48/954110548.db2.gz PKCNKBGKMRPAKL-UHFFFAOYSA-N 1 1 312.351 0.160 20 5 DCBDMO Cc1cc(C(=O)N2CCN(C3C[NH+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC001347773437 954165262 /nfs/dbraw/zinc/16/52/62/954165262.db2.gz WHURRDWEBZXGAR-UHFFFAOYSA-N 1 1 318.377 0.975 20 5 DCBDMO C[N@H+]1CC[C@H]2CN(c3nnc(C[N+](=O)[O-])n3CC3CC3)CC[C@@H]21 ZINC001350509442 955118556 /nfs/dbraw/zinc/11/85/56/955118556.db2.gz SGIKSYMMZXVUSH-STQMWFEESA-N 1 1 320.397 0.995 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(c3nnc(C[N+](=O)[O-])n3CC3CC3)CC[C@H]21 ZINC001350509439 955119391 /nfs/dbraw/zinc/11/93/91/955119391.db2.gz SGIKSYMMZXVUSH-CHWSQXEVSA-N 1 1 320.397 0.995 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC001473390244 1016926297 /nfs/dbraw/zinc/92/62/97/1016926297.db2.gz DHXNYBAZUVZGGT-DMDPSCGWSA-N 1 1 307.354 0.686 20 5 DCBDMO Cc1c(C[N@@H+]2CCN3CCOC[C@@]3(CO)C2)cccc1[N+](=O)[O-] ZINC001473832012 1016979884 /nfs/dbraw/zinc/97/98/84/1016979884.db2.gz GFQYOLDBRSHIQP-INIZCTEOSA-N 1 1 321.377 0.782 20 5 DCBDMO Cc1c(C[N@H+]2CCN3CCOC[C@@]3(CO)C2)cccc1[N+](=O)[O-] ZINC001473832012 1016979894 /nfs/dbraw/zinc/97/98/94/1016979894.db2.gz GFQYOLDBRSHIQP-INIZCTEOSA-N 1 1 321.377 0.782 20 5 DCBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@H](CO)[C@@H](CCO)C2)c1 ZINC001473892987 1016988400 /nfs/dbraw/zinc/98/84/00/1016988400.db2.gz MSVTYSVNFNKHDC-GZBFAFLISA-N 1 1 310.350 0.551 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001442676081 1009609358 /nfs/dbraw/zinc/60/93/58/1009609358.db2.gz ZLDBBDDJHUIOBD-RYUDHWBXSA-N 1 1 323.353 0.079 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccnc(N)c3[N+](=O)[O-])CC[C@@H]21 ZINC001557976355 1012311134 /nfs/dbraw/zinc/31/11/34/1012311134.db2.gz IGKBXEHLHOMOJS-KOLCDFICSA-N 1 1 305.338 0.738 20 5 DCBDMO COc1cc([N+](=O)[O-])cn(C[C@@H](C)C[NH+]2CCOCC2)c1=O ZINC001559448781 1012423718 /nfs/dbraw/zinc/42/37/18/1012423718.db2.gz PXJDKCGTYMMSPR-NSHDSACASA-N 1 1 311.338 0.733 20 5 DCBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC001562587889 1012491518 /nfs/dbraw/zinc/49/15/18/1012491518.db2.gz VAUCYBRYUDOYNN-NSHDSACASA-N 1 1 323.353 0.250 20 5 DCBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC001562587889 1012491528 /nfs/dbraw/zinc/49/15/28/1012491528.db2.gz VAUCYBRYUDOYNN-NSHDSACASA-N 1 1 323.353 0.250 20 5 DCBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC001562587893 1012493325 /nfs/dbraw/zinc/49/33/25/1012493325.db2.gz VCHWPWXKOIRMHQ-LLVKDONJSA-N 1 1 323.353 0.250 20 5 DCBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC001562587893 1012493337 /nfs/dbraw/zinc/49/33/37/1012493337.db2.gz VCHWPWXKOIRMHQ-LLVKDONJSA-N 1 1 323.353 0.250 20 5 DCBDMO CC[N@H+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC001564312538 1012520648 /nfs/dbraw/zinc/52/06/48/1012520648.db2.gz BOQNKYVRPVQBQW-LLVKDONJSA-N 1 1 310.358 0.527 20 5 DCBDMO CNC(=O)C1([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CCOCC1 ZINC001460787753 1012967477 /nfs/dbraw/zinc/96/74/77/1012967477.db2.gz JHWKOAIMQXZEKB-UHFFFAOYSA-N 1 1 323.349 0.988 20 5 DCBDMO Cn1cc(C[NH+]2CCC([C@@H]3COC(=O)N3)CC2)c([N+](=O)[O-])n1 ZINC001460877653 1012983570 /nfs/dbraw/zinc/98/35/70/1012983570.db2.gz ZYQHDQSNQNMKOB-NSHDSACASA-N 1 1 309.326 0.649 20 5 DCBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000330859335 232118715 /nfs/dbraw/zinc/11/87/15/232118715.db2.gz RFUARFQSYNWHST-SKDRFNHKSA-N 1 1 307.354 0.984 20 5 DCBDMO C[C@H]1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1C ZINC000330903330 232150732 /nfs/dbraw/zinc/15/07/32/232150732.db2.gz LPDAHGZWZLJISH-QWRGUYRKSA-N 1 1 308.338 0.355 20 5 DCBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000301810658 283349798 /nfs/dbraw/zinc/34/97/98/283349798.db2.gz GSBBVXLCNDVPJB-GFCCVEGCSA-N 1 1 319.365 0.908 20 5 DCBDMO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1nncn1C ZINC000275132986 212142009 /nfs/dbraw/zinc/14/20/09/212142009.db2.gz CCPDKVRAEJOTPX-PWSUYJOCSA-N 1 1 321.337 0.814 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000264816778 204179741 /nfs/dbraw/zinc/17/97/41/204179741.db2.gz ZAEXKQCKSUMOII-ZDUSSCGKSA-N 1 1 306.366 0.879 20 5 DCBDMO CN(C)c1[nH+]cc(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)n1C ZINC000265102425 204399030 /nfs/dbraw/zinc/39/90/30/204399030.db2.gz HTJQOWHUDXYHDC-UHFFFAOYSA-N 1 1 318.337 0.907 20 5 DCBDMO CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CC(=O)N(C)C1=O ZINC000282538356 217072953 /nfs/dbraw/zinc/07/29/53/217072953.db2.gz RFYOOCZUSGAULF-JTQLQIEISA-N 1 1 309.326 0.261 20 5 DCBDMO COc1ccc(S(=O)(=O)N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000021046136 182263480 /nfs/dbraw/zinc/26/34/80/182263480.db2.gz MWCNPZNFKPVUMO-UHFFFAOYSA-N 1 1 301.324 0.197 20 5 DCBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000066139888 184392214 /nfs/dbraw/zinc/39/22/14/184392214.db2.gz KCYWZUULFSDJLW-NSHDSACASA-N 1 1 310.354 0.603 20 5 DCBDMO CC(C)[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000339814508 253150047 /nfs/dbraw/zinc/15/00/47/253150047.db2.gz RXEGOVAAUZZFOV-KGLIPLIRSA-N 1 1 312.370 0.899 20 5 DCBDMO C[C@@H](O)C[NH+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000284701551 131105862 /nfs/dbraw/zinc/10/58/62/131105862.db2.gz GKCKFRQLOYIZBD-SNVBAGLBSA-N 1 1 309.326 0.520 20 5 DCBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)CN1CCOCC1)CC2 ZINC000088616565 395708017 /nfs/dbraw/zinc/70/80/17/395708017.db2.gz WIJFGNHSOAEOLI-MRXNPFEDSA-N 1 1 321.377 0.646 20 5 DCBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)CN1CCOCC1)CC2 ZINC000088616565 395708020 /nfs/dbraw/zinc/70/80/20/395708020.db2.gz WIJFGNHSOAEOLI-MRXNPFEDSA-N 1 1 321.377 0.646 20 5 DCBDMO C[NH+]1CCN(CCCCNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000042752113 395748824 /nfs/dbraw/zinc/74/88/24/395748824.db2.gz SJRWGDGXWPHSQX-UHFFFAOYSA-N 1 1 310.354 0.945 20 5 DCBDMO Cc1nn(C)c(C(=O)N2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000098105199 395762398 /nfs/dbraw/zinc/76/23/98/395762398.db2.gz AXFLHDSHIBZXDY-UHFFFAOYSA-N 1 1 307.354 0.805 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108328536 395789229 /nfs/dbraw/zinc/78/92/29/395789229.db2.gz YPZHCHQXPBLYQT-LBPRGKRZSA-N 1 1 309.370 0.948 20 5 DCBDMO COC(=O)C[C@H]1CSCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000123280737 395893091 /nfs/dbraw/zinc/89/30/91/395893091.db2.gz ZTIGSFDKJZXPSF-JTQLQIEISA-N 1 1 314.367 0.772 20 5 DCBDMO COC(=O)C[C@H]1CSCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000123280737 395893093 /nfs/dbraw/zinc/89/30/93/395893093.db2.gz ZTIGSFDKJZXPSF-JTQLQIEISA-N 1 1 314.367 0.772 20 5 DCBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000272493868 395894755 /nfs/dbraw/zinc/89/47/55/395894755.db2.gz RYVBTTCORXFFTL-SNVBAGLBSA-N 1 1 308.338 0.628 20 5 DCBDMO Cc1nccn1CCC[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000136307473 395945990 /nfs/dbraw/zinc/94/59/90/395945990.db2.gz VSYGPHVHZWVGEK-AWEZNQCLSA-N 1 1 322.369 0.679 20 5 DCBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261603784 396047713 /nfs/dbraw/zinc/04/77/13/396047713.db2.gz AWWGIUTUIHDYDF-LBPRGKRZSA-N 1 1 316.321 0.359 20 5 DCBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000278083358 396105007 /nfs/dbraw/zinc/10/50/07/396105007.db2.gz HMTUGVOFYDUNCQ-GZMMTYOYSA-N 1 1 306.322 0.908 20 5 DCBDMO C[C@@]1(O)CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000177971276 396186692 /nfs/dbraw/zinc/18/66/92/396186692.db2.gz MSKURIREEBZWHM-OAHLLOKOSA-N 1 1 305.334 0.941 20 5 DCBDMO C[C@@]1(O)CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000177971276 396186696 /nfs/dbraw/zinc/18/66/96/396186696.db2.gz MSKURIREEBZWHM-OAHLLOKOSA-N 1 1 305.334 0.941 20 5 DCBDMO C[C@@H]1OCC[C@@]12C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CCO2 ZINC000280470722 396203116 /nfs/dbraw/zinc/20/31/16/396203116.db2.gz OXQLFTRYXPNVMA-SWLSCSKDSA-N 1 1 323.349 0.636 20 5 DCBDMO C[C@@H]1OCC[C@@]12C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CCO2 ZINC000280470722 396203118 /nfs/dbraw/zinc/20/31/18/396203118.db2.gz OXQLFTRYXPNVMA-SWLSCSKDSA-N 1 1 323.349 0.636 20 5 DCBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000264451583 396281508 /nfs/dbraw/zinc/28/15/08/396281508.db2.gz CWUDMGDMOPMNPM-LLVKDONJSA-N 1 1 308.338 0.628 20 5 DCBDMO C[N@H+]1CC[C@H](CNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000264677699 396302443 /nfs/dbraw/zinc/30/24/43/396302443.db2.gz NIRWAVALSCGMSS-GFCCVEGCSA-N 1 1 321.333 0.854 20 5 DCBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCC(N)=O ZINC000286386851 396392222 /nfs/dbraw/zinc/39/22/22/396392222.db2.gz IRRFTVYPDHQJSB-UHFFFAOYSA-N 1 1 324.337 0.739 20 5 DCBDMO C[N@H+](CCC(N)=O)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000286402887 396393411 /nfs/dbraw/zinc/39/34/11/396393411.db2.gz JOPVGDCFXVQADX-UHFFFAOYSA-N 1 1 305.294 0.952 20 5 DCBDMO C[N@@H+](CCC(N)=O)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000286402887 396393413 /nfs/dbraw/zinc/39/34/13/396393413.db2.gz JOPVGDCFXVQADX-UHFFFAOYSA-N 1 1 305.294 0.952 20 5 DCBDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269583338 396426586 /nfs/dbraw/zinc/42/65/86/396426586.db2.gz ABXHWZIVKJHQRD-LBPRGKRZSA-N 1 1 322.365 0.699 20 5 DCBDMO COc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000507335029 396497128 /nfs/dbraw/zinc/49/71/28/396497128.db2.gz STJHQULALLOART-VIFPVBQESA-N 1 1 315.351 0.586 20 5 DCBDMO COc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000507335029 396497129 /nfs/dbraw/zinc/49/71/29/396497129.db2.gz STJHQULALLOART-VIFPVBQESA-N 1 1 315.351 0.586 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000291654535 396504594 /nfs/dbraw/zinc/50/45/94/396504594.db2.gz FLYUSNXZQFETIW-GFCCVEGCSA-N 1 1 303.322 0.900 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588863617 396695821 /nfs/dbraw/zinc/69/58/21/396695821.db2.gz RQGCCMIJGKZBQA-UWVGGRQHSA-N 1 1 311.363 0.937 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588863617 396695824 /nfs/dbraw/zinc/69/58/24/396695824.db2.gz RQGCCMIJGKZBQA-UWVGGRQHSA-N 1 1 311.363 0.937 20 5 DCBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000600532144 396885712 /nfs/dbraw/zinc/88/57/12/396885712.db2.gz GVPHCCKQQXTSNP-SNVBAGLBSA-N 1 1 318.333 0.873 20 5 DCBDMO COc1ccc(C(=O)NCC[N@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000600806791 396946754 /nfs/dbraw/zinc/94/67/54/396946754.db2.gz GFNFVRFEHILPPS-NSHDSACASA-N 1 1 309.322 0.400 20 5 DCBDMO CC(=O)NCC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000572758601 397092178 /nfs/dbraw/zinc/09/21/78/397092178.db2.gz SIPBFGUHQMITGU-UHFFFAOYSA-N 1 1 308.338 0.991 20 5 DCBDMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000592205230 397128057 /nfs/dbraw/zinc/12/80/57/397128057.db2.gz VTOJCYWOBUSAPY-WCQYABFASA-N 1 1 324.333 0.829 20 5 DCBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000378167556 397203677 /nfs/dbraw/zinc/20/36/77/397203677.db2.gz CBEOGNHYDIMPFQ-VXGBXAGGSA-N 1 1 322.369 0.717 20 5 DCBDMO CNS(=O)(=O)CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000598618861 397260961 /nfs/dbraw/zinc/26/09/61/397260961.db2.gz RUDAJDAYSWEQHW-UHFFFAOYSA-N 1 1 301.368 0.969 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000371254353 397563559 /nfs/dbraw/zinc/56/35/59/397563559.db2.gz VDEQVHTWTGJPDG-QMIVOQANSA-N 1 1 301.346 0.898 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000371254353 397563562 /nfs/dbraw/zinc/56/35/62/397563562.db2.gz VDEQVHTWTGJPDG-QMIVOQANSA-N 1 1 301.346 0.898 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000371254353 397563567 /nfs/dbraw/zinc/56/35/67/397563567.db2.gz VDEQVHTWTGJPDG-QMIVOQANSA-N 1 1 301.346 0.898 20 5 DCBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@@H+](C)C[C@H]1CO ZINC000602905995 397519754 /nfs/dbraw/zinc/51/97/54/397519754.db2.gz WNLAYISOAXQFIR-LBPRGKRZSA-N 1 1 322.365 0.450 20 5 DCBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@H+](C)C[C@H]1CO ZINC000602905995 397519757 /nfs/dbraw/zinc/51/97/57/397519757.db2.gz WNLAYISOAXQFIR-LBPRGKRZSA-N 1 1 322.365 0.450 20 5 DCBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000609309374 397769816 /nfs/dbraw/zinc/76/98/16/397769816.db2.gz CQRVDFLELUTXCA-JTQLQIEISA-N 1 1 308.342 0.319 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000160809386 158355210 /nfs/dbraw/zinc/35/52/10/158355210.db2.gz WLRGEELJDFRJAW-BPLDGKMQSA-N 1 1 324.381 0.779 20 5 DCBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000408148295 160047556 /nfs/dbraw/zinc/04/75/56/160047556.db2.gz AVENSPVGRDIPPT-CYBMUJFWSA-N 1 1 319.365 0.733 20 5 DCBDMO CC[N@H+]1CC[C@@H](CNC(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000133373649 287010475 /nfs/dbraw/zinc/01/04/75/287010475.db2.gz ZJYIFRDAWSVVEG-LBPRGKRZSA-N 1 1 309.370 0.948 20 5 DCBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H](O)CN1CCOCC1)C2 ZINC000305476949 287143345 /nfs/dbraw/zinc/14/33/45/287143345.db2.gz ZYLIDKMEWYDXPZ-AWEZNQCLSA-N 1 1 321.377 0.646 20 5 DCBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H](O)CN1CCOCC1)C2 ZINC000305476949 287143347 /nfs/dbraw/zinc/14/33/47/287143347.db2.gz ZYLIDKMEWYDXPZ-AWEZNQCLSA-N 1 1 321.377 0.646 20 5 DCBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1cc([N+](=O)[O-])c[nH]1 ZINC000342950151 415373161 /nfs/dbraw/zinc/37/31/61/415373161.db2.gz IODJTMOEYYXJCE-NSHDSACASA-N 1 1 310.354 0.890 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000343259394 415518929 /nfs/dbraw/zinc/51/89/29/415518929.db2.gz YOVUAJYEPMYKAR-UHFFFAOYSA-N 1 1 307.354 0.868 20 5 DCBDMO CO[C@H]1COC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000290113658 415761659 /nfs/dbraw/zinc/76/16/59/415761659.db2.gz KAOMURVRZKDPKN-JSGCOSHPSA-N 1 1 321.333 0.487 20 5 DCBDMO Cn1c(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000337711855 416000659 /nfs/dbraw/zinc/00/06/59/416000659.db2.gz FHNRZOLVEPGKON-UHFFFAOYSA-N 1 1 323.397 0.689 20 5 DCBDMO C[NH+](C)CCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000298201205 415995623 /nfs/dbraw/zinc/99/56/23/415995623.db2.gz TYPXXUUBQPUOJV-UHFFFAOYSA-N 1 1 315.351 0.290 20 5 DCBDMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345675020 416132067 /nfs/dbraw/zinc/13/20/67/416132067.db2.gz VFGAEBWEGHMYJO-RKDXNWHRSA-N 1 1 322.325 0.059 20 5 DCBDMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345675020 416132071 /nfs/dbraw/zinc/13/20/71/416132071.db2.gz VFGAEBWEGHMYJO-RKDXNWHRSA-N 1 1 322.325 0.059 20 5 DCBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000180817084 416201000 /nfs/dbraw/zinc/20/10/00/416201000.db2.gz HEKVTJBHLUBHEQ-WDEREUQCSA-N 1 1 322.365 0.704 20 5 DCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000180817084 416201002 /nfs/dbraw/zinc/20/10/02/416201002.db2.gz HEKVTJBHLUBHEQ-WDEREUQCSA-N 1 1 322.365 0.704 20 5 DCBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H]1C ZINC000180817065 416201388 /nfs/dbraw/zinc/20/13/88/416201388.db2.gz HEKVTJBHLUBHEQ-GHMZBOCLSA-N 1 1 322.365 0.704 20 5 DCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H]1C ZINC000180817065 416201389 /nfs/dbraw/zinc/20/13/89/416201389.db2.gz HEKVTJBHLUBHEQ-GHMZBOCLSA-N 1 1 322.365 0.704 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000186516286 416257158 /nfs/dbraw/zinc/25/71/58/416257158.db2.gz OPSUUFBWIYYJNA-STQMWFEESA-N 1 1 323.349 0.659 20 5 DCBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)CN1CC[NH+](C)CC1 ZINC000193513494 416317611 /nfs/dbraw/zinc/31/76/11/416317611.db2.gz WPCWXVWOORVYQM-UHFFFAOYSA-N 1 1 306.366 0.801 20 5 DCBDMO CNC(=O)C[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000434684903 416491147 /nfs/dbraw/zinc/49/11/47/416491147.db2.gz LNTRIGNGJKZYRE-UHFFFAOYSA-N 1 1 322.321 0.571 20 5 DCBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])C2)C1 ZINC000583761854 416482767 /nfs/dbraw/zinc/48/27/67/416482767.db2.gz DIZQUYQOQZAMRI-OAHLLOKOSA-N 1 1 319.365 1.130 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCc3cn[nH]c3C2)c1 ZINC000583929951 416485468 /nfs/dbraw/zinc/48/54/68/416485468.db2.gz KWRUCADGENZLHS-PWSUYJOCSA-N 1 1 306.326 0.022 20 5 DCBDMO CNc1nccc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000594286103 416558709 /nfs/dbraw/zinc/55/87/09/416558709.db2.gz NDAGSKWUEKHBDT-LLVKDONJSA-N 1 1 319.365 1.246 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000368664790 416682087 /nfs/dbraw/zinc/68/20/87/416682087.db2.gz YNPWSUIRVXYCFW-WDEREUQCSA-N 1 1 309.322 0.859 20 5 DCBDMO CCN1CC[NH+](CC(C)(C)Nc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000450923925 417281943 /nfs/dbraw/zinc/28/19/43/417281943.db2.gz SMGLGHFCAVAITP-UHFFFAOYSA-N 1 1 323.401 0.795 20 5 DCBDMO Cc1cc(C[C@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000571198746 417434009 /nfs/dbraw/zinc/43/40/09/417434009.db2.gz XJGQKPHYONPVIQ-ZANVPECISA-N 1 1 308.342 0.405 20 5 DCBDMO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cc(O)cc([N+](=O)[O-])c1 ZINC000452360319 417472625 /nfs/dbraw/zinc/47/26/25/417472625.db2.gz ILWFHFQNSLWWPZ-GFCCVEGCSA-N 1 1 323.349 0.877 20 5 DCBDMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1cc(O)cc([N+](=O)[O-])c1 ZINC000452360319 417472630 /nfs/dbraw/zinc/47/26/30/417472630.db2.gz ILWFHFQNSLWWPZ-GFCCVEGCSA-N 1 1 323.349 0.877 20 5 DCBDMO COCC[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000299227717 229005304 /nfs/dbraw/zinc/00/53/04/229005304.db2.gz CJAWQYLZTVRITI-UHFFFAOYSA-N 1 1 312.326 0.394 20 5 DCBDMO CC[N@@H+](C)C[C@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000357518725 261551361 /nfs/dbraw/zinc/55/13/61/261551361.db2.gz WRNWLULMCRBWQX-SNVBAGLBSA-N 1 1 307.354 0.867 20 5 DCBDMO CN(C)S(=O)(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000459542128 272000000 /nfs/dbraw/zinc/00/00/00/272000000.db2.gz VLYQOJNVSKDIHW-UHFFFAOYSA-N 1 1 320.346 0.220 20 5 DCBDMO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000459835898 272014468 /nfs/dbraw/zinc/01/44/68/272014468.db2.gz YECMYWVUNITUOM-XHVZSJERSA-N 1 1 309.322 0.925 20 5 DCBDMO C[C@@H](O)C[N@H+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000174732147 274270896 /nfs/dbraw/zinc/27/08/96/274270896.db2.gz DEOFCKCHGTXLPD-WDEREUQCSA-N 1 1 322.365 0.585 20 5 DCBDMO C[C@@]([NH2+]CCn1cc([N+](=O)[O-])cn1)(C(N)=O)c1ccccc1 ZINC000174837605 279149849 /nfs/dbraw/zinc/14/98/49/279149849.db2.gz CGXYPAYVKUABLA-AWEZNQCLSA-N 1 1 303.322 0.782 20 5 DCBDMO C[N@H+]1CCO[C@H]2CCN(c3cccc(C(N)=O)c3[N+](=O)[O-])C[C@H]21 ZINC000343277614 290114721 /nfs/dbraw/zinc/11/47/21/290114721.db2.gz FIKAHNRFMIYVTN-OLZOCXBDSA-N 1 1 320.349 0.603 20 5 DCBDMO CC(C)(C)[N@H+](CCn1ccc([N+](=O)[O-])n1)CCS(C)(=O)=O ZINC000131588597 518702337 /nfs/dbraw/zinc/70/23/37/518702337.db2.gz DGSSOVHYTHOMEU-UHFFFAOYSA-N 1 1 318.399 0.936 20 5 DCBDMO CC(C)(C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)CCS(C)(=O)=O ZINC000131588597 518702340 /nfs/dbraw/zinc/70/23/40/518702340.db2.gz DGSSOVHYTHOMEU-UHFFFAOYSA-N 1 1 318.399 0.936 20 5 DCBDMO NC(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181531088 534454299 /nfs/dbraw/zinc/45/42/99/534454299.db2.gz VAKAYXCMWINYNK-ZYHUDNBSSA-N 1 1 309.322 0.284 20 5 DCBDMO NC(=O)[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181531088 534454308 /nfs/dbraw/zinc/45/43/08/534454308.db2.gz VAKAYXCMWINYNK-ZYHUDNBSSA-N 1 1 309.322 0.284 20 5 DCBDMO COc1cc(C[N@H+]2CC[C@H](C(N)=O)C2)c([N+](=O)[O-])cc1OC ZINC000157137835 522394150 /nfs/dbraw/zinc/39/41/50/522394150.db2.gz SUGWXTVNGOQMEA-VIFPVBQESA-N 1 1 309.322 0.919 20 5 DCBDMO CC[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000247190322 523444824 /nfs/dbraw/zinc/44/48/24/523444824.db2.gz BQLXNCPMAFANHN-VXGBXAGGSA-N 1 1 300.384 0.980 20 5 DCBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2[nH]ncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000159537491 524947554 /nfs/dbraw/zinc/94/75/54/524947554.db2.gz GIFXBBMNMBMXKG-AOOOYVTPSA-N 1 1 311.342 0.547 20 5 DCBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000245669349 525760489 /nfs/dbraw/zinc/76/04/89/525760489.db2.gz HEKVTJBHLUBHEQ-QWRGUYRKSA-N 1 1 322.365 0.704 20 5 DCBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000245669349 525760495 /nfs/dbraw/zinc/76/04/95/525760495.db2.gz HEKVTJBHLUBHEQ-QWRGUYRKSA-N 1 1 322.365 0.704 20 5 DCBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000330796390 527813966 /nfs/dbraw/zinc/81/39/66/527813966.db2.gz FVBNJTUVWNSYAZ-JTQLQIEISA-N 1 1 307.354 0.986 20 5 DCBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000161565441 527829657 /nfs/dbraw/zinc/82/96/57/527829657.db2.gz ILZURHOZFZCKBU-GFCCVEGCSA-N 1 1 324.385 0.775 20 5 DCBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000251704045 545974473 /nfs/dbraw/zinc/97/44/73/545974473.db2.gz JMLUKQLHRCRCGL-QWRGUYRKSA-N 1 1 322.365 0.825 20 5 DCBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000251704045 545974478 /nfs/dbraw/zinc/97/44/78/545974478.db2.gz JMLUKQLHRCRCGL-QWRGUYRKSA-N 1 1 322.365 0.825 20 5 DCBDMO Cc1nn(C)cc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001022063569 658818806 /nfs/dbraw/zinc/81/88/06/658818806.db2.gz DOIBRJNSDHLYTJ-YVECIDJPSA-N 1 1 307.354 0.131 20 5 DCBDMO Cc1nc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001022064152 658821685 /nfs/dbraw/zinc/82/16/85/658821685.db2.gz YMJXSDNSPRMISG-WRWGMCAJSA-N 1 1 308.338 0.693 20 5 DCBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2cc3n(n2)CCC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020140061 659671913 /nfs/dbraw/zinc/67/19/13/659671913.db2.gz WKNKMZMQOJKTND-DMTCVQMQSA-N 1 1 319.365 0.231 20 5 DCBDMO COc1cc([N+](=O)[O-])cnc1N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000894080260 661431918 /nfs/dbraw/zinc/43/19/18/661431918.db2.gz KDMFZBWEUJCWIA-PHIMTYICSA-N 1 1 310.354 0.890 20 5 DCBDMO COc1cc([N+](=O)[O-])cnc1N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000894080260 661431920 /nfs/dbraw/zinc/43/19/20/661431920.db2.gz KDMFZBWEUJCWIA-PHIMTYICSA-N 1 1 310.354 0.890 20 5 DCBDMO Cc1nn(C)c(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000726163816 661652337 /nfs/dbraw/zinc/65/23/37/661652337.db2.gz OEKRXXLYOAQOKD-GHMZBOCLSA-N 1 1 323.353 0.230 20 5 DCBDMO C[N@@H+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@@H]1CO ZINC000894886973 662027526 /nfs/dbraw/zinc/02/75/26/662027526.db2.gz YFWXYQIUJLRTGB-MRVPVSSYSA-N 1 1 309.351 0.712 20 5 DCBDMO C[N@H+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@@H]1CO ZINC000894886973 662027528 /nfs/dbraw/zinc/02/75/28/662027528.db2.gz YFWXYQIUJLRTGB-MRVPVSSYSA-N 1 1 309.351 0.712 20 5 DCBDMO CN1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC000897101028 662394192 /nfs/dbraw/zinc/39/41/92/662394192.db2.gz XTOWHKFZRSYRID-UHFFFAOYSA-N 1 1 321.381 0.377 20 5 DCBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898490068 663092543 /nfs/dbraw/zinc/09/25/43/663092543.db2.gz GWSCYUCCAWUJCO-NSHDSACASA-N 1 1 313.333 0.732 20 5 DCBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898490068 663092544 /nfs/dbraw/zinc/09/25/44/663092544.db2.gz GWSCYUCCAWUJCO-NSHDSACASA-N 1 1 313.333 0.732 20 5 DCBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)C[C@@]1(O)CCOC1 ZINC000905904684 663588027 /nfs/dbraw/zinc/58/80/27/663588027.db2.gz MQEDJEIKMATAJS-HIFRSBDPSA-N 1 1 310.350 0.929 20 5 DCBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)C[C@@]1(O)CCOC1 ZINC000905904684 663588028 /nfs/dbraw/zinc/58/80/28/663588028.db2.gz MQEDJEIKMATAJS-HIFRSBDPSA-N 1 1 310.350 0.929 20 5 DCBDMO O=C(NCC1C[NH+](Cc2ccc(CO)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031663310 665274399 /nfs/dbraw/zinc/27/43/99/665274399.db2.gz WLUOOQANQSITHQ-HUUCEWRRSA-N 1 1 319.361 0.392 20 5 DCBDMO C[C@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC[NH2+]1 ZINC000122736917 667676204 /nfs/dbraw/zinc/67/62/04/667676204.db2.gz RNOWPMDRLNZFQS-QMMMGPOBSA-N 1 1 303.315 0.716 20 5 DCBDMO O=C1CC2(CCOCC2)[N@H+](Cc2cccnc2[N+](=O)[O-])CCN1 ZINC000886309321 667754583 /nfs/dbraw/zinc/75/45/83/667754583.db2.gz ZSBIGCJWTWGBKB-UHFFFAOYSA-N 1 1 320.349 0.861 20 5 DCBDMO O=C1CC2(CCOCC2)[N@@H+](Cc2cccnc2[N+](=O)[O-])CCN1 ZINC000886309321 667754586 /nfs/dbraw/zinc/75/45/86/667754586.db2.gz ZSBIGCJWTWGBKB-UHFFFAOYSA-N 1 1 320.349 0.861 20 5 DCBDMO O=C1C[NH2+]CCN1[C@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886833502 667804109 /nfs/dbraw/zinc/80/41/09/667804109.db2.gz ZFUKVBIAIHRZGP-ZDUSSCGKSA-N 1 1 319.365 0.386 20 5 DCBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000762720858 668374455 /nfs/dbraw/zinc/37/44/55/668374455.db2.gz DLKZJTNSCBNNNT-OAHLLOKOSA-N 1 1 322.365 0.457 20 5 DCBDMO CON(C)C(=O)C1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000877544241 668627934 /nfs/dbraw/zinc/62/79/34/668627934.db2.gz NHSYWCUTTFKAHH-UHFFFAOYSA-N 1 1 311.342 0.560 20 5 DCBDMO O=C(CC[N@@H+]1CCCNC(=O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782487845 669100507 /nfs/dbraw/zinc/10/05/07/669100507.db2.gz LKNYKMDIDVGDFO-UHFFFAOYSA-N 1 1 324.312 0.884 20 5 DCBDMO O=C(CC[N@H+]1CCCNC(=O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782487845 669100510 /nfs/dbraw/zinc/10/05/10/669100510.db2.gz LKNYKMDIDVGDFO-UHFFFAOYSA-N 1 1 324.312 0.884 20 5 DCBDMO C[N@H+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000931400484 669190952 /nfs/dbraw/zinc/19/09/52/669190952.db2.gz ZRATUOLKZDWOGJ-LBPRGKRZSA-N 1 1 322.365 0.532 20 5 DCBDMO CN1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000931400484 669190954 /nfs/dbraw/zinc/19/09/54/669190954.db2.gz ZRATUOLKZDWOGJ-LBPRGKRZSA-N 1 1 322.365 0.532 20 5 DCBDMO CN1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000931400484 669190959 /nfs/dbraw/zinc/19/09/59/669190959.db2.gz ZRATUOLKZDWOGJ-LBPRGKRZSA-N 1 1 322.365 0.532 20 5 DCBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@@H+](C)[C@H](CO)C1 ZINC000931408190 669194910 /nfs/dbraw/zinc/19/49/10/669194910.db2.gz YYEGRPLGYXBUQZ-LBPRGKRZSA-N 1 1 322.365 0.450 20 5 DCBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@H+](C)[C@H](CO)C1 ZINC000931408190 669194914 /nfs/dbraw/zinc/19/49/14/669194914.db2.gz YYEGRPLGYXBUQZ-LBPRGKRZSA-N 1 1 322.365 0.450 20 5 DCBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)[C@H]1C[N@H+](C)CCO1 ZINC000787132686 669353184 /nfs/dbraw/zinc/35/31/84/669353184.db2.gz JYCLKCHYNAPRGN-NOZJJQNGSA-N 1 1 308.338 0.626 20 5 DCBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)[C@H]1C[N@@H+](C)CCO1 ZINC000787132686 669353189 /nfs/dbraw/zinc/35/31/89/669353189.db2.gz JYCLKCHYNAPRGN-NOZJJQNGSA-N 1 1 308.338 0.626 20 5 DCBDMO CC(=O)NCC(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170465 670615791 /nfs/dbraw/zinc/61/57/91/670615791.db2.gz PHRQNBSAVBCPBE-AWEZNQCLSA-N 1 1 321.333 0.848 20 5 DCBDMO CC(=O)NCC(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170465 670615794 /nfs/dbraw/zinc/61/57/94/670615794.db2.gz PHRQNBSAVBCPBE-AWEZNQCLSA-N 1 1 321.333 0.848 20 5 DCBDMO Cn1ncc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000819309582 671110492 /nfs/dbraw/zinc/11/04/92/671110492.db2.gz UGCHFZPCKSKYLL-UHFFFAOYSA-N 1 1 304.310 0.842 20 5 DCBDMO NC(=O)c1cc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000853242430 671223977 /nfs/dbraw/zinc/22/39/77/671223977.db2.gz SFCMRLLQDDMKMN-VXGBXAGGSA-N 1 1 320.349 0.969 20 5 DCBDMO C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[C@@H](CO)C1 ZINC000826702331 671497162 /nfs/dbraw/zinc/49/71/62/671497162.db2.gz HUNGRSJIUWHSPH-RBSFLKMASA-N 1 1 319.361 0.833 20 5 DCBDMO C[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[C@@H](CO)C1 ZINC000826702331 671497164 /nfs/dbraw/zinc/49/71/64/671497164.db2.gz HUNGRSJIUWHSPH-RBSFLKMASA-N 1 1 319.361 0.833 20 5 DCBDMO C[N@H+]1CC[C@H]2CN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000827330233 671523282 /nfs/dbraw/zinc/52/32/82/671523282.db2.gz KYPDUMKZRPHCJI-AAEUAGOBSA-N 1 1 307.354 0.734 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827329843 671523356 /nfs/dbraw/zinc/52/33/56/671523356.db2.gz INCLYFXBOLLPLX-NEPJUHHUSA-N 1 1 307.354 0.652 20 5 DCBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000827528037 671530608 /nfs/dbraw/zinc/53/06/08/671530608.db2.gz FSGJSMXKYAXTHU-RBSFLKMASA-N 1 1 319.361 0.881 20 5 DCBDMO COc1cc[nH+]c(N2CCN(Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000104654554 671987051 /nfs/dbraw/zinc/98/70/51/671987051.db2.gz OIAQCJQODRHDIX-UHFFFAOYSA-N 1 1 318.337 0.975 20 5 DCBDMO COc1ncccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020138833 693709653 /nfs/dbraw/zinc/70/96/53/693709653.db2.gz COLDNVFDFNWDCN-FDYHWXHSSA-N 1 1 320.349 0.492 20 5 DCBDMO CCc1[nH]nc(C(=O)N2CC[NH2+]C[C@H]2CCOC)c1[N+](=O)[O-] ZINC001578243657 1164963189 /nfs/dbraw/zinc/96/31/89/1164963189.db2.gz UPGRFZZBBOZIMM-SECBINFHSA-N 1 1 311.342 0.331 20 5 DCBDMO CN1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1=O ZINC001578530896 1165046276 /nfs/dbraw/zinc/04/62/76/1165046276.db2.gz WFQJYYMMIZWISY-AWEZNQCLSA-N 1 1 306.322 0.069 20 5 DCBDMO Cc1[nH]nc(C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1[N+](=O)[O-] ZINC001579514799 1165335492 /nfs/dbraw/zinc/33/54/92/1165335492.db2.gz WQFWCINGWFXMRM-SNVBAGLBSA-N 1 1 323.353 0.596 20 5 DCBDMO O=[N+]([O-])c1c(NCC[N@@H+]2CC[C@H](O)C2)cccc1-c1nn[nH]n1 ZINC001593466337 1167856672 /nfs/dbraw/zinc/85/66/72/1167856672.db2.gz YQKUSIVDWPWINC-VIFPVBQESA-N 1 1 319.325 0.253 20 5 DCBDMO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+](CCO)CC1CC1 ZINC001593483091 1167867650 /nfs/dbraw/zinc/86/76/50/1167867650.db2.gz UHVWQZGCFASBFP-UHFFFAOYSA-N 1 1 318.337 0.979 20 5 DCBDMO C[C@H]1C[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC001620943557 1167960397 /nfs/dbraw/zinc/96/03/97/1167960397.db2.gz ATWFUJQDJCYXBS-QWRGUYRKSA-N 1 1 308.338 0.355 20 5 DCBDMO O=C([O-])[C@H]1C[NH2+]CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001601853345 1168916653 /nfs/dbraw/zinc/91/66/53/1168916653.db2.gz WGTHGTYBANMFBP-CYBMUJFWSA-N 1 1 309.322 0.722 20 5 DCBDMO O=C([O-])[C@H]1C[NH2+]CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001601853345 1168916657 /nfs/dbraw/zinc/91/66/57/1168916657.db2.gz WGTHGTYBANMFBP-CYBMUJFWSA-N 1 1 309.322 0.722 20 5 DCBDMO C[C@H]1C[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C[C@H]1O ZINC001609174216 1170846364 /nfs/dbraw/zinc/84/63/64/1170846364.db2.gz SLAKUMBLTLPOKN-QPUJVOFHSA-N 1 1 304.310 0.588 20 5 DCBDMO Cn1cc([N+](=O)[O-])c(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC001612293896 1171359763 /nfs/dbraw/zinc/35/97/63/1171359763.db2.gz AMOUROVRYJOPRI-LBPRGKRZSA-N 1 1 309.370 0.877 20 5 DCBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)n1 ZINC001623488859 1171439022 /nfs/dbraw/zinc/43/90/22/1171439022.db2.gz PRYCBVUWNVXOJM-QWRGUYRKSA-N 1 1 323.353 0.092 20 5 DCBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001627864871 1171513290 /nfs/dbraw/zinc/51/32/90/1171513290.db2.gz BHLYMQYWAOIBPS-LLVKDONJSA-N 1 1 322.365 0.754 20 5 DCBDMO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC001632554688 1171619202 /nfs/dbraw/zinc/61/92/02/1171619202.db2.gz WDZVFLXIEURLAN-UHFFFAOYSA-N 1 1 323.353 0.691 20 5 DCBDMO C[N@H+]1CCCC12CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC001632804149 1171625927 /nfs/dbraw/zinc/62/59/27/1171625927.db2.gz AUYFLMLHAIOEKI-UHFFFAOYSA-N 1 1 307.354 0.878 20 5 DCBDMO C[N@@H+](CCO)CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001634744994 1171686761 /nfs/dbraw/zinc/68/67/61/1171686761.db2.gz QAAKKLWJZNCMLM-UHFFFAOYSA-N 1 1 307.310 0.125 20 5 DCBDMO C[N@@H+](CCO)CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001634744994 1171686759 /nfs/dbraw/zinc/68/67/59/1171686759.db2.gz QAAKKLWJZNCMLM-UHFFFAOYSA-N 1 1 307.310 0.125 20 5 DCBDMO C[N@H+](CCO)CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001634744994 1171686760 /nfs/dbraw/zinc/68/67/60/1171686760.db2.gz QAAKKLWJZNCMLM-UHFFFAOYSA-N 1 1 307.310 0.125 20 5 DCBDMO CCc1[nH]nc(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001635942219 1171717513 /nfs/dbraw/zinc/71/75/13/1171717513.db2.gz QTHXNQKXNDKIKV-QMMMGPOBSA-N 1 1 309.326 0.083 20 5 DCBDMO CC(C)c1n[nH]c(C(=O)N(C)CC[N@@H+](C)CCO)c1[N+](=O)[O-] ZINC001641452888 1171916572 /nfs/dbraw/zinc/91/65/72/1171916572.db2.gz GPJRTVRYUWPBRT-UHFFFAOYSA-N 1 1 313.358 0.437 20 5 DCBDMO CC(C)c1[nH]nc(C(=O)N(C)CC[N@H+](C)CCO)c1[N+](=O)[O-] ZINC001641452888 1171916578 /nfs/dbraw/zinc/91/65/78/1171916578.db2.gz GPJRTVRYUWPBRT-UHFFFAOYSA-N 1 1 313.358 0.437 20 5 DCBDMO CC(C)c1[nH]nc(C(=O)N(C)CC[N@@H+](C)CCO)c1[N+](=O)[O-] ZINC001641452888 1171916584 /nfs/dbraw/zinc/91/65/84/1171916584.db2.gz GPJRTVRYUWPBRT-UHFFFAOYSA-N 1 1 313.358 0.437 20 5 DCBDMO C[C@H](C(=O)NC[C@]1(CO)COCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC001642788361 1171956141 /nfs/dbraw/zinc/95/61/41/1171956141.db2.gz QXPOMCHKRGHTHT-NHYWBVRUSA-N 1 1 323.349 0.165 20 5 DCBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1C(=O)NCC1(C)C ZINC001644359601 1172005519 /nfs/dbraw/zinc/00/55/19/1172005519.db2.gz DEWXXMIGSUKDAU-ZDUSSCGKSA-N 1 1 320.349 0.956 20 5 DCBDMO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001644463011 1172008106 /nfs/dbraw/zinc/00/81/06/1172008106.db2.gz WPRVRFGWACJHSO-LLVKDONJSA-N 1 1 306.322 0.068 20 5 DCBDMO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001644463011 1172008111 /nfs/dbraw/zinc/00/81/11/1172008111.db2.gz WPRVRFGWACJHSO-LLVKDONJSA-N 1 1 306.322 0.068 20 5 DCBDMO C[C@H](C(=O)N1CC([NH2+]C2COC2)C1)c1cccc([N+](=O)[O-])c1 ZINC001648030438 1173064179 /nfs/dbraw/zinc/06/41/79/1173064179.db2.gz XDBIKXGJCBSEGA-JTQLQIEISA-N 1 1 305.334 0.898 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C/C=C/CNC(=O)c1ccon1 ZINC001668726737 1174827627 /nfs/dbraw/zinc/82/76/27/1174827627.db2.gz UZHFHWAITLJIFS-NSCUHMNNSA-N 1 1 320.309 0.392 20 5 DCBDMO Cc1nc(CC[NH2+]C/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC001668820215 1174845483 /nfs/dbraw/zinc/84/54/83/1174845483.db2.gz DHFYYTUUKBWRSC-LLGAQUFESA-N 1 1 324.406 0.921 20 5 DCBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001680390978 1175814542 /nfs/dbraw/zinc/81/45/42/1175814542.db2.gz BPDASYFFAZPPPD-LLVKDONJSA-N 1 1 310.358 0.575 20 5 DCBDMO C[N@@H+](CCCNC(=O)c1nnc[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC001689866280 1177093907 /nfs/dbraw/zinc/09/39/07/1177093907.db2.gz XPVFOROSSSLERM-UHFFFAOYSA-N 1 1 318.337 0.965 20 5 DCBDMO Cc1cc(C[NH2+]C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)sn1 ZINC001699650700 1178238979 /nfs/dbraw/zinc/23/89/79/1178238979.db2.gz BTBZWOXGKFUHOJ-GHMZBOCLSA-N 1 1 310.379 0.855 20 5 DCBDMO C[N@H+]1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H]21 ZINC001164669336 719382827 /nfs/dbraw/zinc/38/28/27/719382827.db2.gz UTVULMKKVPUGNZ-WDEREUQCSA-N 1 1 309.282 0.417 20 5 DCBDMO Nc1cc(N2CC[NH+](C[C@@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC001120792839 721912230 /nfs/dbraw/zinc/91/22/30/721912230.db2.gz FROOXBQJJYIBPQ-NSHDSACASA-N 1 1 307.354 0.873 20 5 DCBDMO CC(=O)Nc1ccc(-n2cnc(C[NH3+])cc2=N)cc1[N+](=O)[O-] ZINC001167358999 747131890 /nfs/dbraw/zinc/13/18/90/747131890.db2.gz GIGGOCSNKZBFNJ-UHFFFAOYSA-N 1 1 302.294 0.677 20 5 DCBDMO CCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC001105235425 748075411 /nfs/dbraw/zinc/07/54/11/748075411.db2.gz FDEBWBCKPKYRNW-CHWSQXEVSA-N 1 1 322.369 0.216 20 5 DCBDMO COC(=O)c1cc([N+](=O)[O-])cc(NC(=N)NCCCC[NH3+])n1 ZINC001167878159 748458148 /nfs/dbraw/zinc/45/81/48/748458148.db2.gz PCFCGHFLFVNIPK-UHFFFAOYSA-N 1 1 310.314 0.452 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1ccccn1 ZINC001122579755 751103425 /nfs/dbraw/zinc/10/34/25/751103425.db2.gz USYAVUNRXQUJSV-UHFFFAOYSA-N 1 1 304.310 0.243 20 5 DCBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@H+](C)[C@@H](CO)C1 ZINC000828724354 759083137 /nfs/dbraw/zinc/08/31/37/759083137.db2.gz GXWUHXWVESTSHG-VXGBXAGGSA-N 1 1 322.365 0.530 20 5 DCBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000828724354 759083144 /nfs/dbraw/zinc/08/31/44/759083144.db2.gz GXWUHXWVESTSHG-VXGBXAGGSA-N 1 1 322.365 0.530 20 5 DCBDMO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccccn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086083439 759693004 /nfs/dbraw/zinc/69/30/04/759693004.db2.gz YXRLDXYDZXPIPH-YXCITZCRSA-N 1 1 304.350 0.731 20 5 DCBDMO Cc1nccnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086084171 759693381 /nfs/dbraw/zinc/69/33/81/759693381.db2.gz GRIQIWHJOQXAAJ-GFQSEFKGSA-N 1 1 319.365 0.435 20 5 DCBDMO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccns2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363098 760101536 /nfs/dbraw/zinc/10/15/36/760101536.db2.gz BMGXXOKMYHXHNU-CNVPUSNMSA-N 1 1 310.379 0.793 20 5 DCBDMO COC(=O)[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCOCC1 ZINC001168967891 760534246 /nfs/dbraw/zinc/53/42/46/760534246.db2.gz UKAAWMCTUPPXDO-CYZMBNFOSA-N 1 1 300.355 0.990 20 5 DCBDMO COC(=O)[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCOCC1 ZINC001168967897 760534655 /nfs/dbraw/zinc/53/46/55/760534655.db2.gz UKAAWMCTUPPXDO-WCFLWFBJSA-N 1 1 300.355 0.990 20 5 DCBDMO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169046273 760562401 /nfs/dbraw/zinc/56/24/01/760562401.db2.gz KFIWAKAPYSHGTL-TUAOUCFPSA-N 1 1 313.354 0.185 20 5 DCBDMO C[N@H+]1CCN(c2nnc(C[N+](=O)[O-])n2CC2CC2)CC1(C)C ZINC001123508442 767989361 /nfs/dbraw/zinc/98/93/61/767989361.db2.gz XSQPGYUUVLRVID-UHFFFAOYSA-N 1 1 308.386 0.995 20 5 DCBDMO CCc1cc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)[nH]n1 ZINC001123857418 768065772 /nfs/dbraw/zinc/06/57/72/768065772.db2.gz VAWTYUWPOJSKBH-UHFFFAOYSA-N 1 1 321.341 0.133 20 5 DCBDMO C[N@H+](CCNS(C)(=O)=O)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001116491278 765875873 /nfs/dbraw/zinc/87/58/73/765875873.db2.gz KMZFMCVAQHTBPL-GFCCVEGCSA-N 1 1 317.367 0.109 20 5 DCBDMO C[N@@H+](CCNS(C)(=O)=O)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001116491278 765875879 /nfs/dbraw/zinc/87/58/79/765875879.db2.gz KMZFMCVAQHTBPL-GFCCVEGCSA-N 1 1 317.367 0.109 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NCCC[NH+]2CCN(C)CC2)n1 ZINC001135878233 766150029 /nfs/dbraw/zinc/15/00/29/766150029.db2.gz RYMQQHMWHIIFKR-UHFFFAOYSA-N 1 1 321.381 0.666 20 5 DCBDMO CC(=O)N1CCc2cc(N[C@H](N)CCC[NH3+])cc([N+](=O)[O-])c21 ZINC001170902047 766251849 /nfs/dbraw/zinc/25/18/49/766251849.db2.gz AGIOMXWBMFYBJA-ZDUSSCGKSA-N 1 1 307.354 0.939 20 5 DCBDMO COCC[NH+](CCOC)C1CN(c2ncc([N+](=O)[O-])cn2)C1 ZINC001120857331 767264161 /nfs/dbraw/zinc/26/41/61/767264161.db2.gz AYPRUQZGULJWNW-UHFFFAOYSA-N 1 1 311.342 0.168 20 5 DCBDMO Cn1c[nH+]cc1C1CCN(c2nnc(C[N+](=O)[O-])n2C)CC1 ZINC001121391518 767537295 /nfs/dbraw/zinc/53/72/95/767537295.db2.gz GRYGXJXPYMDGBL-UHFFFAOYSA-N 1 1 305.342 0.709 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CCC(F)(F)F ZINC001125226984 768377384 /nfs/dbraw/zinc/37/73/84/768377384.db2.gz KIRWUUQPIGIRJT-UHFFFAOYSA-N 1 1 323.275 0.877 20 5 DCBDMO O=C(CN1CCCC1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001151097163 769259810 /nfs/dbraw/zinc/25/98/10/769259810.db2.gz KFFLCIYAGKEBCF-UHFFFAOYSA-N 1 1 306.366 0.896 20 5 DCBDMO C[C@@H](C[N+](C)(C)C)Oc1[nH]c(=O)nc2ccc(C(N)=O)cc21 ZINC001234515083 769681002 /nfs/dbraw/zinc/68/10/02/769681002.db2.gz CVMLGFKGYVEABE-VIFPVBQESA-O 1 1 305.358 0.908 20 5 DCBDMO Cn1c(Cl)cnc1C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157767662 771665783 /nfs/dbraw/zinc/66/57/83/771665783.db2.gz RGOBRXYGSKDYRR-RKDXNWHRSA-N 1 1 315.761 0.335 20 5 DCBDMO O=C1C[NH2+]CCN1CCNc1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001161018748 772150140 /nfs/dbraw/zinc/15/01/40/772150140.db2.gz FCJBGHAGSLBFQP-UHFFFAOYSA-N 1 1 316.321 0.382 20 5 DCBDMO CN1CC[NH+](CCCNc2ccc([N+](=O)[O-])c(C(N)=O)n2)CC1 ZINC001161700766 772268110 /nfs/dbraw/zinc/26/81/10/772268110.db2.gz RQWFPKOPEUHJCK-UHFFFAOYSA-N 1 1 322.369 0.138 20 5 DCBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC001162249579 772347296 /nfs/dbraw/zinc/34/72/96/772347296.db2.gz SCTWBBUHJBUCMU-QWRGUYRKSA-N 1 1 308.338 0.517 20 5 DCBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC001162249579 772347302 /nfs/dbraw/zinc/34/73/02/772347302.db2.gz SCTWBBUHJBUCMU-QWRGUYRKSA-N 1 1 308.338 0.517 20 5 DCBDMO C[N@H+](CCO)CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001164119557 772614271 /nfs/dbraw/zinc/61/42/71/772614271.db2.gz CUTRGUZSOVPDCA-UHFFFAOYSA-N 1 1 317.367 0.334 20 5 DCBDMO C[N@@H+](CCO)CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001164119557 772614273 /nfs/dbraw/zinc/61/42/73/772614273.db2.gz CUTRGUZSOVPDCA-UHFFFAOYSA-N 1 1 317.367 0.334 20 5 DCBDMO CNC(=O)N[C@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001193198971 773023286 /nfs/dbraw/zinc/02/32/86/773023286.db2.gz ZTSBWWIUBVXLJD-WCQYABFASA-N 1 1 308.338 0.632 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Nc3ccncc3[N+](=O)[O-])[C@H]2C1 ZINC001215998193 774098242 /nfs/dbraw/zinc/09/82/42/774098242.db2.gz XVFIFBLLQAIJIC-DCAQKATOSA-N 1 1 305.338 0.873 20 5 DCBDMO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ncc([N+](=O)[O-])cn3)C[C@H]1[N@H+]2C ZINC001226734540 775870394 /nfs/dbraw/zinc/87/03/94/775870394.db2.gz YBLUCTHJSMPSJA-SYEHKZFSSA-N 1 1 322.321 0.930 20 5 DCBDMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cnccc1C ZINC001480974583 939507960 /nfs/dbraw/zinc/50/79/60/939507960.db2.gz OZJQINUIDCQBBT-ZIAGYGMSSA-N 1 1 306.366 0.993 20 5 DCBDMO C[NH+]1CCN(C(=O)CNc2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC001318137273 945272048 /nfs/dbraw/zinc/27/20/48/945272048.db2.gz UREHLUNLMRFPLY-UHFFFAOYSA-N 1 1 320.309 0.317 20 5 DCBDMO CCN(CC[NH2+]CCn1nc(C)cc1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001268450514 940126968 /nfs/dbraw/zinc/12/69/68/940126968.db2.gz WVAVNULWMAAAIC-ZIAGYGMSSA-N 1 1 323.397 0.603 20 5 DCBDMO CCn1ccnc1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001126413003 940700399 /nfs/dbraw/zinc/70/03/99/940700399.db2.gz IQKYIECMEKTBKN-UHFFFAOYSA-N 1 1 321.341 0.064 20 5 DCBDMO C[C@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)[C@H]1C[N@H+](C)CCO1 ZINC001137379973 943283736 /nfs/dbraw/zinc/28/37/36/943283736.db2.gz WYDZBVFGZSTYEE-NKWVEPMBSA-N 1 1 317.733 0.420 20 5 DCBDMO C[C@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)[C@H]1C[N@@H+](C)CCO1 ZINC001137379973 943283741 /nfs/dbraw/zinc/28/37/41/943283741.db2.gz WYDZBVFGZSTYEE-NKWVEPMBSA-N 1 1 317.733 0.420 20 5 DCBDMO C[N@@H+](CCNC(=O)Cn1cncn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001317469371 944989826 /nfs/dbraw/zinc/98/98/26/944989826.db2.gz DIDCAQZBGCWABM-UHFFFAOYSA-N 1 1 318.337 0.435 20 5 DCBDMO O=C1C[NH2+]CCN1Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247712263 945569402 /nfs/dbraw/zinc/56/94/02/945569402.db2.gz CYEWTXDQRBOLDV-UHFFFAOYSA-N 1 1 322.256 0.111 20 5 DCBDMO O=c1cc2c(n[nH]1)CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC001320532114 945916008 /nfs/dbraw/zinc/91/60/08/945916008.db2.gz NBENNNBLYABIDS-UHFFFAOYSA-N 1 1 317.305 0.310 20 5 DCBDMO Cc1nccnc1C[NH2+]CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001322505564 946704143 /nfs/dbraw/zinc/70/41/43/946704143.db2.gz MPURPNQTKLQNGL-DGCLKSJQSA-N 1 1 307.354 0.388 20 5 DCBDMO C[NH+]1CCN(C2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)CC1 ZINC001329881142 949947588 /nfs/dbraw/zinc/94/75/88/949947588.db2.gz IJEJMNUOZSRYLI-UHFFFAOYSA-N 1 1 322.369 0.170 20 5 DCBDMO Cc1nn(C)c(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC001331612658 951194180 /nfs/dbraw/zinc/19/41/80/951194180.db2.gz MGWHJIDMJZEOCH-ONGXEEELSA-N 1 1 324.385 0.001 20 5 DCBDMO Cn1c(CCC[N+](=O)[O-])nnc1N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001338798538 953052592 /nfs/dbraw/zinc/05/25/92/953052592.db2.gz XSHRGQODBCLIGX-VXGBXAGGSA-N 1 1 308.386 0.555 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC001342488604 953292032 /nfs/dbraw/zinc/29/20/32/953292032.db2.gz PBXFVESQRLHEPV-GFCCVEGCSA-N 1 1 309.370 0.898 20 5 DCBDMO C[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC001353316076 956016748 /nfs/dbraw/zinc/01/67/48/956016748.db2.gz MGUGECZBKXOADT-APHBMKBZSA-N 1 1 322.409 0.852 20 5 DCBDMO C[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCN1C ZINC001353316076 956016761 /nfs/dbraw/zinc/01/67/61/956016761.db2.gz MGUGECZBKXOADT-APHBMKBZSA-N 1 1 322.409 0.852 20 5 DCBDMO CN(C)c1[nH+]cc(CNC(=O)c2ccc([N+](=O)[O-])cc2N)n1C ZINC001292994247 957225656 /nfs/dbraw/zinc/22/56/56/957225656.db2.gz UTXKSZUYWKSLQI-UHFFFAOYSA-N 1 1 318.337 0.907 20 5 DCBDMO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001296787708 958049001 /nfs/dbraw/zinc/04/90/01/958049001.db2.gz BPZKZHHCXNPTJN-XJFOESAGSA-N 1 1 310.398 0.326 20 5 DCBDMO CC[C@@H](C)[NH+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001449636770 1014601304 /nfs/dbraw/zinc/60/13/04/1014601304.db2.gz FXGLPXUSHMYGHI-GFCCVEGCSA-N 1 1 322.365 0.699 20 5 DCBDMO C[N@H+](CCNC(=O)CCNC(N)=O)Cc1cccc([N+](=O)[O-])c1 ZINC001492848769 995443254 /nfs/dbraw/zinc/44/32/54/995443254.db2.gz FUDBMQKWYHRMLO-UHFFFAOYSA-N 1 1 323.353 0.201 20 5 DCBDMO C[N@@H+](CCNC(=O)CCNC(N)=O)Cc1cccc([N+](=O)[O-])c1 ZINC001492848769 995443261 /nfs/dbraw/zinc/44/32/61/995443261.db2.gz FUDBMQKWYHRMLO-UHFFFAOYSA-N 1 1 323.353 0.201 20 5 DCBDMO Nc1ncc(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC001556663383 1012216189 /nfs/dbraw/zinc/21/61/89/1012216189.db2.gz IQEVKBQITMNYEQ-NSHDSACASA-N 1 1 323.353 0.149 20 5 DCBDMO C[NH+](C)CCNC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001538775839 1012424773 /nfs/dbraw/zinc/42/47/73/1012424773.db2.gz RQAVWAFLGRRFGP-UHFFFAOYSA-N 1 1 315.351 0.290 20 5 DCBDMO CC[C@@H]1C[N@@H+](CC)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001559835119 1012429457 /nfs/dbraw/zinc/42/94/57/1012429457.db2.gz AKLDROZSRBPYMP-TZMCWYRMSA-N 1 1 311.386 0.568 20 5 DCBDMO CC[C@@H]1CN(CC)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001559835119 1012429467 /nfs/dbraw/zinc/42/94/67/1012429467.db2.gz AKLDROZSRBPYMP-TZMCWYRMSA-N 1 1 311.386 0.568 20 5 DCBDMO CC[C@@H]1CN(CC)CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001559835119 1012429476 /nfs/dbraw/zinc/42/94/76/1012429476.db2.gz AKLDROZSRBPYMP-TZMCWYRMSA-N 1 1 311.386 0.568 20 5 DCBDMO Nc1ncc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC001543013671 1012497686 /nfs/dbraw/zinc/49/76/86/1012497686.db2.gz SIQZKAWSUJNHRF-WDEREUQCSA-N 1 1 305.338 0.929 20 5 DCBDMO C[C@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC001545547325 1012566622 /nfs/dbraw/zinc/56/66/22/1012566622.db2.gz JDRDWLMCHIJNNB-GZMMTYOYSA-N 1 1 309.326 0.021 20 5 DCBDMO C[C@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC001545547325 1012566636 /nfs/dbraw/zinc/56/66/36/1012566636.db2.gz JDRDWLMCHIJNNB-GZMMTYOYSA-N 1 1 309.326 0.021 20 5 DCBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@@H](O)C3(O)CCC3)C2)nc1 ZINC001459701287 1012818135 /nfs/dbraw/zinc/81/81/35/1012818135.db2.gz SRMTZGMPASOMDQ-WCQYABFASA-N 1 1 322.365 0.752 20 5 DCBDMO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001460830122 1012972089 /nfs/dbraw/zinc/97/20/89/1012972089.db2.gz GDYIPWALRGXOMZ-DGCLKSJQSA-N 1 1 309.322 0.587 20 5 DCBDMO NC(=O)CC(=O)NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001494534141 1020282730 /nfs/dbraw/zinc/28/27/30/1020282730.db2.gz LXTTULAHYJLFLC-UHFFFAOYSA-N 1 1 306.322 0.018 20 5 DCBDMO NC(=O)[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181534151 199313230 /nfs/dbraw/zinc/31/32/30/199313230.db2.gz BCXIIHNJRWULCB-WCQYABFASA-N 1 1 323.349 0.674 20 5 DCBDMO NC(=O)[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181534151 199313232 /nfs/dbraw/zinc/31/32/32/199313232.db2.gz BCXIIHNJRWULCB-WCQYABFASA-N 1 1 323.349 0.674 20 5 DCBDMO CN(C)c1[nH+]cc(CNC(=O)CCn2cc([N+](=O)[O-])cn2)n1C ZINC000265145809 186339527 /nfs/dbraw/zinc/33/95/27/186339527.db2.gz XHRSOWMCCRWWMK-UHFFFAOYSA-N 1 1 321.341 0.297 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1CN1CCN(c2[nH+]ccn2C)CC1 ZINC000331890246 234241483 /nfs/dbraw/zinc/24/14/83/234241483.db2.gz HMEYUSKYOGCFCD-UHFFFAOYSA-N 1 1 305.342 0.384 20 5 DCBDMO NC(=O)[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000073021307 191269828 /nfs/dbraw/zinc/26/98/28/191269828.db2.gz RIYXBHBYPFITSV-GXTWGEPZSA-N 1 1 323.349 0.674 20 5 DCBDMO NC(=O)[C@H]1CCCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000073021307 191269830 /nfs/dbraw/zinc/26/98/30/191269830.db2.gz RIYXBHBYPFITSV-GXTWGEPZSA-N 1 1 323.349 0.674 20 5 DCBDMO CCC[N@@H+](CC)CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000174643421 198364311 /nfs/dbraw/zinc/36/43/11/198364311.db2.gz LDZKTSKQQJLIMW-UHFFFAOYSA-N 1 1 310.354 0.605 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000315438632 291253273 /nfs/dbraw/zinc/25/32/73/291253273.db2.gz YWZKVIKTYIWPAF-MGPQQGTHSA-N 1 1 309.370 0.369 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000315438632 291253274 /nfs/dbraw/zinc/25/32/74/291253274.db2.gz YWZKVIKTYIWPAF-MGPQQGTHSA-N 1 1 309.370 0.369 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000315438630 291253569 /nfs/dbraw/zinc/25/35/69/291253569.db2.gz YWZKVIKTYIWPAF-HZSPNIEDSA-N 1 1 309.370 0.369 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000315438630 291253570 /nfs/dbraw/zinc/25/35/70/291253570.db2.gz YWZKVIKTYIWPAF-HZSPNIEDSA-N 1 1 309.370 0.369 20 5 DCBDMO CO[C@@H]1COC[C@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000566618336 291315332 /nfs/dbraw/zinc/31/53/32/291315332.db2.gz FORFBMLNMMOFKZ-BFHYXJOUSA-N 1 1 321.333 0.704 20 5 DCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000264706866 204093176 /nfs/dbraw/zinc/09/31/76/204093176.db2.gz FBJOCPDJGNGCTA-CQSZACIVSA-N 1 1 306.366 0.499 20 5 DCBDMO C[N@@H+](CCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)C1CC1 ZINC000264794924 204162592 /nfs/dbraw/zinc/16/25/92/204162592.db2.gz BFPXUFVFCACIAU-UHFFFAOYSA-N 1 1 314.367 0.748 20 5 DCBDMO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CC(=O)N(C)C1=O ZINC000282542060 217074558 /nfs/dbraw/zinc/07/45/58/217074558.db2.gz RNQQKNWKTGBCFA-LLVKDONJSA-N 1 1 309.326 0.261 20 5 DCBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CC(=O)N(C)C1=O ZINC000282542060 217074560 /nfs/dbraw/zinc/07/45/60/217074560.db2.gz RNQQKNWKTGBCFA-LLVKDONJSA-N 1 1 309.326 0.261 20 5 DCBDMO O=[N+]([O-])c1cc(C[N@@H+]2[C@@H](CO)CC[C@H]2CO)c2c(c1)COCO2 ZINC000347343165 254150101 /nfs/dbraw/zinc/15/01/01/254150101.db2.gz RHIIPCHGAXPNQV-BETUJISGSA-N 1 1 324.333 0.779 20 5 DCBDMO O=[N+]([O-])c1cc(C[N@H+]2[C@@H](CO)CC[C@H]2CO)c2c(c1)COCO2 ZINC000347343165 254150102 /nfs/dbraw/zinc/15/01/02/254150102.db2.gz RHIIPCHGAXPNQV-BETUJISGSA-N 1 1 324.333 0.779 20 5 DCBDMO C[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000351825329 254372256 /nfs/dbraw/zinc/37/22/56/254372256.db2.gz XKCVUNHSZRSTEQ-YGRLFVJLSA-N 1 1 305.334 0.797 20 5 DCBDMO C[C@@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000351825329 254372258 /nfs/dbraw/zinc/37/22/58/254372258.db2.gz XKCVUNHSZRSTEQ-YGRLFVJLSA-N 1 1 305.334 0.797 20 5 DCBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1cc([N+](=O)[O-])n[nH]1 ZINC000285698134 131194459 /nfs/dbraw/zinc/19/44/59/131194459.db2.gz HLPCCDPRQDXMFL-SNVBAGLBSA-N 1 1 311.342 0.285 20 5 DCBDMO C[C@H](O)C[N@H+](CCO)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000289384381 131381809 /nfs/dbraw/zinc/38/18/09/131381809.db2.gz CQKRHDYTNRFTBO-NSHDSACASA-N 1 1 323.349 0.159 20 5 DCBDMO C[C@H](O)C[N@@H+](CCO)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000289384381 131381811 /nfs/dbraw/zinc/38/18/11/131381811.db2.gz CQKRHDYTNRFTBO-NSHDSACASA-N 1 1 323.349 0.159 20 5 DCBDMO C[N@@H+](CC(=O)NC1CC1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000024241179 395692889 /nfs/dbraw/zinc/69/28/89/395692889.db2.gz KWBJWHDUUCVVPI-CYBMUJFWSA-N 1 1 323.349 0.545 20 5 DCBDMO C[N@H+](CC(=O)NC1CC1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000024241179 395692890 /nfs/dbraw/zinc/69/28/90/395692890.db2.gz KWBJWHDUUCVVPI-CYBMUJFWSA-N 1 1 323.349 0.545 20 5 DCBDMO O=[N+]([O-])c1ccc2[nH]c(CN3CC[NH+](CCO)CC3)nc2c1 ZINC000033559721 395717852 /nfs/dbraw/zinc/71/78/52/395717852.db2.gz DRVOQCPINLFBMT-UHFFFAOYSA-N 1 1 305.338 0.581 20 5 DCBDMO C[NH+]1CCN(C(=O)CN2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000093215274 395736557 /nfs/dbraw/zinc/73/65/57/395736557.db2.gz CVXFNYQSLZMWCZ-UHFFFAOYSA-N 1 1 318.377 0.727 20 5 DCBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc([N+](=O)[O-])[nH]1 ZINC000270723318 395801005 /nfs/dbraw/zinc/80/10/05/395801005.db2.gz XBPMWGQYEBYENF-NSHDSACASA-N 1 1 310.354 0.890 20 5 DCBDMO Nc1c(C(=O)NCC[NH+]2CCSCC2)cccc1[N+](=O)[O-] ZINC000226643382 395866670 /nfs/dbraw/zinc/86/66/70/395866670.db2.gz KOZQGHXKXRSADV-UHFFFAOYSA-N 1 1 310.379 0.956 20 5 DCBDMO C[C@H](O)C[N@H+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)[C@H](C)C1 ZINC000248667388 395993770 /nfs/dbraw/zinc/99/37/70/395993770.db2.gz PPPFZLBHIDTBTL-MNOVXSKESA-N 1 1 320.353 0.529 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000068468094 396056577 /nfs/dbraw/zinc/05/65/77/396056577.db2.gz NEFDMPIPWDQYMA-GFCCVEGCSA-N 1 1 309.370 0.946 20 5 DCBDMO COc1ccc(NC(=O)C[N@H+](CCO)C2CC2)c([N+](=O)[O-])c1 ZINC000071955958 396126409 /nfs/dbraw/zinc/12/64/09/396126409.db2.gz KUTQJFLBOWTAKI-UHFFFAOYSA-N 1 1 309.322 0.999 20 5 DCBDMO COc1ccc(NC(=O)C[N@@H+](CCO)C2CC2)c([N+](=O)[O-])c1 ZINC000071955958 396126411 /nfs/dbraw/zinc/12/64/11/396126411.db2.gz KUTQJFLBOWTAKI-UHFFFAOYSA-N 1 1 309.322 0.999 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000177046409 396165644 /nfs/dbraw/zinc/16/56/44/396165644.db2.gz BWKQGEHPHRUHEB-KOLCDFICSA-N 1 1 307.354 0.841 20 5 DCBDMO CC(C)[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)[NH+]1CCOCC1 ZINC000079076513 396260655 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O=C1C[C@H]([NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1 ZINC000582428709 396609751 /nfs/dbraw/zinc/60/97/51/396609751.db2.gz XMDKALZEZJKXSQ-ZDUSSCGKSA-N 1 1 319.317 0.853 20 5 DCBDMO COC(=O)[C@H]1CN(Cc2onc(C)c2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000595534688 396627085 /nfs/dbraw/zinc/62/70/85/396627085.db2.gz JVRCQONWOWYVIW-SNVBAGLBSA-N 1 1 312.326 0.428 20 5 DCBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)C1 ZINC000586782150 396665436 /nfs/dbraw/zinc/66/54/36/396665436.db2.gz JWBBXCIUIJGNBI-NSHDSACASA-N 1 1 322.369 0.170 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588863618 396695775 /nfs/dbraw/zinc/69/57/75/396695775.db2.gz RQGCCMIJGKZBQA-VHSXEESVSA-N 1 1 311.363 0.937 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588863618 396695776 /nfs/dbraw/zinc/69/57/76/396695776.db2.gz RQGCCMIJGKZBQA-VHSXEESVSA-N 1 1 311.363 0.937 20 5 DCBDMO CC(C)[NH+](CCNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000314547478 396782786 /nfs/dbraw/zinc/78/27/86/396782786.db2.gz DQPBAXSZUSZWLM-CQSZACIVSA-N 1 1 313.402 0.861 20 5 DCBDMO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)S1 ZINC000304285233 396728823 /nfs/dbraw/zinc/72/88/23/396728823.db2.gz FNLYYKBKRCXULF-JFGNBEQYSA-N 1 1 300.384 0.978 20 5 DCBDMO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccc(N)c([N+](=O)[O-])n1 ZINC000596231448 396739375 /nfs/dbraw/zinc/73/93/75/396739375.db2.gz IYDNTPBPLBMREY-WDEREUQCSA-N 1 1 307.354 0.871 20 5 DCBDMO O=C(CNc1ccccc1[N+](=O)[O-])NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600537170 396887053 /nfs/dbraw/zinc/88/70/53/396887053.db2.gz YDYADGPTNHYFSQ-LLVKDONJSA-N 1 1 308.338 0.190 20 5 DCBDMO NS(=O)(=O)[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000376783151 396978015 /nfs/dbraw/zinc/97/80/15/396978015.db2.gz RCEVYLYDEPNOFM-ZDUSSCGKSA-N 1 1 313.379 0.890 20 5 DCBDMO NS(=O)(=O)[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000376783151 396978019 /nfs/dbraw/zinc/97/80/19/396978019.db2.gz RCEVYLYDEPNOFM-ZDUSSCGKSA-N 1 1 313.379 0.890 20 5 DCBDMO C[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000572461758 397060412 /nfs/dbraw/zinc/06/04/12/397060412.db2.gz ODOLPABVMALZSY-ABAIWWIYSA-N 1 1 307.350 0.881 20 5 DCBDMO O=C1NCCN1[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000377958904 397171250 /nfs/dbraw/zinc/17/12/50/397171250.db2.gz KDCDYWRRLIHYSH-NSHDSACASA-N 1 1 308.342 0.281 20 5 DCBDMO CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000598341900 397216318 /nfs/dbraw/zinc/21/63/18/397216318.db2.gz HZLZLDFKPZZTJW-LLVKDONJSA-N 1 1 308.338 0.357 20 5 DCBDMO CNC(=O)c1ccc(NCC[N@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000599199395 397361141 /nfs/dbraw/zinc/36/11/41/397361141.db2.gz JMUNCKWNMNXHFV-NSHDSACASA-N 1 1 308.338 0.433 20 5 DCBDMO O=[N+]([O-])c1ccc2oc(C[NH+]3C[C@@H](CO)[C@H](CO)C3)nc2c1 ZINC000599530840 397464934 /nfs/dbraw/zinc/46/49/34/397464934.db2.gz ABYUBCLFDARNBB-UWVGGRQHSA-N 1 1 307.306 0.769 20 5 DCBDMO COc1cc(C[NH+]2C[C@@H](CO)[C@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000599531449 397465685 /nfs/dbraw/zinc/46/56/85/397465685.db2.gz YAUIEJHXYFEDGY-QWRGUYRKSA-N 1 1 314.313 0.775 20 5 DCBDMO C[N@@H+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](CO)C1 ZINC000602714622 397468957 /nfs/dbraw/zinc/46/89/57/397468957.db2.gz HUNUJAPPYYZCQY-CQSZACIVSA-N 1 1 323.349 0.570 20 5 DCBDMO C[N@H+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](CO)C1 ZINC000602714622 397468958 /nfs/dbraw/zinc/46/89/58/397468958.db2.gz HUNUJAPPYYZCQY-CQSZACIVSA-N 1 1 323.349 0.570 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000602836676 397498601 /nfs/dbraw/zinc/49/86/01/397498601.db2.gz QQLOMTWMAXLXEG-CQSZACIVSA-N 1 1 323.397 0.896 20 5 DCBDMO C[N@H+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](CO)C1 ZINC000602904127 397519590 /nfs/dbraw/zinc/51/95/90/397519590.db2.gz JEGWHIYQNLMGHF-LBPRGKRZSA-N 1 1 322.365 0.532 20 5 DCBDMO CN1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](CO)C1 ZINC000602904127 397519593 /nfs/dbraw/zinc/51/95/93/397519593.db2.gz JEGWHIYQNLMGHF-LBPRGKRZSA-N 1 1 322.365 0.532 20 5 DCBDMO CN1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](CO)C1 ZINC000602904127 397519597 /nfs/dbraw/zinc/51/95/97/397519597.db2.gz JEGWHIYQNLMGHF-LBPRGKRZSA-N 1 1 322.365 0.532 20 5 DCBDMO CN1CCN(C(=O)C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602989687 397543446 /nfs/dbraw/zinc/54/34/46/397543446.db2.gz ZFUDTBLWNVGEOH-UHFFFAOYSA-N 1 1 320.393 0.843 20 5 DCBDMO CN1CCN(C(=O)C[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602989687 397543448 /nfs/dbraw/zinc/54/34/48/397543448.db2.gz ZFUDTBLWNVGEOH-UHFFFAOYSA-N 1 1 320.393 0.843 20 5 DCBDMO O=C(C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC1CC1 ZINC000604532545 397642317 /nfs/dbraw/zinc/64/23/17/397642317.db2.gz ZSKKBZIBFNHFEI-UHFFFAOYSA-N 1 1 307.306 0.734 20 5 DCBDMO CC[N@@H+](C)CCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000112926835 158143421 /nfs/dbraw/zinc/14/34/21/158143421.db2.gz UVZAMIJPUWBGBT-UHFFFAOYSA-N 1 1 309.322 0.854 20 5 DCBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000161650402 158358623 /nfs/dbraw/zinc/35/86/23/158358623.db2.gz UNQWBMPDDCFMJF-CYBMUJFWSA-N 1 1 324.385 0.773 20 5 DCBDMO C[C@H]1C[NH2+]CCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420411383 287296283 /nfs/dbraw/zinc/29/62/83/287296283.db2.gz BWKGIEUJRLSBIZ-NSHDSACASA-N 1 1 313.379 0.761 20 5 DCBDMO CN(C)C(=O)C(C)(C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000074286538 415429909 /nfs/dbraw/zinc/42/99/09/415429909.db2.gz OTAQTDNJIQFCCB-UHFFFAOYSA-N 1 1 308.338 0.650 20 5 DCBDMO C[C@](O)(CNC(=O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000080896872 415480336 /nfs/dbraw/zinc/48/03/36/415480336.db2.gz PATTVILXWBDIGP-HNNXBMFYSA-N 1 1 323.349 0.408 20 5 DCBDMO O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)N1 ZINC000279133957 415511326 /nfs/dbraw/zinc/51/13/26/415511326.db2.gz WQAMJLJJTJVEOW-AWEZNQCLSA-N 1 1 322.296 0.908 20 5 DCBDMO O=C1NC(=O)[C@@]2(CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)N1 ZINC000279133957 415511333 /nfs/dbraw/zinc/51/13/33/415511333.db2.gz WQAMJLJJTJVEOW-AWEZNQCLSA-N 1 1 322.296 0.908 20 5 DCBDMO O=C([C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1)N1CCCC1 ZINC000287359501 415660313 /nfs/dbraw/zinc/66/03/13/415660313.db2.gz LUHDHJZBRJWSGC-LBPRGKRZSA-N 1 1 307.354 0.736 20 5 DCBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H](c3nnc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000425551220 287317291 /nfs/dbraw/zinc/31/72/91/287317291.db2.gz QACWUWRNDWOHQK-LLVKDONJSA-N 1 1 316.321 0.801 20 5 DCBDMO C[C@@H](O)C[N@@H+](CCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000289931050 415737856 /nfs/dbraw/zinc/73/78/56/415737856.db2.gz UVGOGMQIQBAONI-DGCLKSJQSA-N 1 1 314.338 0.010 20 5 DCBDMO C[N@@H+](C[C@@H](O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1CC1 ZINC000290748229 415822721 /nfs/dbraw/zinc/82/27/21/415822721.db2.gz IJOKNBJCPPFVJF-LLVKDONJSA-N 1 1 319.317 0.646 20 5 DCBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)CN1CC[NH+](C)CC1 ZINC000122099506 415825286 /nfs/dbraw/zinc/82/52/86/415825286.db2.gz OUBXGPSELUILMJ-NSHDSACASA-N 1 1 310.354 0.801 20 5 DCBDMO O=[N+]([O-])c1ccc(NCCCCN2CC[NH+](CCO)CC2)cn1 ZINC000344421728 415912635 /nfs/dbraw/zinc/91/26/35/415912635.db2.gz PPAWYXFVTIZZPJ-UHFFFAOYSA-N 1 1 323.397 0.792 20 5 DCBDMO COC[C@@]1(C(=O)OC)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000296380329 415923878 /nfs/dbraw/zinc/92/38/78/415923878.db2.gz RZQWBTPNTCJCOW-CYBMUJFWSA-N 1 1 312.326 0.303 20 5 DCBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356880935 415999214 /nfs/dbraw/zinc/99/92/14/415999214.db2.gz WJXVDVHYNJEOMK-NSHDSACASA-N 1 1 324.385 0.084 20 5 DCBDMO CCc1nn(C)c(N2CC[NH+](C[C@@H](O)CC)CC2)c1[N+](=O)[O-] ZINC000301943837 416096986 /nfs/dbraw/zinc/09/69/86/416096986.db2.gz YWASDDAEDASMJK-NSHDSACASA-N 1 1 311.386 0.784 20 5 DCBDMO CCc1nn(C)c(N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301931199 416097641 /nfs/dbraw/zinc/09/76/41/416097641.db2.gz OONVLSWSCCHAKV-QWRGUYRKSA-N 1 1 311.386 0.782 20 5 DCBDMO CCc1nn(C)c(N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301931199 416097644 /nfs/dbraw/zinc/09/76/44/416097644.db2.gz OONVLSWSCCHAKV-QWRGUYRKSA-N 1 1 311.386 0.782 20 5 DCBDMO O=[N+]([O-])c1cnc2ccc(NCCC[NH+]3CCOCC3)nn21 ZINC000301937500 416098061 /nfs/dbraw/zinc/09/80/61/416098061.db2.gz RYUSJKICPQAEBL-UHFFFAOYSA-N 1 1 306.326 0.772 20 5 DCBDMO CC[N@H+]1C[C@@H](C)N(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000345740821 416142689 /nfs/dbraw/zinc/14/26/89/416142689.db2.gz PLEZMLORSMVFCE-NWDGAFQWSA-N 1 1 324.385 0.915 20 5 DCBDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000358065038 416185236 /nfs/dbraw/zinc/18/52/36/416185236.db2.gz MUJXWYSEBXGHAQ-NSHDSACASA-N 1 1 310.354 0.774 20 5 DCBDMO CC[N@@H+](CCO)CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000183973341 416249760 /nfs/dbraw/zinc/24/97/60/416249760.db2.gz CDTKEDMDQHUIRM-UHFFFAOYSA-N 1 1 311.338 0.404 20 5 DCBDMO NC(=O)[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000192803888 416311465 /nfs/dbraw/zinc/31/14/65/416311465.db2.gz VCGWXGAIUDDDRR-LBPRGKRZSA-N 1 1 306.322 0.873 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000248181379 416333106 /nfs/dbraw/zinc/33/31/06/416333106.db2.gz WLRGEELJDFRJAW-CFVMTHIKSA-N 1 1 324.381 0.779 20 5 DCBDMO CC[NH+]1CCN(C[C@H](C)CNc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000590574375 416528115 /nfs/dbraw/zinc/52/81/15/416528115.db2.gz IMRZNDCHXWBNJU-GFCCVEGCSA-N 1 1 322.413 1.258 20 5 DCBDMO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000436058999 416548283 /nfs/dbraw/zinc/54/82/83/416548283.db2.gz JQJFHWOSFWNIBE-GFCCVEGCSA-N 1 1 324.385 0.111 20 5 DCBDMO CNc1nccc(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000594368823 416560846 /nfs/dbraw/zinc/56/08/46/416560846.db2.gz PNTDBQXJCAWRKP-NSHDSACASA-N 1 1 321.381 1.493 20 5 DCBDMO CCC[C@]1(CO)CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000444771153 416870042 /nfs/dbraw/zinc/87/00/42/416870042.db2.gz IESQXTFIBVANRA-ZIAGYGMSSA-N 1 1 312.370 0.779 20 5 DCBDMO C[C@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000565431189 416977273 /nfs/dbraw/zinc/97/72/73/416977273.db2.gz IAKSMQBBDHHHHF-SNVBAGLBSA-N 1 1 319.365 1.128 20 5 DCBDMO C[C@@H]1CC[C@H]([N@@H+](CCO)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000429761203 416992829 /nfs/dbraw/zinc/99/28/29/416992829.db2.gz DBLQDBIIRKTCRY-MBNYWOFBSA-N 1 1 312.370 0.635 20 5 DCBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000522901681 417071419 /nfs/dbraw/zinc/07/14/19/417071419.db2.gz RQBIJYVQBYYYMT-GFCCVEGCSA-N 1 1 322.365 0.603 20 5 DCBDMO CCc1nn(C)c(N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000450792377 417269431 /nfs/dbraw/zinc/26/94/31/417269431.db2.gz JYWMASFICQUTEC-PHIMTYICSA-N 1 1 311.386 0.782 20 5 DCBDMO CCc1nn(C)c(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000450792377 417269440 /nfs/dbraw/zinc/26/94/40/417269440.db2.gz JYWMASFICQUTEC-PHIMTYICSA-N 1 1 311.386 0.782 20 5 DCBDMO CCO[C@@H]1COC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451940526 417417298 /nfs/dbraw/zinc/41/72/98/417417298.db2.gz UONDYQDJRWMWGI-DGCLKSJQSA-N 1 1 309.322 0.927 20 5 DCBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000579142107 417690509 /nfs/dbraw/zinc/69/05/09/417690509.db2.gz ZNXJISNRTLZWSY-SNVBAGLBSA-N 1 1 307.354 1.127 20 5 DCBDMO CNc1nccc(C(=O)NCC2=CC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000577624969 417678333 /nfs/dbraw/zinc/67/83/33/417678333.db2.gz ZYTGANJFUYPKLF-UHFFFAOYSA-N 1 1 305.338 1.023 20 5 DCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000354944042 261290494 /nfs/dbraw/zinc/29/04/94/261290494.db2.gz USUMIXFMTCTTBV-JTQLQIEISA-N 1 1 323.353 0.240 20 5 DCBDMO COCC[N@@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411221301 262167339 /nfs/dbraw/zinc/16/73/39/262167339.db2.gz URQLSZIACKROKI-UHFFFAOYSA-N 1 1 311.338 0.864 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000492561461 272135115 /nfs/dbraw/zinc/13/51/15/272135115.db2.gz KGSNVYBKOOIFJX-YVACAVLKSA-N 1 1 305.334 0.791 20 5 DCBDMO O=C([C@@H]1CSC[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000237961935 275006415 /nfs/dbraw/zinc/00/64/15/275006415.db2.gz DCHUZFNGHHBXGU-ZDUSSCGKSA-N 1 1 322.390 0.906 20 5 DCBDMO C[N@H+]1CCO[C@@H]2CN(c3cccc(C(N)=O)c3[N+](=O)[O-])C[C@H]21 ZINC000342707511 277125003 /nfs/dbraw/zinc/12/50/03/277125003.db2.gz STPBRYODZDQITJ-VXGBXAGGSA-N 1 1 306.322 0.213 20 5 DCBDMO COc1ccc(CC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000545860964 288003221 /nfs/dbraw/zinc/00/32/21/288003221.db2.gz DXLWVQDWPMDLPO-HNNXBMFYSA-N 1 1 323.349 0.329 20 5 DCBDMO C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC[NH2+]1 ZINC000122632514 297064743 /nfs/dbraw/zinc/06/47/43/297064743.db2.gz RNOWPMDRLNZFQS-MRVPVSSYSA-N 1 1 303.315 0.716 20 5 DCBDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000261767722 294422139 /nfs/dbraw/zinc/42/21/39/294422139.db2.gz QYLGNJPDADEIIK-JTQLQIEISA-N 1 1 304.310 0.443 20 5 DCBDMO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ncnn1C ZINC000583317683 337314863 /nfs/dbraw/zinc/31/48/63/337314863.db2.gz TYUHQUUOVFOMRQ-MNOVXSKESA-N 1 1 321.337 0.814 20 5 DCBDMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000176385631 524093090 /nfs/dbraw/zinc/09/30/90/524093090.db2.gz DLSJICHTBONETJ-SECBINFHSA-N 1 1 308.338 0.508 20 5 DCBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1[nH]ncc1[N+](=O)[O-] ZINC000128864691 527651822 /nfs/dbraw/zinc/65/18/22/527651822.db2.gz AMKJTVTUYDLZHH-SNVBAGLBSA-N 1 1 311.342 0.285 20 5 DCBDMO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1n[nH]cc1[N+](=O)[O-] ZINC000128864691 527651827 /nfs/dbraw/zinc/65/18/27/527651827.db2.gz AMKJTVTUYDLZHH-SNVBAGLBSA-N 1 1 311.342 0.285 20 5 DCBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1n[nH]cc1[N+](=O)[O-] ZINC000128864691 527651828 /nfs/dbraw/zinc/65/18/28/527651828.db2.gz AMKJTVTUYDLZHH-SNVBAGLBSA-N 1 1 311.342 0.285 20 5 DCBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285544171 535704875 /nfs/dbraw/zinc/70/48/75/535704875.db2.gz LTNBWTVXVNJPRM-NSHDSACASA-N 1 1 324.385 0.321 20 5 DCBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285544166 535716716 /nfs/dbraw/zinc/71/67/16/535716716.db2.gz LTNBWTVXVNJPRM-LLVKDONJSA-N 1 1 324.385 0.321 20 5 DCBDMO COc1c(O)ccc(C[NH2+]C[C@H](C)S(C)(=O)=O)c1[N+](=O)[O-] ZINC001665355335 1174508600 /nfs/dbraw/zinc/50/86/00/1174508600.db2.gz PHISIZRAXHNQFY-QMMMGPOBSA-N 1 1 318.351 0.832 20 5 DCBDMO C[N@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736859389 598499201 /nfs/dbraw/zinc/49/92/01/598499201.db2.gz GVOVTPQHCUZYLC-MRVPVSSYSA-N 1 1 304.314 0.676 20 5 DCBDMO C[C@@]1(C2CC2)COCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000934480586 658440348 /nfs/dbraw/zinc/44/03/48/658440348.db2.gz DHKWWSYRQNKADM-KBPBESRZSA-N 1 1 310.354 0.653 20 5 DCBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ncn[nH]1 ZINC001020782511 658462471 /nfs/dbraw/zinc/46/24/71/658462471.db2.gz UMLNNOGWMYBNOW-XYPYZODXSA-N 1 1 316.321 0.764 20 5 DCBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1nc[nH]n1 ZINC001020782511 658462472 /nfs/dbraw/zinc/46/24/72/658462472.db2.gz UMLNNOGWMYBNOW-XYPYZODXSA-N 1 1 316.321 0.764 20 5 DCBDMO Cn1ncc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000892489984 658718923 /nfs/dbraw/zinc/71/89/23/658718923.db2.gz LMCCAXVISRIRRW-LLVKDONJSA-N 1 1 308.386 0.909 20 5 DCBDMO Cn1ncc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000892489984 658718928 /nfs/dbraw/zinc/71/89/28/658718928.db2.gz LMCCAXVISRIRRW-LLVKDONJSA-N 1 1 308.386 0.909 20 5 DCBDMO Cc1cncc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001025776093 659557520 /nfs/dbraw/zinc/55/75/20/659557520.db2.gz XGTJFQAURWSZBB-QMIVOQANSA-N 1 1 316.361 0.602 20 5 DCBDMO Cc1cncc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001025776093 659557524 /nfs/dbraw/zinc/55/75/24/659557524.db2.gz XGTJFQAURWSZBB-QMIVOQANSA-N 1 1 316.361 0.602 20 5 DCBDMO Cc1cncc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001025776093 659557527 /nfs/dbraw/zinc/55/75/27/659557527.db2.gz XGTJFQAURWSZBB-QMIVOQANSA-N 1 1 316.361 0.602 20 5 DCBDMO O=[N+]([O-])c1c2nonc2ccc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000893159711 659798863 /nfs/dbraw/zinc/79/88/63/659798863.db2.gz STNCAJAEIQHHSS-SECBINFHSA-N 1 1 305.294 0.652 20 5 DCBDMO O=[N+]([O-])c1c2nonc2ccc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000893159711 659798866 /nfs/dbraw/zinc/79/88/66/659798866.db2.gz STNCAJAEIQHHSS-SECBINFHSA-N 1 1 305.294 0.652 20 5 DCBDMO CN(C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[N@@H+](C)C1 ZINC000893753752 661404709 /nfs/dbraw/zinc/40/47/09/661404709.db2.gz TWQIDVMNZHESRS-NSHDSACASA-N 1 1 310.358 0.527 20 5 DCBDMO Cc1nn(C)cc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000983653075 661998974 /nfs/dbraw/zinc/99/89/74/661998974.db2.gz GIPZZPHUDIUNSC-FMKGYKFTSA-N 1 1 321.381 0.378 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)N2Cc1ccccn1 ZINC001029305393 662098572 /nfs/dbraw/zinc/09/85/72/662098572.db2.gz XWIAOLSBNXSXEN-LXTVHRRPSA-N 1 1 316.361 0.922 20 5 DCBDMO C[N@@H+](CCO)CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000899735073 663184013 /nfs/dbraw/zinc/18/40/13/663184013.db2.gz VUFKDBIADISREO-UHFFFAOYSA-N 1 1 301.730 0.902 20 5 DCBDMO C[C@@H](C(=O)NCC[N@@H+](C)CCO)c1ccc([N+](=O)[O-])cc1F ZINC000899738189 663185313 /nfs/dbraw/zinc/18/53/13/663185313.db2.gz WJWWEOOBOZYUFE-SNVBAGLBSA-N 1 1 313.329 0.878 20 5 DCBDMO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCN1C ZINC000900804463 663281952 /nfs/dbraw/zinc/28/19/52/663281952.db2.gz MWYCTIKINDYQGF-IUODEOHRSA-N 1 1 320.393 0.888 20 5 DCBDMO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CN(C)CC[N@@H+]1C ZINC000900804463 663281955 /nfs/dbraw/zinc/28/19/55/663281955.db2.gz MWYCTIKINDYQGF-IUODEOHRSA-N 1 1 320.393 0.888 20 5 DCBDMO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CN(C)CC[N@H+]1C ZINC000900804463 663281956 /nfs/dbraw/zinc/28/19/56/663281956.db2.gz MWYCTIKINDYQGF-IUODEOHRSA-N 1 1 320.393 0.888 20 5 DCBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC[N@@H+](C)CCO ZINC000912604740 664192330 /nfs/dbraw/zinc/19/23/30/664192330.db2.gz NRJYMDIBFYSHPF-UHFFFAOYSA-N 1 1 311.338 0.600 20 5 DCBDMO CN(CC[N@@H+](C)CCO)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000912611731 664195292 /nfs/dbraw/zinc/19/52/92/664195292.db2.gz WIWQFWFJTJFCFH-UHFFFAOYSA-N 1 1 311.338 0.356 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[NH+](CCCCCO)CC1 ZINC000913692530 664713657 /nfs/dbraw/zinc/71/36/57/664713657.db2.gz PTPXRHAQTFEQJP-UHFFFAOYSA-N 1 1 322.365 0.910 20 5 DCBDMO NC(=O)[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3s2)CC[NH2+]1 ZINC000731208814 664844960 /nfs/dbraw/zinc/84/49/60/664844960.db2.gz MPJVMHBOMLOPAX-VIFPVBQESA-N 1 1 307.335 0.468 20 5 DCBDMO Cc1oncc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000997773042 665336337 /nfs/dbraw/zinc/33/63/37/665336337.db2.gz RBSHVNISHKGHQT-ZIAGYGMSSA-N 1 1 322.365 0.976 20 5 DCBDMO CO[C@@H]1C[N@@H+](C)[C@@](C)(COC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000861344914 666920218 /nfs/dbraw/zinc/92/02/18/666920218.db2.gz VVOOCRLFQMILIE-WCQYABFASA-N 1 1 312.326 0.444 20 5 DCBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865535059 667330387 /nfs/dbraw/zinc/33/03/87/667330387.db2.gz OGQTWNQKMVFMRO-NSHDSACASA-N 1 1 312.345 0.884 20 5 DCBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865706400 667340640 /nfs/dbraw/zinc/34/06/40/667340640.db2.gz VCTXRFDUDPGARB-LBPRGKRZSA-N 1 1 324.356 0.638 20 5 DCBDMO C[N@H+]1CCC[C@@H](N2CCN(Cn3nccc3[N+](=O)[O-])CC2)C1 ZINC000738209508 667661084 /nfs/dbraw/zinc/66/10/84/667661084.db2.gz CECAGZRNRWSRPF-CYBMUJFWSA-N 1 1 308.386 0.461 20 5 DCBDMO CC(C)c1[nH+]ccn1CCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000744395668 667826471 /nfs/dbraw/zinc/82/64/71/667826471.db2.gz RIOVJLDNDGSQQY-UHFFFAOYSA-N 1 1 306.326 0.928 20 5 DCBDMO COC(=O)C1CC[NH+](CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839531012 667997317 /nfs/dbraw/zinc/99/73/17/667997317.db2.gz GUWQHDFNPRTAGM-VXGBXAGGSA-N 1 1 313.354 0.043 20 5 DCBDMO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H](O)CN3CCCC3)C2)c1 ZINC000876966840 668544632 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YYYMDBJQBIHCIF-JTQLQIEISA-N 1 1 314.367 0.608 20 5 DCBDMO COc1cccc(C[N@@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001714536481 1181406722 /nfs/dbraw/zinc/40/67/22/1181406722.db2.gz PTVQGFLYDLHCBQ-ZIAGYGMSSA-N 1 1 307.350 0.908 20 5 DCBDMO COc1cccc(C[N@H+](C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001714536481 1181406725 /nfs/dbraw/zinc/40/67/25/1181406725.db2.gz PTVQGFLYDLHCBQ-ZIAGYGMSSA-N 1 1 307.350 0.908 20 5 DCBDMO COc1cccc(C[N@@H+](C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001714536481 1181406728 /nfs/dbraw/zinc/40/67/28/1181406728.db2.gz PTVQGFLYDLHCBQ-ZIAGYGMSSA-N 1 1 307.350 0.908 20 5 DCBDMO C[N@@H+](CCCO)CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001715480297 1181823295 /nfs/dbraw/zinc/82/32/95/1181823295.db2.gz AYDTYYKJLVZDMD-ZIAGYGMSSA-N 1 1 313.398 0.595 20 5 DCBDMO C[N@H+](CCCO)CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001715480297 1181823301 /nfs/dbraw/zinc/82/33/01/1181823301.db2.gz AYDTYYKJLVZDMD-ZIAGYGMSSA-N 1 1 313.398 0.595 20 5 DCBDMO C[N@@H+](CCCO)CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001715480297 1181823309 /nfs/dbraw/zinc/82/33/09/1181823309.db2.gz AYDTYYKJLVZDMD-ZIAGYGMSSA-N 1 1 313.398 0.595 20 5 DCBDMO O=C(NCC1([NH2+]CCn2cccn2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001717149933 1182697279 /nfs/dbraw/zinc/69/72/79/1182697279.db2.gz HXMMGIBUICELIU-VXGBXAGGSA-N 1 1 307.354 0.177 20 5 DCBDMO Cc1ncc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001732850409 1186012657 /nfs/dbraw/zinc/01/26/57/1186012657.db2.gz IAKYXTQAQFZYOJ-LLGAQUFESA-N 1 1 305.338 0.212 20 5 DCBDMO NC(=O)C(=O)NCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001752277948 1188410903 /nfs/dbraw/zinc/41/09/03/1188410903.db2.gz KUIANXHEBKYKCJ-UHFFFAOYSA-N 1 1 320.349 0.551 20 5 DCBDMO Cc1nnsc1C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001754119547 1188749377 /nfs/dbraw/zinc/74/93/77/1188749377.db2.gz MLOCWHXTFFLEIC-JAFKPYBISA-N 1 1 311.367 0.274 20 5 DCBDMO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])c(N)n1 ZINC001164925630 721868703 /nfs/dbraw/zinc/86/87/03/721868703.db2.gz OXGWENSKAFTQDB-VXGBXAGGSA-N 1 1 320.397 0.787 20 5 DCBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])c(N)n1 ZINC001164925630 721868705 /nfs/dbraw/zinc/86/87/05/721868705.db2.gz OXGWENSKAFTQDB-VXGBXAGGSA-N 1 1 320.397 0.787 20 5 DCBDMO Cc1ncc([N+](=O)[O-])c(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC001165038456 721907870 /nfs/dbraw/zinc/90/78/70/721907870.db2.gz LLYYSDWJAUWUFD-LBPRGKRZSA-N 1 1 307.354 0.994 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)C1CC(C)(C)C1 ZINC001126601328 749312294 /nfs/dbraw/zinc/31/22/94/749312294.db2.gz FIVRUWGZEGPIOE-UHFFFAOYSA-N 1 1 309.370 0.970 20 5 DCBDMO Cn1cc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c(C(F)F)n1 ZINC001126936669 750149666 /nfs/dbraw/zinc/14/96/66/750149666.db2.gz PYPIVGGUYLWCFD-RKDXNWHRSA-N 1 1 317.296 0.229 20 5 DCBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1cccc(F)c1 ZINC001126942744 750156185 /nfs/dbraw/zinc/15/61/85/750156185.db2.gz GKXQUHSIBZMRAL-VXGBXAGGSA-N 1 1 324.312 0.135 20 5 DCBDMO O=C(NCC[NH2+]CCOc1cccc(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC001126943724 750156659 /nfs/dbraw/zinc/15/66/59/750156659.db2.gz VTVPPFUHJQSBHY-CHWSQXEVSA-N 1 1 311.313 0.576 20 5 DCBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1C[N@@H+](C)CCN1C ZINC000823784652 758272694 /nfs/dbraw/zinc/27/26/94/758272694.db2.gz OFMGAWUKSYROII-MFKMUULPSA-N 1 1 307.354 0.354 20 5 DCBDMO Cc1nc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)co1 ZINC001086363086 760101180 /nfs/dbraw/zinc/10/11/80/760101180.db2.gz ANGBVHWLLGUCQR-FPQZTECRSA-N 1 1 308.338 0.633 20 5 DCBDMO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cccnc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363171 760101345 /nfs/dbraw/zinc/10/13/45/760101345.db2.gz GBSXDHKPVFWHLW-AAVRWANBSA-N 1 1 304.350 0.731 20 5 DCBDMO CCOC(=O)C1=C(Nc2nccc(N)c2[N+](=O)[O-])CC[NH2+]C1 ZINC001170515034 763500427 /nfs/dbraw/zinc/50/04/27/763500427.db2.gz GHOVQHGBDGYZEN-UHFFFAOYSA-N 1 1 307.310 0.794 20 5 DCBDMO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1nnnn1C ZINC001120558919 767078564 /nfs/dbraw/zinc/07/85/64/767078564.db2.gz LEERCJDTJSAJBD-KOLCDFICSA-N 1 1 322.325 0.209 20 5 DCBDMO O=C(C[NH+]1CCCC1)NCCNCc1ccccc1[N+](=O)[O-] ZINC001151098408 769260281 /nfs/dbraw/zinc/26/02/81/769260281.db2.gz ZTJFNZINWJJGID-UHFFFAOYSA-N 1 1 306.366 0.896 20 5 DCBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])cnc3N)CC[C@H]21 ZINC001171814597 769383179 /nfs/dbraw/zinc/38/31/79/769383179.db2.gz KHFHIZLMXDNCOI-JOYOIKCWSA-N 1 1 305.338 0.738 20 5 DCBDMO O=c1cc(CNc2cc([N+](=O)[O-])ccn2)nc2n1CCC[NH2+]C2 ZINC001155488066 770522315 /nfs/dbraw/zinc/52/23/15/770522315.db2.gz XQJWYSFPGVGYRF-UHFFFAOYSA-N 1 1 316.321 0.652 20 5 DCBDMO COC(=O)[C@@H](CO)Nc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001155929049 770661029 /nfs/dbraw/zinc/66/10/29/770661029.db2.gz QYXJJUMBEOLELZ-ORAHPGNNSA-N 1 1 310.310 0.468 20 5 DCBDMO CCc1noc(C)c1C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157761574 771665144 /nfs/dbraw/zinc/66/51/44/771665144.db2.gz SBPADNKBNHUREZ-ZWNOBZJWSA-N 1 1 310.354 0.807 20 5 DCBDMO CCc1nc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC001157775666 771670750 /nfs/dbraw/zinc/67/07/50/771670750.db2.gz VJXGECKKGJJDTJ-GHMZBOCLSA-N 1 1 312.395 0.967 20 5 DCBDMO O=C1C[NH2+]CCN1CCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001161019079 772150150 /nfs/dbraw/zinc/15/01/50/772150150.db2.gz KEXJZJYAZUNKHJ-UHFFFAOYSA-N 1 1 315.333 0.987 20 5 DCBDMO O=[N+]([O-])c1cc2ccccc2nc1NC[C@]1(CO)COCC[NH2+]1 ZINC001187502764 772195208 /nfs/dbraw/zinc/19/52/08/772195208.db2.gz HDEJXYJGXUJTOP-HNNXBMFYSA-N 1 1 318.333 0.906 20 5 DCBDMO [NH3+][C@@H]1NCN(c2ccc3ccc4cccnc4c3n2)[C@H]2NCN[C@H]21 ZINC001162434972 772372129 /nfs/dbraw/zinc/37/21/29/772372129.db2.gz AXIMDNMVAFQOLC-GVDBMIGSSA-N 1 1 321.388 0.280 20 5 DCBDMO O=c1cc(CNc2ncccc2[N+](=O)[O-])nc2n1CCC[NH2+]C2 ZINC001163116635 772465425 /nfs/dbraw/zinc/46/54/25/772465425.db2.gz VTZDXSOCDWAOFO-UHFFFAOYSA-N 1 1 316.321 0.652 20 5 DCBDMO CC(C)(O)C[C@@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001191763497 772815289 /nfs/dbraw/zinc/81/52/89/772815289.db2.gz JZIAVZHXWMMJDJ-DGCLKSJQSA-N 1 1 324.381 0.998 20 5 DCBDMO CC(C)(O)C[C@H](O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001191763494 772815317 /nfs/dbraw/zinc/81/53/17/772815317.db2.gz JZIAVZHXWMMJDJ-AAEUAGOBSA-N 1 1 324.381 0.998 20 5 DCBDMO NC(=O)C(=O)NCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001493406966 939086400 /nfs/dbraw/zinc/08/64/00/939086400.db2.gz JMIGHAKFOGUMFR-UHFFFAOYSA-N 1 1 306.322 0.161 20 5 DCBDMO NC(=O)C(=O)NCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001493406966 939086404 /nfs/dbraw/zinc/08/64/04/939086404.db2.gz JMIGHAKFOGUMFR-UHFFFAOYSA-N 1 1 306.322 0.161 20 5 DCBDMO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001481229526 939655560 /nfs/dbraw/zinc/65/55/60/939655560.db2.gz RCITXUMKRISYKW-ZIAGYGMSSA-N 1 1 307.350 0.908 20 5 DCBDMO O=C(NCC1([NH2+]CC2CC(F)(F)C2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001269411356 940701388 /nfs/dbraw/zinc/70/13/88/940701388.db2.gz CYXUZLMYAIGBFL-NXEZZACHSA-N 1 1 303.309 0.935 20 5 DCBDMO NC(=O)CC(=O)NC/C=C\C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001482995720 941765311 /nfs/dbraw/zinc/76/53/11/941765311.db2.gz YQBHJONGPGVUDA-UPHRSURJSA-N 1 1 312.351 0.294 20 5 DCBDMO O=C(NC1(C[NH2+]CC2CCC2)CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001484862817 943605439 /nfs/dbraw/zinc/60/54/39/943605439.db2.gz RMGXOEZFVLYFQQ-CHWSQXEVSA-N 1 1 311.382 0.707 20 5 DCBDMO CN(CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)c1nc[nH]n1 ZINC001320060161 945729357 /nfs/dbraw/zinc/72/93/57/945729357.db2.gz CJERIJMOYKJHHR-UHFFFAOYSA-N 1 1 318.337 0.917 20 5 DCBDMO CN(CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)c1nc[nH]n1 ZINC001320060161 945729365 /nfs/dbraw/zinc/72/93/65/945729365.db2.gz CJERIJMOYKJHHR-UHFFFAOYSA-N 1 1 318.337 0.917 20 5 DCBDMO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3C[C@H](O)C[C@@H]3CO)CC2)cc1 ZINC001254468167 946395721 /nfs/dbraw/zinc/39/57/21/946395721.db2.gz GIYAKENUQXFYOK-HZPDHXFCSA-N 1 1 321.377 0.991 20 5 DCBDMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001299563503 946927449 /nfs/dbraw/zinc/92/74/49/946927449.db2.gz MGGMICIUIBCSKE-WDEREUQCSA-N 1 1 322.365 0.704 20 5 DCBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001299563503 946927452 /nfs/dbraw/zinc/92/74/52/946927452.db2.gz MGGMICIUIBCSKE-WDEREUQCSA-N 1 1 322.365 0.704 20 5 DCBDMO NC(=O)c1ccnc(N2CCC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC001324649634 947491050 /nfs/dbraw/zinc/49/10/50/947491050.db2.gz MNYGSRLDCYQAMQ-SNVBAGLBSA-N 1 1 305.338 0.763 20 5 DCBDMO COCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001324864817 947558071 /nfs/dbraw/zinc/55/80/71/947558071.db2.gz UXWGKHJKTKWFHF-CHWSQXEVSA-N 1 1 313.398 0.906 20 5 DCBDMO CN1CCN(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001262557439 947726055 /nfs/dbraw/zinc/72/60/55/947726055.db2.gz BMZOHTLPYUDUFU-OAHLLOKOSA-N 1 1 308.382 0.465 20 5 DCBDMO CCn1c(CCC[N+](=O)[O-])nnc1N1CC[NH+](C2CC2)CC1 ZINC001263008913 947796104 /nfs/dbraw/zinc/79/61/04/947796104.db2.gz LOZQXMUDAZKEGR-UHFFFAOYSA-N 1 1 308.386 0.792 20 5 DCBDMO O=C(NCC1([NH2+]Cc2ccns2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001280480106 950896418 /nfs/dbraw/zinc/89/64/18/950896418.db2.gz BDGKNEXCLPCQOL-GHMZBOCLSA-N 1 1 310.379 0.937 20 5 DCBDMO Cc1nc(N2CC(CN3CC[NH+](C)CC3)C2)ncc1[N+](=O)[O-] ZINC001334936006 952416344 /nfs/dbraw/zinc/41/63/44/952416344.db2.gz OVWVFNRMNCQOTQ-UHFFFAOYSA-N 1 1 306.370 0.377 20 5 DCBDMO C[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC001335369820 952526681 /nfs/dbraw/zinc/52/66/81/952526681.db2.gz YOLGOEXAUADZJG-CJNGLKHVSA-N 1 1 322.409 0.854 20 5 DCBDMO Cn1c(CCC[N+](=O)[O-])nnc1N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001338798532 953052973 /nfs/dbraw/zinc/05/29/73/953052973.db2.gz XSHRGQODBCLIGX-NEPJUHHUSA-N 1 1 308.386 0.555 20 5 DCBDMO Cc1ccc(CNC(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)cc1[N+](=O)[O-] ZINC001348992778 954557871 /nfs/dbraw/zinc/55/78/71/954557871.db2.gz JSYALCJSXTVORZ-IUODEOHRSA-N 1 1 318.377 0.908 20 5 DCBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)C1(O)CCOCC1)CC2 ZINC001354437807 956392605 /nfs/dbraw/zinc/39/26/05/956392605.db2.gz KWRWDHOVPKYJGA-OAHLLOKOSA-N 1 1 322.361 0.855 20 5 DCBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC001308021588 960163983 /nfs/dbraw/zinc/16/39/83/960163983.db2.gz NOJGLSXWVBZFKN-UTUOFQBUSA-N 1 1 323.349 0.454 20 5 DCBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC001308021588 960163991 /nfs/dbraw/zinc/16/39/91/960163991.db2.gz NOJGLSXWVBZFKN-UTUOFQBUSA-N 1 1 323.349 0.454 20 5 DCBDMO Nc1ncc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC001464582166 1015924452 /nfs/dbraw/zinc/92/44/52/1015924452.db2.gz QGUHNMWLENNYGM-NSHDSACASA-N 1 1 305.338 0.882 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001468320862 1016243502 /nfs/dbraw/zinc/24/35/02/1016243502.db2.gz OTSNRWICQLYKIN-QWRGUYRKSA-N 1 1 311.317 0.354 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001468320862 1016243511 /nfs/dbraw/zinc/24/35/11/1016243511.db2.gz OTSNRWICQLYKIN-QWRGUYRKSA-N 1 1 311.317 0.354 20 5 DCBDMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001520037880 1017243498 /nfs/dbraw/zinc/24/34/98/1017243498.db2.gz UTMHGMOEMWZJGW-WFASDCNBSA-N 1 1 318.377 0.642 20 5 DCBDMO CC[N@H+]1CC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001477127674 1017255501 /nfs/dbraw/zinc/25/55/01/1017255501.db2.gz OKEXEHQZZXVACR-SNVBAGLBSA-N 1 1 321.337 0.909 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])c(N(C)CC[N@@H+](C)CCO)n1 ZINC001458492149 1012195108 /nfs/dbraw/zinc/19/51/08/1012195108.db2.gz WKIMISJDMUCSPB-UHFFFAOYSA-N 1 1 312.326 0.137 20 5 DCBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC[N@@H+]1CCO ZINC001556297291 1012198210 /nfs/dbraw/zinc/19/82/10/1012198210.db2.gz XPICCACRFNUCCE-SNVBAGLBSA-N 1 1 308.338 0.316 20 5 DCBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC[N@H+]1CCO ZINC001556297291 1012198217 /nfs/dbraw/zinc/19/82/17/1012198217.db2.gz XPICCACRFNUCCE-SNVBAGLBSA-N 1 1 308.338 0.316 20 5 DCBDMO Cc1cc(OCC(=O)NCC[N@@H+](C)CCO)ccc1[N+](=O)[O-] ZINC001558358776 1012351572 /nfs/dbraw/zinc/35/15/72/1012351572.db2.gz DTLRGJAICLUATJ-UHFFFAOYSA-N 1 1 311.338 0.322 20 5 DCBDMO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@@]3(CO)CCCC[C@@]3(CO)C2)c1 ZINC001460887035 1012984337 /nfs/dbraw/zinc/98/43/37/1012984337.db2.gz AZCRSIZXILIKNY-GASCZTMLSA-N 1 1 324.381 0.638 20 5 DCBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330706835 529887434 /nfs/dbraw/zinc/88/74/34/529887434.db2.gz LNLVUTBGCOHGFA-UHFFFAOYSA-N 1 1 309.370 0.632 20 5 DCBDMO CN(C(=O)C[NH+]1[C@@H](CO)CC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000286707492 219121766 /nfs/dbraw/zinc/12/17/66/219121766.db2.gz AKYVLENFVHSWFB-ZIAGYGMSSA-N 1 1 323.349 0.375 20 5 DCBDMO Cc1nn(C)c(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000272621574 210023351 /nfs/dbraw/zinc/02/33/51/210023351.db2.gz LVYHSWNJCWETHO-WDEREUQCSA-N 1 1 307.354 0.803 20 5 DCBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)NCC[N@@H+]1CC=CCC1 ZINC000279856466 215182953 /nfs/dbraw/zinc/18/29/53/215182953.db2.gz IQNWTLUZGGOMIX-UHFFFAOYSA-N 1 1 308.342 0.352 20 5 DCBDMO C[N@H+]1CCO[C@H]2CCN(c3cccc(C(N)=O)c3[N+](=O)[O-])C[C@@H]21 ZINC000343277617 283030908 /nfs/dbraw/zinc/03/09/08/283030908.db2.gz FIKAHNRFMIYVTN-STQMWFEESA-N 1 1 320.349 0.603 20 5 DCBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000189434477 237398720 /nfs/dbraw/zinc/39/87/20/237398720.db2.gz DIFRZUJNDPRBGO-GFCCVEGCSA-N 1 1 311.386 0.568 20 5 DCBDMO CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000281351713 216241584 /nfs/dbraw/zinc/24/15/84/216241584.db2.gz ZRYJIKYRBFNLJB-HNNXBMFYSA-N 1 1 320.349 0.991 20 5 DCBDMO CNC(=O)[C@@]1(C)CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000281351713 216241588 /nfs/dbraw/zinc/24/15/88/216241588.db2.gz ZRYJIKYRBFNLJB-HNNXBMFYSA-N 1 1 320.349 0.991 20 5 DCBDMO CNC(=O)C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000275445316 212336345 /nfs/dbraw/zinc/33/63/45/212336345.db2.gz HOGBURKRTQYSPO-UHFFFAOYSA-N 1 1 312.301 0.740 20 5 DCBDMO Cc1ccc([C@@H](C)NCC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000567375302 291352081 /nfs/dbraw/zinc/35/20/81/291352081.db2.gz ORIOLKXCCUPSQA-GFCCVEGCSA-N 1 1 306.366 0.986 20 5 DCBDMO [NH3+]Cc1noc(CCCn2c3ccc([N+](=O)[O-])cc3oc2=O)n1 ZINC000567587673 291362722 /nfs/dbraw/zinc/36/27/22/291362722.db2.gz ZZBOMTRWGJIVEV-UHFFFAOYSA-N 1 1 319.277 0.977 20 5 DCBDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H](C)C1 ZINC000340897485 253320034 /nfs/dbraw/zinc/32/00/34/253320034.db2.gz NYBSYOCFKCFSPB-SNVBAGLBSA-N 1 1 324.337 0.632 20 5 DCBDMO COC(=O)CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H](C)C1 ZINC000340897485 253320036 /nfs/dbraw/zinc/32/00/36/253320036.db2.gz NYBSYOCFKCFSPB-SNVBAGLBSA-N 1 1 324.337 0.632 20 5 DCBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000347248079 254141700 /nfs/dbraw/zinc/14/17/00/254141700.db2.gz XHYUAFXLMSSIAV-SNVBAGLBSA-N 1 1 323.353 0.101 20 5 DCBDMO COC(=O)CC[N@@H+]1CCN(c2ncc([N+](=O)[O-])c(C)n2)[C@H](C)C1 ZINC000294824228 533428710 /nfs/dbraw/zinc/42/87/10/533428710.db2.gz ACSODXHSEURZKL-SNVBAGLBSA-N 1 1 323.353 0.767 20 5 DCBDMO COC(=O)CC[N@H+]1CCN(c2ncc([N+](=O)[O-])c(C)n2)[C@H](C)C1 ZINC000294824228 533428718 /nfs/dbraw/zinc/42/87/18/533428718.db2.gz ACSODXHSEURZKL-SNVBAGLBSA-N 1 1 323.353 0.767 20 5 DCBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H](C)O1 ZINC000285451940 131169531 /nfs/dbraw/zinc/16/95/31/131169531.db2.gz MSIYEXUFVUBAEO-AOOOYVTPSA-N 1 1 311.342 0.547 20 5 DCBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](CCO)CCCO)o2)cc1 ZINC000118003779 395857518 /nfs/dbraw/zinc/85/75/18/395857518.db2.gz XMAUSQXUCNQJNY-UHFFFAOYSA-N 1 1 322.321 0.822 20 5 DCBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](CCO)CCCO)o2)cc1 ZINC000118003779 395857522 /nfs/dbraw/zinc/85/75/22/395857522.db2.gz XMAUSQXUCNQJNY-UHFFFAOYSA-N 1 1 322.321 0.822 20 5 DCBDMO Nc1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000047465901 395793694 /nfs/dbraw/zinc/79/36/94/395793694.db2.gz ZHYLUYUGJPZTIJ-UHFFFAOYSA-N 1 1 308.338 0.629 20 5 DCBDMO C[N@H+]1CC[C@H]2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000272537031 395897796 /nfs/dbraw/zinc/89/77/96/395897796.db2.gz BPTIEYOUOFZOMT-WCQYABFASA-N 1 1 307.354 0.734 20 5 DCBDMO NC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000248397186 395985939 /nfs/dbraw/zinc/98/59/39/395985939.db2.gz RIYXBHBYPFITSV-OCCSQVGLSA-N 1 1 323.349 0.674 20 5 DCBDMO NC(=O)[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000248397186 395985942 /nfs/dbraw/zinc/98/59/42/395985942.db2.gz RIYXBHBYPFITSV-OCCSQVGLSA-N 1 1 323.349 0.674 20 5 DCBDMO O=C(CCN1CCc2ccc([N+](=O)[O-])cc2C1)N1CC[NH2+]CC1 ZINC000262006675 396089455 /nfs/dbraw/zinc/08/94/55/396089455.db2.gz FCEZFSKOSIJUSU-UHFFFAOYSA-N 1 1 318.377 0.775 20 5 DCBDMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000261914346 396078867 /nfs/dbraw/zinc/07/88/67/396078867.db2.gz JLDGBNHYCLAJBV-MFKMUULPSA-N 1 1 308.338 0.500 20 5 DCBDMO C[C@]1(O)CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000177971263 396186440 /nfs/dbraw/zinc/18/64/40/396186440.db2.gz MSKURIREEBZWHM-HNNXBMFYSA-N 1 1 305.334 0.941 20 5 DCBDMO C[C@]1(O)CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000177971263 396186446 /nfs/dbraw/zinc/18/64/46/396186446.db2.gz MSKURIREEBZWHM-HNNXBMFYSA-N 1 1 305.334 0.941 20 5 DCBDMO CC[N@H+]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000264666900 396301137 /nfs/dbraw/zinc/30/11/37/396301137.db2.gz XNENKIZSSLAWGF-UHFFFAOYSA-N 1 1 308.338 0.311 20 5 DCBDMO C[N@H+]1CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000192726608 396436571 /nfs/dbraw/zinc/43/65/71/396436571.db2.gz HRAKVFFECXERPU-UHFFFAOYSA-N 1 1 320.349 0.489 20 5 DCBDMO NC(=O)C[C@H]([NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269741929 396441637 /nfs/dbraw/zinc/44/16/37/396441637.db2.gz WDKNBLLIQMJJMK-VIFPVBQESA-N 1 1 300.702 0.067 20 5 DCBDMO C[NH+]1CCN(Cc2cn(-c3ccc([N+](=O)[O-])cn3)nn2)CC1 ZINC000594650135 396493842 /nfs/dbraw/zinc/49/38/42/396493842.db2.gz SDRAXSTYYLLMOT-UHFFFAOYSA-N 1 1 303.326 0.318 20 5 DCBDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000584776321 396623061 /nfs/dbraw/zinc/62/30/61/396623061.db2.gz VDWWXWGTNZXJFC-LBPRGKRZSA-N 1 1 318.337 0.454 20 5 DCBDMO Cc1c(C[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)cccc1[N+](=O)[O-] ZINC000374010566 396631195 /nfs/dbraw/zinc/63/11/95/396631195.db2.gz AIYKGQOMJIRBFN-JSGCOSHPSA-N 1 1 305.334 0.993 20 5 DCBDMO Cc1c(C[N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)cccc1[N+](=O)[O-] ZINC000374010566 396631197 /nfs/dbraw/zinc/63/11/97/396631197.db2.gz AIYKGQOMJIRBFN-JSGCOSHPSA-N 1 1 305.334 0.993 20 5 DCBDMO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588860175 396695993 /nfs/dbraw/zinc/69/59/93/396695993.db2.gz FDVOMOHTGUMBOO-QWRGUYRKSA-N 1 1 311.363 0.937 20 5 DCBDMO C[C@@H](c1cnn(C)c1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305858561 396754372 /nfs/dbraw/zinc/75/43/72/396754372.db2.gz WUFKOHLZLSNBEM-GXFFZTMASA-N 1 1 308.342 0.579 20 5 DCBDMO Cc1nn(CCC(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000590776543 396841182 /nfs/dbraw/zinc/84/11/82/396841182.db2.gz WTBHYDSOYMFPAM-OLZOCXBDSA-N 1 1 321.381 0.961 20 5 DCBDMO C[C@H](C(=O)NCC[N@H+]1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000600535642 396884980 /nfs/dbraw/zinc/88/49/80/396884980.db2.gz RVPPECYJEDCHNA-SMDDNHRTSA-N 1 1 307.350 0.881 20 5 DCBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000591438343 396920469 /nfs/dbraw/zinc/92/04/69/396920469.db2.gz GCZAHDAXOSMANQ-LBPRGKRZSA-N 1 1 319.365 0.699 20 5 DCBDMO CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000572831122 397099127 /nfs/dbraw/zinc/09/91/27/397099127.db2.gz YXXXJPIMLISNNY-JTQLQIEISA-N 1 1 314.367 0.705 20 5 DCBDMO CNC(=O)c1ccc(N2CC[N@H+](C)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC000601980455 397279908 /nfs/dbraw/zinc/27/99/08/397279908.db2.gz XSECAAXYXFJGHM-NSHDSACASA-N 1 1 308.338 0.067 20 5 DCBDMO CNC(=O)c1ccc(N2CC[N@@H+](C)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC000601980455 397279913 /nfs/dbraw/zinc/27/99/13/397279913.db2.gz XSECAAXYXFJGHM-NSHDSACASA-N 1 1 308.338 0.067 20 5 DCBDMO C[N@@H+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)[C@H](CO)C1 ZINC000601979239 397280305 /nfs/dbraw/zinc/28/03/05/397280305.db2.gz BHNMDDZNHGEIDW-QMMMGPOBSA-N 1 1 309.351 0.712 20 5 DCBDMO C[N@H+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)[C@H](CO)C1 ZINC000601979239 397280308 /nfs/dbraw/zinc/28/03/08/397280308.db2.gz BHNMDDZNHGEIDW-QMMMGPOBSA-N 1 1 309.351 0.712 20 5 DCBDMO O=C1CC[C@@H](C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)N1 ZINC000593018058 397313098 /nfs/dbraw/zinc/31/30/98/397313098.db2.gz JUBNSCLLULPICY-WDEREUQCSA-N 1 1 305.338 0.755 20 5 DCBDMO COC(=O)[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1C1CC1 ZINC000593131549 397332897 /nfs/dbraw/zinc/33/28/97/397332897.db2.gz NXDXUFQVCYTXCN-NWDGAFQWSA-N 1 1 308.338 0.922 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@H+]2CC[C@H](O)C2)n1 ZINC000599199626 397361327 /nfs/dbraw/zinc/36/13/27/397361327.db2.gz NQVNLJCJZWBFMO-VIFPVBQESA-N 1 1 310.310 0.255 20 5 DCBDMO CS(=O)(=O)N1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000400276427 397318203 /nfs/dbraw/zinc/31/82/03/397318203.db2.gz ZEOKDJCVWHDTLS-JTQLQIEISA-N 1 1 317.342 0.857 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000602821124 397495255 /nfs/dbraw/zinc/49/52/55/397495255.db2.gz LEAGRRMOOHQLJO-BXUZGUMPSA-N 1 1 310.354 0.980 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000602821124 397495259 /nfs/dbraw/zinc/49/52/59/397495259.db2.gz LEAGRRMOOHQLJO-BXUZGUMPSA-N 1 1 310.354 0.980 20 5 DCBDMO CN(CC(=O)N1CC[NH+](C)CC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000602989182 397543655 /nfs/dbraw/zinc/54/36/55/397543655.db2.gz GKHFYOVUBGZGSR-UHFFFAOYSA-N 1 1 324.356 0.940 20 5 DCBDMO C[N@H+]1CC[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000609201970 397763546 /nfs/dbraw/zinc/76/35/46/397763546.db2.gz GODNXDOLEMOJHT-GFCCVEGCSA-N 1 1 319.365 0.590 20 5 DCBDMO Nc1c(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000321806252 159011921 /nfs/dbraw/zinc/01/19/21/159011921.db2.gz YHWIKHHBYHWKDM-MNOVXSKESA-N 1 1 320.349 0.770 20 5 DCBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1ccncc1[N+](=O)[O-] ZINC000367908553 159364417 /nfs/dbraw/zinc/36/44/17/159364417.db2.gz VWACOKJURKVNQG-MNOVXSKESA-N 1 1 321.337 0.396 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1COC[C@H]1O ZINC000352807649 415327043 /nfs/dbraw/zinc/32/70/43/415327043.db2.gz WYIHYCJQYFLWPO-UONOGXRCSA-N 1 1 323.349 0.923 20 5 DCBDMO C[C@](O)(CNC(=O)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000080895591 415478213 /nfs/dbraw/zinc/47/82/13/415478213.db2.gz AFSIJOYNFGQQHN-HNNXBMFYSA-N 1 1 323.349 0.408 20 5 DCBDMO C[C@@](O)(CNC(=O)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000080895587 415479721 /nfs/dbraw/zinc/47/97/21/415479721.db2.gz AFSIJOYNFGQQHN-OAHLLOKOSA-N 1 1 323.349 0.408 20 5 DCBDMO CN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000343553358 415636006 /nfs/dbraw/zinc/63/60/06/415636006.db2.gz VXLLNXBZVFKLHQ-LLVKDONJSA-N 1 1 308.338 0.309 20 5 DCBDMO COCC[NH+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000106907111 415651903 /nfs/dbraw/zinc/65/19/03/415651903.db2.gz GJCGBUOWVWQNMY-UHFFFAOYSA-N 1 1 322.365 0.458 20 5 DCBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H](c3nnc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000425551223 287317269 /nfs/dbraw/zinc/31/72/69/287317269.db2.gz QACWUWRNDWOHQK-NSHDSACASA-N 1 1 316.321 0.801 20 5 DCBDMO C[N@@H+](C[C@H](O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1CC1 ZINC000290748231 415824238 /nfs/dbraw/zinc/82/42/38/415824238.db2.gz IJOKNBJCPPFVJF-NSHDSACASA-N 1 1 319.317 0.646 20 5 DCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000127852311 415892567 /nfs/dbraw/zinc/89/25/67/415892567.db2.gz BVADPJGUAHOFDG-MNOVXSKESA-N 1 1 307.354 0.885 20 5 DCBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000344760120 415983619 /nfs/dbraw/zinc/98/36/19/415983619.db2.gz OAEDIJJGAZBIPF-LBPRGKRZSA-N 1 1 323.397 0.926 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000173365139 416056652 /nfs/dbraw/zinc/05/66/52/416056652.db2.gz OYLNKPSOHHEUAC-AAEUAGOBSA-N 1 1 320.353 0.755 20 5 DCBDMO C[C@H]1[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000345290780 416072333 /nfs/dbraw/zinc/07/23/33/416072333.db2.gz LHIMOAWUOVAZFB-WDEREUQCSA-N 1 1 308.338 0.355 20 5 DCBDMO COc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000345314232 416077599 /nfs/dbraw/zinc/07/75/99/416077599.db2.gz PPUCZDMXUNHDQE-SECBINFHSA-N 1 1 315.351 0.586 20 5 DCBDMO COc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000345314232 416077603 /nfs/dbraw/zinc/07/76/03/416077603.db2.gz PPUCZDMXUNHDQE-SECBINFHSA-N 1 1 315.351 0.586 20 5 DCBDMO C[N@H+]1CC[C@@](O)(CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000358080176 416190046 /nfs/dbraw/zinc/19/00/46/416190046.db2.gz ZUEJYHABROMCHN-OAHLLOKOSA-N 1 1 307.350 0.710 20 5 DCBDMO CC[N@@H+](CCO)CCNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000183957903 416250984 /nfs/dbraw/zinc/25/09/84/416250984.db2.gz UGBAIJNBAKIELL-UHFFFAOYSA-N 1 1 311.338 0.647 20 5 DCBDMO O=C1[C@@H]([N@H+]2C[C@@H](O)C[C@H]2CO)CCN1c1cccc([N+](=O)[O-])c1 ZINC000186528542 416256152 /nfs/dbraw/zinc/25/61/52/416256152.db2.gz FOJXZIVPHOUHME-IHRRRGAJSA-N 1 1 321.333 0.128 20 5 DCBDMO O=C1[C@@H]([N@@H+]2C[C@@H](O)C[C@H]2CO)CCN1c1cccc([N+](=O)[O-])c1 ZINC000186528542 416256157 /nfs/dbraw/zinc/25/61/57/416256157.db2.gz FOJXZIVPHOUHME-IHRRRGAJSA-N 1 1 321.333 0.128 20 5 DCBDMO CNc1nccc(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000582429035 416454368 /nfs/dbraw/zinc/45/43/68/416454368.db2.gz HXNBWTDZFUPVMU-NSHDSACASA-N 1 1 321.381 1.492 20 5 DCBDMO CNc1nccc(C(=O)NCC[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000590422884 416526515 /nfs/dbraw/zinc/52/65/15/416526515.db2.gz KCYIAOKKYHFTST-NSHDSACASA-N 1 1 321.381 1.493 20 5 DCBDMO COCC[N@@H+](C)CCCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000537180277 416551563 /nfs/dbraw/zinc/55/15/63/416551563.db2.gz LEMVUDGGSAAOQP-UHFFFAOYSA-N 1 1 311.342 0.270 20 5 DCBDMO O=[N+]([O-])c1cccc2ncnc(NCC[N@@H+]3CC[C@H](O)C3)c21 ZINC000599199857 416609298 /nfs/dbraw/zinc/60/92/98/416609298.db2.gz UJMZZVSPSMYCIA-JTQLQIEISA-N 1 1 303.322 1.017 20 5 DCBDMO CC(C)OCCC[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441470168 416673858 /nfs/dbraw/zinc/67/38/58/416673858.db2.gz UANZVPGLWYZWPQ-ZDUSSCGKSA-N 1 1 300.359 0.899 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H](n3ccnn3)C2)c1 ZINC000425505739 416711861 /nfs/dbraw/zinc/71/18/61/416711861.db2.gz ZBZLVWBSNJJTTC-AAEUAGOBSA-N 1 1 321.341 0.081 20 5 DCBDMO CC[N@@H+](C)C[C@@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000518791089 416876793 /nfs/dbraw/zinc/87/67/93/416876793.db2.gz WGRASXZBRPCLSK-CYBMUJFWSA-N 1 1 311.386 0.741 20 5 DCBDMO CCN(C)C[C@@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000518791089 416876798 /nfs/dbraw/zinc/87/67/98/416876798.db2.gz WGRASXZBRPCLSK-CYBMUJFWSA-N 1 1 311.386 0.741 20 5 DCBDMO CCO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000451938577 417417589 /nfs/dbraw/zinc/41/75/89/417417589.db2.gz OMUQIEQJGBMSEQ-DGCLKSJQSA-N 1 1 309.322 0.587 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCCc3c[nH]nc32)c1 ZINC000576220121 417590276 /nfs/dbraw/zinc/59/02/76/417590276.db2.gz DGLFLEGXYKUWPW-NEPJUHHUSA-N 1 1 306.326 0.543 20 5 DCBDMO O=C1CCCN1[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000531109479 417606585 /nfs/dbraw/zinc/60/65/85/417606585.db2.gz GVVBHDNIRMOZLN-GFCCVEGCSA-N 1 1 307.354 0.878 20 5 DCBDMO NC(=O)c1ccc(N2CC[NH+]([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000362138110 262003928 /nfs/dbraw/zinc/00/39/28/262003928.db2.gz ANXZPNHEMPGUNQ-LBPRGKRZSA-N 1 1 320.349 0.605 20 5 DCBDMO COc1ccc(OCC[N@H+]2C[C@H](O)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000459714465 272007010 /nfs/dbraw/zinc/00/70/10/272007010.db2.gz UTLCUDQKPDSKGJ-GWCFXTLKSA-N 1 1 312.322 0.267 20 5 DCBDMO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000459787364 272009121 /nfs/dbraw/zinc/00/91/21/272009121.db2.gz BYINCDIEEMCMAP-JIMOISOXSA-N 1 1 309.322 0.925 20 5 DCBDMO C[C@@H]1C[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000490320755 272072943 /nfs/dbraw/zinc/07/29/43/272072943.db2.gz RXXAAJJTIFWIPD-MNOVXSKESA-N 1 1 310.358 0.573 20 5 DCBDMO CC[N@@H+](CCNS(=O)(=O)c1cccnc1[N+](=O)[O-])C(C)C ZINC000548369719 288136610 /nfs/dbraw/zinc/13/66/10/288136610.db2.gz NIUSDDBRRIWVNH-UHFFFAOYSA-N 1 1 316.383 0.998 20 5 DCBDMO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[NH2+]CC1 ZINC000237751737 280364824 /nfs/dbraw/zinc/36/48/24/280364824.db2.gz LNJKHWAIGGIVRM-UHFFFAOYSA-N 1 1 305.743 0.842 20 5 DCBDMO COc1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000123490400 295015484 /nfs/dbraw/zinc/01/54/84/295015484.db2.gz OMEFUZVWMBKLQM-VIFPVBQESA-N 1 1 315.351 0.586 20 5 DCBDMO C[C@@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000582917673 337217818 /nfs/dbraw/zinc/21/78/18/337217818.db2.gz LZYRKPHBFRINJD-SECBINFHSA-N 1 1 311.342 0.235 20 5 DCBDMO C[C@@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000582917673 337217819 /nfs/dbraw/zinc/21/78/19/337217819.db2.gz LZYRKPHBFRINJD-SECBINFHSA-N 1 1 311.342 0.235 20 5 DCBDMO COC(=O)[C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266566840 523950360 /nfs/dbraw/zinc/95/03/60/523950360.db2.gz ZXAFYLSKSNGXPX-JQWIXIFHSA-N 1 1 312.326 0.037 20 5 DCBDMO Cc1[nH+]ccn1CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000299647664 534774189 /nfs/dbraw/zinc/77/41/89/534774189.db2.gz RTBFCAMSKARBGK-UHFFFAOYSA-N 1 1 305.294 0.078 20 5 DCBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000247442635 524562756 /nfs/dbraw/zinc/56/27/56/524562756.db2.gz MALFJCVRCFPHRP-WCQYABFASA-N 1 1 324.385 0.773 20 5 DCBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261603783 527378320 /nfs/dbraw/zinc/37/83/20/527378320.db2.gz AWWGIUTUIHDYDF-GFCCVEGCSA-N 1 1 316.321 0.359 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCOC[C@@H]2CC2CC2)c1 ZINC000933211072 658560419 /nfs/dbraw/zinc/56/04/19/658560419.db2.gz YTJJMRXCROQEEN-JSGCOSHPSA-N 1 1 310.354 0.653 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCOC3CCC3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776112 659557277 /nfs/dbraw/zinc/55/72/77/659557277.db2.gz YTNRACMXLIZDQT-RGDJUOJXSA-N 1 1 309.366 0.267 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@H+](CCOC3CCC3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025776112 659557279 /nfs/dbraw/zinc/55/72/79/659557279.db2.gz YTNRACMXLIZDQT-RGDJUOJXSA-N 1 1 309.366 0.267 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCOC3CCC3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025776112 659557281 /nfs/dbraw/zinc/55/72/81/659557281.db2.gz YTNRACMXLIZDQT-RGDJUOJXSA-N 1 1 309.366 0.267 20 5 DCBDMO C[C@H]1C[N@@H+](CCCOC(=O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000893390420 659621562 /nfs/dbraw/zinc/62/15/62/659621562.db2.gz FOKWVWXCEYKBTO-NSHDSACASA-N 1 1 312.326 0.445 20 5 DCBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000893752520 661404779 /nfs/dbraw/zinc/40/47/79/661404779.db2.gz MOZBRLFXILNFQN-JQWIXIFHSA-N 1 1 308.342 0.137 20 5 DCBDMO C[N@H+]1C[C@H]2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000893752524 661404794 /nfs/dbraw/zinc/40/47/94/661404794.db2.gz MOZBRLFXILNFQN-ZYHUDNBSSA-N 1 1 308.342 0.137 20 5 DCBDMO C[N@H+]1CC[C@H]1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000928568462 662132535 /nfs/dbraw/zinc/13/25/35/662132535.db2.gz GJWYMYYLFSNSKG-LBPRGKRZSA-N 1 1 303.322 0.765 20 5 DCBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1C[N@@H+](C)CCN1C ZINC000896575911 662294215 /nfs/dbraw/zinc/29/42/15/662294215.db2.gz DBWCXKGYBAPGSH-PWSUYJOCSA-N 1 1 309.370 0.297 20 5 DCBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896580779 662295207 /nfs/dbraw/zinc/29/52/07/662295207.db2.gz NJEXUALYNYZXST-RISCZKNCSA-N 1 1 306.366 0.959 20 5 DCBDMO NC(=O)C[NH+]1CCC(NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000742040549 666037346 /nfs/dbraw/zinc/03/73/46/666037346.db2.gz MZERUXVNCPUTKP-UHFFFAOYSA-N 1 1 320.349 0.203 20 5 DCBDMO CO[C@@H]1C[N@@H+](C)[C@@](C)(COC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000861349318 666920458 /nfs/dbraw/zinc/92/04/58/666920458.db2.gz RXELYKCYTNANGA-TVQRCGJNSA-N 1 1 312.326 0.594 20 5 DCBDMO Cn1cncc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001034644025 667089464 /nfs/dbraw/zinc/08/94/64/667089464.db2.gz YKEUPKPYIYMOEM-HBJVGIJOSA-N 1 1 321.381 0.602 20 5 DCBDMO Cc1cc(F)cc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000863322518 667129054 /nfs/dbraw/zinc/12/90/54/667129054.db2.gz WJYHBMKLAQCEHF-LLVKDONJSA-N 1 1 311.313 0.839 20 5 DCBDMO O=[N+]([O-])c1ccc(-n2cc(CCC[NH+]3CCOCC3)nn2)nc1 ZINC000864629249 667268049 /nfs/dbraw/zinc/26/80/49/667268049.db2.gz GTFSSCFFQVUYHV-UHFFFAOYSA-N 1 1 318.337 0.835 20 5 DCBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC3(C2)OCCO3)c1 ZINC000741779697 667776868 /nfs/dbraw/zinc/77/68/68/667776868.db2.gz ZYKSKHCYKVRGOD-CYBMUJFWSA-N 1 1 324.333 0.783 20 5 DCBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC3(C2)OCCO3)c1 ZINC000741779697 667776870 /nfs/dbraw/zinc/77/68/70/667776870.db2.gz ZYKSKHCYKVRGOD-CYBMUJFWSA-N 1 1 324.333 0.783 20 5 DCBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)[C@H]1C[N@H+](C)CCO1 ZINC000758384053 668171325 /nfs/dbraw/zinc/17/13/25/668171325.db2.gz PSUGVWRVKUKGQE-LDYMZIIASA-N 1 1 309.326 0.021 20 5 DCBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)[C@H]1C[N@@H+](C)CCO1 ZINC000758384053 668171328 /nfs/dbraw/zinc/17/13/28/668171328.db2.gz PSUGVWRVKUKGQE-LDYMZIIASA-N 1 1 309.326 0.021 20 5 DCBDMO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000777564991 668889049 /nfs/dbraw/zinc/88/90/49/668889049.db2.gz COPIIBGFIFPJED-MRVPVSSYSA-N 1 1 321.259 0.749 20 5 DCBDMO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000777564991 668889050 /nfs/dbraw/zinc/88/90/50/668889050.db2.gz COPIIBGFIFPJED-MRVPVSSYSA-N 1 1 321.259 0.749 20 5 DCBDMO CC1(C)CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@@H+]1CCO ZINC000781681144 669054406 /nfs/dbraw/zinc/05/44/06/669054406.db2.gz GJFLFJXMIYFLOB-UHFFFAOYSA-N 1 1 323.353 0.101 20 5 DCBDMO CC1(C)CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@H+]1CCO ZINC000781681144 669054407 /nfs/dbraw/zinc/05/44/07/669054407.db2.gz GJFLFJXMIYFLOB-UHFFFAOYSA-N 1 1 323.353 0.101 20 5 DCBDMO CN1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000880131191 669163039 /nfs/dbraw/zinc/16/30/39/669163039.db2.gz IBQOXTKYINJHHK-HZSPNIEDSA-N 1 1 309.370 0.321 20 5 DCBDMO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000880131191 669163045 /nfs/dbraw/zinc/16/30/45/669163045.db2.gz IBQOXTKYINJHHK-HZSPNIEDSA-N 1 1 309.370 0.321 20 5 DCBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000880131191 669163048 /nfs/dbraw/zinc/16/30/48/669163048.db2.gz IBQOXTKYINJHHK-HZSPNIEDSA-N 1 1 309.370 0.321 20 5 DCBDMO C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000783910198 669180248 /nfs/dbraw/zinc/18/02/48/669180248.db2.gz DBBYKPQLJOVILM-CHWSQXEVSA-N 1 1 309.366 0.970 20 5 DCBDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000783910198 669180251 /nfs/dbraw/zinc/18/02/51/669180251.db2.gz DBBYKPQLJOVILM-CHWSQXEVSA-N 1 1 309.366 0.970 20 5 DCBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000783910198 669180255 /nfs/dbraw/zinc/18/02/55/669180255.db2.gz DBBYKPQLJOVILM-CHWSQXEVSA-N 1 1 309.366 0.970 20 5 DCBDMO C[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1CO ZINC000931407678 669195627 /nfs/dbraw/zinc/19/56/27/669195627.db2.gz KJKUKYLRZAHQIL-LLVKDONJSA-N 1 1 306.322 0.844 20 5 DCBDMO C[N@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1CO ZINC000931407678 669195628 /nfs/dbraw/zinc/19/56/28/669195628.db2.gz KJKUKYLRZAHQIL-LLVKDONJSA-N 1 1 306.322 0.844 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880579720 669241677 /nfs/dbraw/zinc/24/16/77/669241677.db2.gz UPONNVAJAKXGJA-CYBMUJFWSA-N 1 1 324.381 0.963 20 5 DCBDMO CC[N@H+]1[C@H](C)CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000880610364 669249315 /nfs/dbraw/zinc/24/93/15/669249315.db2.gz NRBZUAIFUFQPPU-TXEJJXNPSA-N 1 1 322.365 0.698 20 5 DCBDMO CC[N@@H+]1[C@H](C)CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000880610364 669249319 /nfs/dbraw/zinc/24/93/19/669249319.db2.gz NRBZUAIFUFQPPU-TXEJJXNPSA-N 1 1 322.365 0.698 20 5 DCBDMO O=C1CO[C@@]2(CC[N@@H+](CC[N+](=O)[O-])C2)CN1Cc1ccccc1 ZINC000931705270 669253692 /nfs/dbraw/zinc/25/36/92/669253692.db2.gz WRRCHQFENOIQJY-MRXNPFEDSA-N 1 1 319.361 0.767 20 5 DCBDMO O=C1CO[C@@]2(CC[N@H+](CC[N+](=O)[O-])C2)CN1Cc1ccccc1 ZINC000931705270 669253694 /nfs/dbraw/zinc/25/36/94/669253694.db2.gz WRRCHQFENOIQJY-MRXNPFEDSA-N 1 1 319.361 0.767 20 5 DCBDMO C[N@H+]1C[C@@H]2CN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000933741600 669530066 /nfs/dbraw/zinc/53/00/66/669530066.db2.gz YFRKLIKGDFMKDW-XBFCOCLRSA-N 1 1 309.370 0.036 20 5 DCBDMO CN1C[C@@H]2C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000933741600 669530090 /nfs/dbraw/zinc/53/00/90/669530090.db2.gz YFRKLIKGDFMKDW-XBFCOCLRSA-N 1 1 309.370 0.036 20 5 DCBDMO CN1C[C@@H]2C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000933741600 669530094 /nfs/dbraw/zinc/53/00/94/669530094.db2.gz YFRKLIKGDFMKDW-XBFCOCLRSA-N 1 1 309.370 0.036 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000933891553 669548883 /nfs/dbraw/zinc/54/88/83/669548883.db2.gz IJMJYYHXQKAEEZ-NEPJUHHUSA-N 1 1 307.354 0.795 20 5 DCBDMO C[C@@H]1CSCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000934301086 669592856 /nfs/dbraw/zinc/59/28/56/669592856.db2.gz SSCTVHYPXWXDSS-PWSUYJOCSA-N 1 1 300.384 0.980 20 5 DCBDMO Cc1nn(CN2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000795692381 669907854 /nfs/dbraw/zinc/90/78/54/669907854.db2.gz PKCOGTJDUCGPMZ-AAEUAGOBSA-N 1 1 309.370 0.852 20 5 DCBDMO O=C(NCC1CC[NH+](C2CCOCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000855200608 670685955 /nfs/dbraw/zinc/68/59/55/670685955.db2.gz GVOAJHMOWYJEKL-ZIAGYGMSSA-N 1 1 311.382 0.659 20 5 DCBDMO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2nnc3n2CCC3)cc1 ZINC000818946269 671078739 /nfs/dbraw/zinc/07/87/39/671078739.db2.gz IQWQIQPWZFOGAA-GFCCVEGCSA-N 1 1 303.322 0.956 20 5 DCBDMO NC(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCOCC1 ZINC000852492952 671134065 /nfs/dbraw/zinc/13/40/65/671134065.db2.gz BCGBFPLZQWFTGU-UHFFFAOYSA-N 1 1 324.293 0.627 20 5 DCBDMO NC(=O)c1cc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000853242426 671223798 /nfs/dbraw/zinc/22/37/98/671223798.db2.gz SFCMRLLQDDMKMN-NWDGAFQWSA-N 1 1 320.349 0.969 20 5 DCBDMO Cc1nn(C)c(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000827340090 671523643 /nfs/dbraw/zinc/52/36/43/671523643.db2.gz XMGVKGMWFYTQLO-WDEREUQCSA-N 1 1 307.354 0.803 20 5 DCBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830865335 671644351 /nfs/dbraw/zinc/64/43/51/671644351.db2.gz MDPBAUDZYHZLGN-MRVWCRGKSA-N 1 1 324.333 0.484 20 5 DCBDMO CC[NH2+]Cc1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000843224282 672072066 /nfs/dbraw/zinc/07/20/66/672072066.db2.gz NSZZFJGHKZYTQN-UHFFFAOYSA-N 1 1 319.321 0.946 20 5 DCBDMO Cc1csc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001020138910 693709769 /nfs/dbraw/zinc/70/97/69/693709769.db2.gz HOKPRTYKANQFRT-GWOFURMSSA-N 1 1 310.379 0.854 20 5 DCBDMO Cc1ncsc1CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020139918 693711009 /nfs/dbraw/zinc/71/10/09/693711009.db2.gz RFMZTXBZGWCGFW-DDHJBXDOSA-N 1 1 324.406 0.896 20 5 DCBDMO O=C(NCCN1CC[NH+](CC2CCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001566649208 1160110962 /nfs/dbraw/zinc/11/09/62/1160110962.db2.gz LUNVOPJCXDMEMY-HUUCEWRRSA-N 1 1 324.425 0.576 20 5 DCBDMO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1NCC[N@@H+]1CC[C@H](O)C1 ZINC001593483350 1167866907 /nfs/dbraw/zinc/86/69/07/1167866907.db2.gz NZPVRRAXXSOVPS-VIFPVBQESA-N 1 1 319.325 0.253 20 5 DCBDMO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1CCC[C@@H](O)C1 ZINC001593483048 1167868986 /nfs/dbraw/zinc/86/89/86/1167868986.db2.gz SKAGSZHLWDSKKP-SECBINFHSA-N 1 1 304.310 0.732 20 5 DCBDMO COCC[N@@H+](C)CCNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001605095157 1169821336 /nfs/dbraw/zinc/82/13/36/1169821336.db2.gz ZDHUHRRRJIGBTQ-UHFFFAOYSA-N 1 1 321.341 0.765 20 5 DCBDMO C[C@@H]1CN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC001609376247 1170953861 /nfs/dbraw/zinc/95/38/61/1170953861.db2.gz GLWIGEJXPHYGIA-DTORHVGOSA-N 1 1 318.341 0.699 20 5 DCBDMO C[C@@H]1CN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC001609376247 1170953864 /nfs/dbraw/zinc/95/38/64/1170953864.db2.gz GLWIGEJXPHYGIA-DTORHVGOSA-N 1 1 318.341 0.699 20 5 DCBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)C[NH+]1CCOCC1 ZINC001634351436 1171672108 /nfs/dbraw/zinc/67/21/08/1171672108.db2.gz SLXGKLNMFKUGTE-LLVKDONJSA-N 1 1 322.365 0.875 20 5 DCBDMO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001641267348 1171909943 /nfs/dbraw/zinc/90/99/43/1171909943.db2.gz DZNAGFOKFYDRKH-UBHSHLNASA-N 1 1 323.324 0.883 20 5 DCBDMO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001641267348 1171909955 /nfs/dbraw/zinc/90/99/55/1171909955.db2.gz DZNAGFOKFYDRKH-UBHSHLNASA-N 1 1 323.324 0.883 20 5 DCBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC001641820775 1171929693 /nfs/dbraw/zinc/92/96/93/1171929693.db2.gz QNMRDKRYFZJAHB-GFCCVEGCSA-N 1 1 317.305 0.810 20 5 DCBDMO Cc1cc([N+](=O)[O-])cnc1NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001643317233 1171971937 /nfs/dbraw/zinc/97/19/37/1171971937.db2.gz XHFCZNWNUHAEGS-SWLSCSKDSA-N 1 1 322.365 0.936 20 5 DCBDMO Cn1ncc2c1CCC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC001643410162 1171975290 /nfs/dbraw/zinc/97/52/90/1171975290.db2.gz HKKPATDVXXUDHH-CYBMUJFWSA-N 1 1 320.353 0.334 20 5 DCBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001643803137 1171987074 /nfs/dbraw/zinc/98/70/74/1171987074.db2.gz KWPKSRHZQXPIPY-WCQYABFASA-N 1 1 320.349 0.579 20 5 DCBDMO CN1C(=O)[C@H]2C[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]2C1=O ZINC001644189553 1171999096 /nfs/dbraw/zinc/99/90/96/1171999096.db2.gz AMTMXJVQLAHEPF-FRRDWIJNSA-N 1 1 319.317 0.175 20 5 DCBDMO CCc1[nH+]ccn1CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC001644455582 1172008171 /nfs/dbraw/zinc/00/81/71/1172008171.db2.gz TWBUYTHLXDCGEM-UHFFFAOYSA-N 1 1 306.326 0.757 20 5 DCBDMO Cc1[nH+]c2c(n1CCO)CC[C@@H](Nc1nn(C)cc1[N+](=O)[O-])C2 ZINC001652001710 1173760328 /nfs/dbraw/zinc/76/03/28/1173760328.db2.gz HEJJZPCYNDPOLZ-SNVBAGLBSA-N 1 1 320.353 0.795 20 5 DCBDMO CCOc1cc(NC[C@@]2(CO)COCC[NH2+]2)ccc1[N+](=O)[O-] ZINC001652189359 1173764882 /nfs/dbraw/zinc/76/48/82/1173764882.db2.gz VOXOTGMVGOZZQW-CQSZACIVSA-N 1 1 311.338 0.756 20 5 DCBDMO CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cn(C)nc1C ZINC001660525294 1174003819 /nfs/dbraw/zinc/00/38/19/1174003819.db2.gz RZXLXVVWHNOQMO-ZIAGYGMSSA-N 1 1 323.397 0.722 20 5 DCBDMO CC[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cn(C)nc1C ZINC001660525294 1174003825 /nfs/dbraw/zinc/00/38/25/1174003825.db2.gz RZXLXVVWHNOQMO-ZIAGYGMSSA-N 1 1 323.397 0.722 20 5 DCBDMO CC[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cn(C)nc1C ZINC001660525294 1174003831 /nfs/dbraw/zinc/00/38/31/1174003831.db2.gz RZXLXVVWHNOQMO-ZIAGYGMSSA-N 1 1 323.397 0.722 20 5 DCBDMO CC[N@@H+](C)CCC(=O)NCCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001690129973 1177177945 /nfs/dbraw/zinc/17/79/45/1177177945.db2.gz UXEYKAIGJPRRIB-UHFFFAOYSA-N 1 1 309.370 0.884 20 5 DCBDMO CCn1nnc(C)c1C[NH2+]CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001699506077 1178170511 /nfs/dbraw/zinc/17/05/11/1178170511.db2.gz DKWCLLLQUFPFAR-VXGBXAGGSA-N 1 1 324.385 0.210 20 5 DCBDMO O=C(NCC[NH2+]CCc1ccc2c(c1)CCO2)[C@@H]1CC1[N+](=O)[O-] ZINC001126938746 750151649 /nfs/dbraw/zinc/15/16/49/750151649.db2.gz JFQJVFPTUUFRAA-ZIAGYGMSSA-N 1 1 319.361 0.535 20 5 DCBDMO Cc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)on1 ZINC001086082551 759691387 /nfs/dbraw/zinc/69/13/87/759691387.db2.gz TZTHUPWGENIIBA-LYIQGSDWSA-N 1 1 308.338 0.633 20 5 DCBDMO Cc1ncc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001086363120 760101644 /nfs/dbraw/zinc/10/16/44/760101644.db2.gz CPSWSZHBMVDORX-FPQZTECRSA-N 1 1 308.338 0.633 20 5 DCBDMO CSCCC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001123189828 767943685 /nfs/dbraw/zinc/94/36/85/767943685.db2.gz CGNXFTXMSLUBIV-UHFFFAOYSA-N 1 1 301.372 0.287 20 5 DCBDMO COCCN1C[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1=O ZINC001169020119 760559624 /nfs/dbraw/zinc/55/96/24/760559624.db2.gz IMUSWIWNWZKRKV-SYQHCUMBSA-N 1 1 311.382 0.468 20 5 DCBDMO C[N@@H+](CCNc1c2c(ccc1[N+](=O)[O-])NCC2)CCOCCO ZINC001119344286 766638120 /nfs/dbraw/zinc/63/81/20/766638120.db2.gz JCRLHZQTFLXTCS-UHFFFAOYSA-N 1 1 324.381 0.915 20 5 DCBDMO Cc1ccncc1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001125195347 768370962 /nfs/dbraw/zinc/37/09/62/768370962.db2.gz NKRAPUFCQBJXEJ-UHFFFAOYSA-N 1 1 318.337 0.551 20 5 DCBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC001176902010 770242815 /nfs/dbraw/zinc/24/28/15/770242815.db2.gz FCKFFAYEWFCEKC-GHMZBOCLSA-N 1 1 305.338 0.881 20 5 DCBDMO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCN1c1cnccn1 ZINC001177015624 770298386 /nfs/dbraw/zinc/29/83/86/770298386.db2.gz KUYBUIUVVULQED-LBPRGKRZSA-N 1 1 317.353 0.792 20 5 DCBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCN1c1cnccn1 ZINC001177015624 770298396 /nfs/dbraw/zinc/29/83/96/770298396.db2.gz KUYBUIUVVULQED-LBPRGKRZSA-N 1 1 317.353 0.792 20 5 DCBDMO CCCn1c(C)nnc1C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157761580 771665094 /nfs/dbraw/zinc/66/50/94/771665094.db2.gz SFMWVVOYZPQENX-VXGBXAGGSA-N 1 1 324.385 0.258 20 5 DCBDMO CC1(C)[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)C[C@@H]1[NH+]1CCOCC1 ZINC001186791082 772091671 /nfs/dbraw/zinc/09/16/71/772091671.db2.gz KEDUJEHTCUPKBF-MNOVXSKESA-N 1 1 322.369 0.878 20 5 DCBDMO C[C@H]1COCC[N@H+]1C1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC001186881477 772100598 /nfs/dbraw/zinc/10/05/98/772100598.db2.gz STATZEHXBJQNOR-JTQLQIEISA-N 1 1 322.369 0.657 20 5 DCBDMO O=C1C[NH2+]CCN1CCNc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001161020004 772150909 /nfs/dbraw/zinc/15/09/09/772150909.db2.gz WMWBKYCYOCHBQK-UHFFFAOYSA-N 1 1 316.321 0.382 20 5 DCBDMO CNC(=O)C[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2N)CC1 ZINC001161139889 772174514 /nfs/dbraw/zinc/17/45/14/772174514.db2.gz OAJVZYGJTGACGL-UHFFFAOYSA-N 1 1 308.342 0.194 20 5 DCBDMO Nc1nc(N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)ncc1[N+](=O)[O-] ZINC001164124249 772614521 /nfs/dbraw/zinc/61/45/21/772614521.db2.gz GUKIZXQROBOBSA-SCZZXKLOSA-N 1 1 310.383 0.959 20 5 DCBDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC001191123211 772722955 /nfs/dbraw/zinc/72/29/55/772722955.db2.gz GTLILAZWSJMONB-VIFPVBQESA-N 1 1 300.340 0.220 20 5 DCBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)NCc1cccc([N+](=O)[O-])c1 ZINC001228677777 776112811 /nfs/dbraw/zinc/11/28/11/776112811.db2.gz CBGOEJRRPJUNMK-CYBMUJFWSA-N 1 1 308.338 0.461 20 5 DCBDMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccnc(OC)c1 ZINC001266390603 939103535 /nfs/dbraw/zinc/10/35/35/939103535.db2.gz DJWUFJXSYQWQGG-CHWSQXEVSA-N 1 1 322.365 0.694 20 5 DCBDMO CCN(CC[NH2+]CCc1cnn(C)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001268450153 940126806 /nfs/dbraw/zinc/12/68/06/940126806.db2.gz QSIGUFMURBZBCA-CHWSQXEVSA-N 1 1 309.370 0.066 20 5 DCBDMO O=C(NCC1([NH2+]CCOc2ccccc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001269411699 940702579 /nfs/dbraw/zinc/70/25/79/940702579.db2.gz PYODLARZCUAWOB-ZIAGYGMSSA-N 1 1 319.361 0.969 20 5 DCBDMO Cc1ccncc1C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001277054396 944641669 /nfs/dbraw/zinc/64/16/69/944641669.db2.gz DQZXKBXPWKOSQW-CHWSQXEVSA-N 1 1 304.350 0.794 20 5 DCBDMO O=C(NCC[NH+]1CC=CC1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001319349931 945567987 /nfs/dbraw/zinc/56/79/87/945567987.db2.gz BALJPAUPQXOSFI-UHFFFAOYSA-N 1 1 319.317 0.968 20 5 DCBDMO NCC[N@H+](CCO)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254464911 946396290 /nfs/dbraw/zinc/39/62/90/946396290.db2.gz NJKQKULNMRKIFI-UHFFFAOYSA-N 1 1 308.382 0.817 20 5 DCBDMO NCC[N@@H+](CCO)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254464911 946396299 /nfs/dbraw/zinc/39/62/99/946396299.db2.gz NJKQKULNMRKIFI-UHFFFAOYSA-N 1 1 308.382 0.817 20 5 DCBDMO O=C1COC[C@@H]2C[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CCN12 ZINC001254609864 946415261 /nfs/dbraw/zinc/41/52/61/946415261.db2.gz ZTCRXMJGNCLYPE-CABCVRRESA-N 1 1 317.345 0.605 20 5 DCBDMO O=C1COC[C@@H]2C[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CCN12 ZINC001254609864 946415264 /nfs/dbraw/zinc/41/52/64/946415264.db2.gz ZTCRXMJGNCLYPE-CABCVRRESA-N 1 1 317.345 0.605 20 5 DCBDMO O=C(NCC=CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ncn[nH]1 ZINC001274448525 951639064 /nfs/dbraw/zinc/63/90/64/951639064.db2.gz RABRCSSYNDRKSF-OWOJBTEDSA-N 1 1 316.321 0.789 20 5 DCBDMO O=C(NCC=CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nc[nH]n1 ZINC001274448525 951639070 /nfs/dbraw/zinc/63/90/70/951639070.db2.gz RABRCSSYNDRKSF-OWOJBTEDSA-N 1 1 316.321 0.789 20 5 DCBDMO C[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC001335369821 952526530 /nfs/dbraw/zinc/52/65/30/952526530.db2.gz YOLGOEXAUADZJG-CZUORRHYSA-N 1 1 322.409 0.854 20 5 DCBDMO C[N@H+]1CC[C@H]2CN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC001348971318 954552724 /nfs/dbraw/zinc/55/27/24/954552724.db2.gz TUHVBNVSVIDPQH-RYUDHWBXSA-N 1 1 320.349 0.309 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC001353286908 956005947 /nfs/dbraw/zinc/00/59/47/956005947.db2.gz YWADLRCOPRGMSX-UHTWSYAYSA-N 1 1 321.381 0.983 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)n1 ZINC001296814561 958052062 /nfs/dbraw/zinc/05/20/62/958052062.db2.gz QHPIFQMDZIATRP-VXGBXAGGSA-N 1 1 322.365 0.825 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)n1 ZINC001296814561 958052069 /nfs/dbraw/zinc/05/20/69/958052069.db2.gz QHPIFQMDZIATRP-VXGBXAGGSA-N 1 1 322.365 0.825 20 5 DCBDMO C[N@@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)C[C@H]1CO ZINC001302339531 960019917 /nfs/dbraw/zinc/01/99/17/960019917.db2.gz HBUHLNOFUUXIBK-NSHDSACASA-N 1 1 318.333 0.825 20 5 DCBDMO C[N@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)C[C@H]1CO ZINC001302339531 960019924 /nfs/dbraw/zinc/01/99/24/960019924.db2.gz HBUHLNOFUUXIBK-NSHDSACASA-N 1 1 318.333 0.825 20 5 DCBDMO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001473763093 1016964722 /nfs/dbraw/zinc/96/47/22/1016964722.db2.gz RODFULSHLUPCSU-LLVKDONJSA-N 1 1 306.322 0.308 20 5 DCBDMO CC[N@H+]1CC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001477127673 1017256009 /nfs/dbraw/zinc/25/60/09/1017256009.db2.gz OKEXEHQZZXVACR-JTQLQIEISA-N 1 1 321.337 0.909 20 5 DCBDMO COC(=O)c1ccnc(N(C)CC[N@@H+](C)CCO)c1[N+](=O)[O-] ZINC001559236792 1012410266 /nfs/dbraw/zinc/41/02/66/1012410266.db2.gz SKUPZDFSBLPWHX-UHFFFAOYSA-N 1 1 312.326 0.137 20 5 DCBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC([NH2+]C2COC2)C1 ZINC001559288931 1012413954 /nfs/dbraw/zinc/41/39/54/1012413954.db2.gz ZFVQKGLSDHFYHY-UHFFFAOYSA-N 1 1 321.333 0.867 20 5 DCBDMO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C(N)=O ZINC001497447578 1018143001 /nfs/dbraw/zinc/14/30/01/1018143001.db2.gz PAGUQXXGZVRBNK-UHFFFAOYSA-N 1 1 300.340 0.080 20 5 DCBDMO C[N@H+](CCC(N)=O)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000286620634 219087879 /nfs/dbraw/zinc/08/78/79/219087879.db2.gz XPJZNQAXZDVUAN-UHFFFAOYSA-N 1 1 305.294 0.952 20 5 DCBDMO C[N@@H+](CCC(N)=O)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000286620634 219087881 /nfs/dbraw/zinc/08/78/81/219087881.db2.gz XPJZNQAXZDVUAN-UHFFFAOYSA-N 1 1 305.294 0.952 20 5 DCBDMO C[NH2+][C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000262519546 530037535 /nfs/dbraw/zinc/03/75/35/530037535.db2.gz KQKBRIZDQKCLKX-CQSZACIVSA-N 1 1 317.349 0.948 20 5 DCBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](CCO)CC1 ZINC000057570905 190687210 /nfs/dbraw/zinc/68/72/10/190687210.db2.gz JUHHVYQIMDSQGV-GFCCVEGCSA-N 1 1 322.365 0.532 20 5 DCBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000331028658 232373784 /nfs/dbraw/zinc/37/37/84/232373784.db2.gz RAOHPWPQKMYRBB-JTQLQIEISA-N 1 1 310.354 0.840 20 5 DCBDMO NC(=O)c1ccc(N2CCN(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000290918052 283378786 /nfs/dbraw/zinc/37/87/86/283378786.db2.gz HWARCGSHPDZXFN-UHFFFAOYSA-N 1 1 316.321 0.743 20 5 DCBDMO CN(C)C1(C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1 ZINC000186972823 237333088 /nfs/dbraw/zinc/33/30/88/237333088.db2.gz FUMBEMLCBCVLMY-ZDUSSCGKSA-N 1 1 311.386 0.568 20 5 DCBDMO CN(C)C1(C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1 ZINC000186972823 237333094 /nfs/dbraw/zinc/33/30/94/237333094.db2.gz FUMBEMLCBCVLMY-ZDUSSCGKSA-N 1 1 311.386 0.568 20 5 DCBDMO C[N@H+](CCNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000316698502 291254631 /nfs/dbraw/zinc/25/46/31/291254631.db2.gz PLSKCOMDKPQRKQ-CQSZACIVSA-N 1 1 311.386 0.616 20 5 DCBDMO C[N@@H+](CCNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000316698502 291254632 /nfs/dbraw/zinc/25/46/32/291254632.db2.gz PLSKCOMDKPQRKQ-CQSZACIVSA-N 1 1 311.386 0.616 20 5 DCBDMO COc1ccc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000264769289 204143003 /nfs/dbraw/zinc/14/30/03/204143003.db2.gz VDIHAHXSMASALS-LBPRGKRZSA-N 1 1 322.365 0.579 20 5 DCBDMO CN1CC[NH+](CCCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000288454526 220153169 /nfs/dbraw/zinc/15/31/69/220153169.db2.gz GAAOJIVPNOGYCW-UHFFFAOYSA-N 1 1 321.381 0.544 20 5 DCBDMO CN(C(=O)C[N@H+](CCO)CCCO)c1ccc([N+](=O)[O-])cc1 ZINC000109797911 194287186 /nfs/dbraw/zinc/28/71/86/194287186.db2.gz GVXKENWFOVVCIP-UHFFFAOYSA-N 1 1 311.338 0.234 20 5 DCBDMO CN(C(=O)C[N@@H+](CCO)CCCO)c1ccc([N+](=O)[O-])cc1 ZINC000109797911 194287188 /nfs/dbraw/zinc/28/71/88/194287188.db2.gz GVXKENWFOVVCIP-UHFFFAOYSA-N 1 1 311.338 0.234 20 5 DCBDMO COC(=O)[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1C ZINC000346691008 254083650 /nfs/dbraw/zinc/08/36/50/254083650.db2.gz VJEBNONXMMGZNV-ZYHUDNBSSA-N 1 1 309.322 0.640 20 5 DCBDMO Cc1[nH]nc(C(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000347118976 254131156 /nfs/dbraw/zinc/13/11/56/254131156.db2.gz ADOOOQWBZIIPKF-VIFPVBQESA-N 1 1 311.342 0.155 20 5 DCBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000347821253 254194708 /nfs/dbraw/zinc/19/47/08/254194708.db2.gz IYCBGRIHXCPGLJ-VIFPVBQESA-N 1 1 304.310 0.517 20 5 DCBDMO O=C(NCC[NH+]1CCC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351501601 254340544 /nfs/dbraw/zinc/34/05/44/254340544.db2.gz IZLNASPLPDMFFW-UHFFFAOYSA-N 1 1 310.285 0.494 20 5 DCBDMO C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000299637306 533283977 /nfs/dbraw/zinc/28/39/77/533283977.db2.gz MAVFXYCQHYECEL-LBPRGKRZSA-N 1 1 306.366 0.847 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1COC[C@H]1O ZINC000285628923 131188253 /nfs/dbraw/zinc/18/82/53/131188253.db2.gz RCZJJTHHKAQHAO-ZIAGYGMSSA-N 1 1 323.349 0.923 20 5 DCBDMO CS[C@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000270795305 395809743 /nfs/dbraw/zinc/80/97/43/395809743.db2.gz VSXOTQLWWSXOHO-BDAKNGLRSA-N 1 1 313.383 0.744 20 5 DCBDMO CC[N@@H+](C)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000049320566 395831347 /nfs/dbraw/zinc/83/13/47/395831347.db2.gz XXLVYUPMAPDJEE-UHFFFAOYSA-N 1 1 302.356 0.606 20 5 DCBDMO CCCc1n[nH]c(C(=O)NCC[N@@H+](C)CCOC)c1[N+](=O)[O-] ZINC000109621805 395798198 /nfs/dbraw/zinc/79/81/98/395798198.db2.gz WMGXVEISFIHHJK-UHFFFAOYSA-N 1 1 313.358 0.578 20 5 DCBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@H]2C1 ZINC000272551481 395899394 /nfs/dbraw/zinc/89/93/94/395899394.db2.gz CYYYEMGSFHZHHX-YPMHNXCESA-N 1 1 320.349 0.309 20 5 DCBDMO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCO1 ZINC000119149871 395867648 /nfs/dbraw/zinc/86/76/48/395867648.db2.gz YKNLOGFHUIUIFU-BXUZGUMPSA-N 1 1 307.350 0.973 20 5 DCBDMO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000119149871 395867652 /nfs/dbraw/zinc/86/76/52/395867652.db2.gz YKNLOGFHUIUIFU-BXUZGUMPSA-N 1 1 307.350 0.973 20 5 DCBDMO C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1C[N@H+](C)CCO1 ZINC000119176375 395867887 /nfs/dbraw/zinc/86/78/87/395867887.db2.gz KDXBNSJZWGBXHT-JQWIXIFHSA-N 1 1 311.342 0.017 20 5 DCBDMO C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1C[N@@H+](C)CCO1 ZINC000119176375 395867889 /nfs/dbraw/zinc/86/78/89/395867889.db2.gz KDXBNSJZWGBXHT-JQWIXIFHSA-N 1 1 311.342 0.017 20 5 DCBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000153765750 396025879 /nfs/dbraw/zinc/02/58/79/396025879.db2.gz LYCFIXQDFOULTF-CYBMUJFWSA-N 1 1 322.365 0.555 20 5 DCBDMO COC(=O)c1cnc(NCC[N@@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000276861540 396032864 /nfs/dbraw/zinc/03/28/64/396032864.db2.gz ZCTVJNUVXAUHJP-UHFFFAOYSA-N 1 1 324.337 0.911 20 5 DCBDMO COC(=O)c1cnc(NCC[N@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000276861540 396032865 /nfs/dbraw/zinc/03/28/65/396032865.db2.gz ZCTVJNUVXAUHJP-UHFFFAOYSA-N 1 1 324.337 0.911 20 5 DCBDMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000261990262 396087549 /nfs/dbraw/zinc/08/75/49/396087549.db2.gz SQOIGFWDWZRKGF-MFKMUULPSA-N 1 1 308.338 0.500 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069797621 396091150 /nfs/dbraw/zinc/09/11/50/396091150.db2.gz KXOREVQMMUBCHE-GFCCVEGCSA-N 1 1 309.370 0.877 20 5 DCBDMO COCC[N@@H+](C)CCCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000277872139 396092337 /nfs/dbraw/zinc/09/23/37/396092337.db2.gz LWTBCIYNTZSSGN-UHFFFAOYSA-N 1 1 312.326 0.394 20 5 DCBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000277614020 396077791 /nfs/dbraw/zinc/07/77/91/396077791.db2.gz BBLPTJALKNQSAS-SNVBAGLBSA-N 1 1 310.310 0.146 20 5 DCBDMO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@]2(CCOC2)O1 ZINC000280320222 396192953 /nfs/dbraw/zinc/19/29/53/396192953.db2.gz GYQSRZWLJLYJNL-DOMZBBRYSA-N 1 1 323.349 0.636 20 5 DCBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@]2(CCOC2)O1 ZINC000280320222 396192956 /nfs/dbraw/zinc/19/29/56/396192956.db2.gz GYQSRZWLJLYJNL-DOMZBBRYSA-N 1 1 323.349 0.636 20 5 DCBDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000264495259 396285509 /nfs/dbraw/zinc/28/55/09/396285509.db2.gz YWPVAHFCNGUZJL-CYBMUJFWSA-N 1 1 320.393 0.889 20 5 DCBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N1CCNC(=O)C1 ZINC000282388114 396286463 /nfs/dbraw/zinc/28/64/63/396286463.db2.gz GOVTYSVYONMNSX-UHFFFAOYSA-N 1 1 320.349 0.028 20 5 DCBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N1CCNC(=O)C1 ZINC000282388114 396286464 /nfs/dbraw/zinc/28/64/64/396286464.db2.gz GOVTYSVYONMNSX-UHFFFAOYSA-N 1 1 320.349 0.028 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000080959276 396289965 /nfs/dbraw/zinc/28/99/65/396289965.db2.gz GIWUYIDPHPDPNI-AAEUAGOBSA-N 1 1 320.353 0.755 20 5 DCBDMO C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000186839105 396358733 /nfs/dbraw/zinc/35/87/33/396358733.db2.gz RRACGAWGYUXJEX-SNVBAGLBSA-N 1 1 308.338 0.316 20 5 DCBDMO C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000192918212 396439913 /nfs/dbraw/zinc/43/99/13/396439913.db2.gz MWTMIUVIMRPKJP-PHIMTYICSA-N 1 1 311.363 0.777 20 5 DCBDMO C[NH+]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000192955420 396441234 /nfs/dbraw/zinc/44/12/34/396441234.db2.gz DKDUWIGOTXQBPB-UHFFFAOYSA-N 1 1 306.322 0.099 20 5 DCBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1(C(N)=O)CCOCC1 ZINC000595728175 396652877 /nfs/dbraw/zinc/65/28/77/396652877.db2.gz KUHYAQMAKAUISV-UHFFFAOYSA-N 1 1 309.322 0.728 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588863616 396696111 /nfs/dbraw/zinc/69/61/11/396696111.db2.gz RQGCCMIJGKZBQA-NXEZZACHSA-N 1 1 311.363 0.937 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588863616 396696115 /nfs/dbraw/zinc/69/61/15/396696115.db2.gz RQGCCMIJGKZBQA-NXEZZACHSA-N 1 1 311.363 0.937 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCOC3(CCCC3)C2)c1 ZINC000305122073 396738613 /nfs/dbraw/zinc/73/86/13/396738613.db2.gz JXGYJILDSNDRPU-ZDUSSCGKSA-N 1 1 310.354 0.797 20 5 DCBDMO C[C@H](c1cnn(C)c1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305858566 396755391 /nfs/dbraw/zinc/75/53/91/396755391.db2.gz WUFKOHLZLSNBEM-ZWNOBZJWSA-N 1 1 308.342 0.579 20 5 DCBDMO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000313974035 396776878 /nfs/dbraw/zinc/77/68/78/396776878.db2.gz AODBWAOUWOTTHO-SECBINFHSA-N 1 1 317.342 0.964 20 5 DCBDMO C[N@H+]1CC[C@H](CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000313974035 396776882 /nfs/dbraw/zinc/77/68/82/396776882.db2.gz AODBWAOUWOTTHO-SECBINFHSA-N 1 1 317.342 0.964 20 5 DCBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCC[N@@H+]1CC[C@H](O)C1 ZINC000600808752 396947601 /nfs/dbraw/zinc/94/76/01/396947601.db2.gz PEONDSUWZODERG-LBPRGKRZSA-N 1 1 311.313 0.459 20 5 DCBDMO COc1cc(C(=O)NCC[N@H+]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000600809658 396948186 /nfs/dbraw/zinc/94/81/86/396948186.db2.gz WIKICUAECXJZJG-NSHDSACASA-N 1 1 309.322 0.400 20 5 DCBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000597920394 397131009 /nfs/dbraw/zinc/13/10/09/397131009.db2.gz AZIZDAZPJRMCMQ-NSHDSACASA-N 1 1 322.365 0.746 20 5 DCBDMO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000592196469 397122053 /nfs/dbraw/zinc/12/20/53/397122053.db2.gz BSMNNDULHBKWCT-RYUDHWBXSA-N 1 1 324.333 0.959 20 5 DCBDMO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000592196469 397122055 /nfs/dbraw/zinc/12/20/55/397122055.db2.gz BSMNNDULHBKWCT-RYUDHWBXSA-N 1 1 324.333 0.959 20 5 DCBDMO CNC(=O)c1ccc(N2CC[N@H+](C)C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000601980454 397280123 /nfs/dbraw/zinc/28/01/23/397280123.db2.gz XSECAAXYXFJGHM-LLVKDONJSA-N 1 1 308.338 0.067 20 5 DCBDMO CNC(=O)c1ccc(N2CC[N@@H+](C)C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000601980454 397280127 /nfs/dbraw/zinc/28/01/27/397280127.db2.gz XSECAAXYXFJGHM-LLVKDONJSA-N 1 1 308.338 0.067 20 5 DCBDMO O=C1CC[C@@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)N1 ZINC000592997063 397311872 /nfs/dbraw/zinc/31/18/72/397311872.db2.gz QLXKWNZILWAYEP-NSHDSACASA-N 1 1 305.338 0.390 20 5 DCBDMO COCC[N@@H+](C)CCNc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000598593873 397253332 /nfs/dbraw/zinc/25/33/32/397253332.db2.gz XWAKINBGSPNUGR-UHFFFAOYSA-N 1 1 312.326 0.767 20 5 DCBDMO Cc1cc(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc([N+](=O)[O-])c1 ZINC000593856702 397457735 /nfs/dbraw/zinc/45/77/35/397457735.db2.gz ZXEDAOLOZHBZNK-CQSZACIVSA-N 1 1 305.334 0.794 20 5 DCBDMO Cc1cc(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc([N+](=O)[O-])c1 ZINC000593856702 397457739 /nfs/dbraw/zinc/45/77/39/397457739.db2.gz ZXEDAOLOZHBZNK-CQSZACIVSA-N 1 1 305.334 0.794 20 5 DCBDMO CC(C)[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000488023610 397483683 /nfs/dbraw/zinc/48/36/83/397483683.db2.gz IWAMTZHVTMPGRM-ZIAGYGMSSA-N 1 1 311.386 0.424 20 5 DCBDMO CC(C)[C@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000488023610 397483686 /nfs/dbraw/zinc/48/36/86/397483686.db2.gz IWAMTZHVTMPGRM-ZIAGYGMSSA-N 1 1 311.386 0.424 20 5 DCBDMO CC(C)[C@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C ZINC000488023610 397483689 /nfs/dbraw/zinc/48/36/89/397483689.db2.gz IWAMTZHVTMPGRM-ZIAGYGMSSA-N 1 1 311.386 0.424 20 5 DCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNc2cccnc2[N+](=O)[O-])C1 ZINC000608885526 397758308 /nfs/dbraw/zinc/75/83/08/397758308.db2.gz WUPGTYCEASDFLE-NSHDSACASA-N 1 1 307.354 0.989 20 5 DCBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)C[NH+]1CCOCC1 ZINC000609996787 397800056 /nfs/dbraw/zinc/80/00/56/397800056.db2.gz LQGWQMVDYCWEGT-NSHDSACASA-N 1 1 310.354 0.631 20 5 DCBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000161650262 158359243 /nfs/dbraw/zinc/35/92/43/158359243.db2.gz UNQWBMPDDCFMJF-ZDUSSCGKSA-N 1 1 324.385 0.773 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCOC[C@@H](C3CCC3)C2)c1 ZINC000367822136 159357510 /nfs/dbraw/zinc/35/75/10/159357510.db2.gz KFWWXKFFVWAOKA-ZFWWWQNUSA-N 1 1 324.381 0.901 20 5 DCBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCC1=CC[NH2+]CC1 ZINC000193385729 287060495 /nfs/dbraw/zinc/06/04/95/287060495.db2.gz CDMIUADRQBIIJM-UHFFFAOYSA-N 1 1 315.326 0.932 20 5 DCBDMO CCOC[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000246645701 287086298 /nfs/dbraw/zinc/08/62/98/287086298.db2.gz CQKGIDSSWNIYGX-TZMCWYRMSA-N 1 1 312.370 0.901 20 5 DCBDMO C[C@@H](O)C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)CO ZINC000248953084 287103965 /nfs/dbraw/zinc/10/39/65/287103965.db2.gz PVTCGMUWCLUIOM-GHMZBOCLSA-N 1 1 311.338 0.597 20 5 DCBDMO C[C@@H](O)C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)CO ZINC000248953084 287103966 /nfs/dbraw/zinc/10/39/66/287103966.db2.gz PVTCGMUWCLUIOM-GHMZBOCLSA-N 1 1 311.338 0.597 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000268235263 415182550 /nfs/dbraw/zinc/18/25/50/415182550.db2.gz NWOWYESAALVYBY-SKDRFNHKSA-N 1 1 307.354 0.699 20 5 DCBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC000332132029 415260756 /nfs/dbraw/zinc/26/07/56/415260756.db2.gz ZJPORMTXQBBOHX-NSHDSACASA-N 1 1 323.353 0.123 20 5 DCBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352678068 415272622 /nfs/dbraw/zinc/27/26/22/415272622.db2.gz WZYPMDZWNVNHII-BKLCCMMDSA-N 1 1 322.365 0.507 20 5 DCBDMO NC(=O)NC(=O)CCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352709242 415287379 /nfs/dbraw/zinc/28/73/79/415287379.db2.gz ZMOAUMKKLGHHQT-UHFFFAOYSA-N 1 1 322.321 0.764 20 5 DCBDMO NC(=O)NC(=O)CCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352709242 415287385 /nfs/dbraw/zinc/28/73/85/415287385.db2.gz ZMOAUMKKLGHHQT-UHFFFAOYSA-N 1 1 322.321 0.764 20 5 DCBDMO Cc1c(NC(=O)CC[N@H+](C)[C@@H]2COC[C@H]2O)cccc1[N+](=O)[O-] ZINC000352820532 415338555 /nfs/dbraw/zinc/33/85/55/415338555.db2.gz YXZAFDBSSAJBGB-ZIAGYGMSSA-N 1 1 323.349 0.923 20 5 DCBDMO Cn1c(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000342956019 415375522 /nfs/dbraw/zinc/37/55/22/415375522.db2.gz NISQXKRYUWQNEA-LBPRGKRZSA-N 1 1 324.381 0.900 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425555090 287317169 /nfs/dbraw/zinc/31/71/69/287317169.db2.gz XHDOPVMCSHOZQB-JTQLQIEISA-N 1 1 304.310 0.364 20 5 DCBDMO C[NH+](C)[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccco1 ZINC000126751100 415879110 /nfs/dbraw/zinc/87/91/10/415879110.db2.gz JRBGIARMXKYLLI-JTQLQIEISA-N 1 1 307.310 0.803 20 5 DCBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000356727044 415977986 /nfs/dbraw/zinc/97/79/86/415977986.db2.gz BXPJPMWQVSZKMX-WDEREUQCSA-N 1 1 307.354 0.885 20 5 DCBDMO CC[C@@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)CC[N@H+]1C[C@H](C)O ZINC000301257111 416079692 /nfs/dbraw/zinc/07/96/92/416079692.db2.gz FWYBITBQPLIYHG-CMPLNLGQSA-N 1 1 311.386 0.918 20 5 DCBDMO CC[C@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)CC[N@H+]1C[C@H](C)O ZINC000301257113 416080282 /nfs/dbraw/zinc/08/02/82/416080282.db2.gz FWYBITBQPLIYHG-JQWIXIFHSA-N 1 1 311.386 0.918 20 5 DCBDMO CN1CC[NH+](CCCNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000298427735 416006729 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C[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000357492135 416089524 /nfs/dbraw/zinc/08/95/24/416089524.db2.gz UPZYJYNRXXKZPD-SNVBAGLBSA-N 1 1 323.353 0.469 20 5 DCBDMO CCc1nn(C)c(N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000301931197 416097327 /nfs/dbraw/zinc/09/73/27/416097327.db2.gz OONVLSWSCCHAKV-MNOVXSKESA-N 1 1 311.386 0.782 20 5 DCBDMO CCc1nn(C)c(N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000301931197 416097330 /nfs/dbraw/zinc/09/73/30/416097330.db2.gz OONVLSWSCCHAKV-MNOVXSKESA-N 1 1 311.386 0.782 20 5 DCBDMO C[N@H+]1CC[C@@](O)(CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000358056899 416180319 /nfs/dbraw/zinc/18/03/19/416180319.db2.gz BSVLSJANHBQQNB-CQSZACIVSA-N 1 1 309.322 0.156 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000358056894 416181929 /nfs/dbraw/zinc/18/19/29/416181929.db2.gz BSVLSJANHBQQNB-AWEZNQCLSA-N 1 1 309.322 0.156 20 5 DCBDMO Cc1cc(C(=O)NC[C@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000330666791 416226349 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DCBDMO C[N@@H+]1CC[C@@H]2CN(CCn3cc([N+](=O)[O-])ccc3=O)C[C@@H]2C1 ZINC000931437079 669203906 /nfs/dbraw/zinc/20/39/06/669203906.db2.gz CZGHWELFQRAAOM-OLZOCXBDSA-N 1 1 306.366 0.640 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(CCn3cc([N+](=O)[O-])ccc3=O)C[C@@H]2C1 ZINC000931437079 669203907 /nfs/dbraw/zinc/20/39/07/669203907.db2.gz CZGHWELFQRAAOM-OLZOCXBDSA-N 1 1 306.366 0.640 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000932551719 669382788 /nfs/dbraw/zinc/38/27/88/669382788.db2.gz LIWKFBFYQMQMOZ-GFCCVEGCSA-N 1 1 307.354 0.795 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000934394522 669600649 /nfs/dbraw/zinc/60/06/49/669600649.db2.gz HCDHCEMERSPTDB-MWLCHTKSSA-N 1 1 307.354 0.841 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000935313923 669706619 /nfs/dbraw/zinc/70/66/19/669706619.db2.gz AVRVZUCBCVSDMO-SNVBAGLBSA-N 1 1 307.354 0.866 20 5 DCBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801950632 670146930 /nfs/dbraw/zinc/14/69/30/670146930.db2.gz YAGWFASKTIZANE-CYBMUJFWSA-N 1 1 312.301 0.113 20 5 DCBDMO CC(C)[N@H+]1CCO[C@@H](COC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000802137613 670152220 /nfs/dbraw/zinc/15/22/20/670152220.db2.gz SXLPLPFNSBJDIC-LLVKDONJSA-N 1 1 312.326 0.444 20 5 DCBDMO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000847044886 670513719 /nfs/dbraw/zinc/51/37/19/670513719.db2.gz PAPQLOKKDUQYSB-ZNMIVQPWSA-N 1 1 307.350 0.379 20 5 DCBDMO Cn1cc(COC(=O)C[N@H+](C)[C@@H]2CCSC2)c([N+](=O)[O-])n1 ZINC000847784240 670598965 /nfs/dbraw/zinc/59/89/65/670598965.db2.gz OVQVYGIMHOSJJV-SNVBAGLBSA-N 1 1 314.367 0.809 20 5 DCBDMO Cn1cc(COC(=O)C[N@@H+](C)[C@@H]2CCSC2)c([N+](=O)[O-])n1 ZINC000847784240 670598969 /nfs/dbraw/zinc/59/89/69/670598969.db2.gz OVQVYGIMHOSJJV-SNVBAGLBSA-N 1 1 314.367 0.809 20 5 DCBDMO C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000813740778 670648971 /nfs/dbraw/zinc/64/89/71/670648971.db2.gz HDNPWTDZIKYSKE-WPRPVWTQSA-N 1 1 317.392 0.981 20 5 DCBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000813740778 670648975 /nfs/dbraw/zinc/64/89/75/670648975.db2.gz HDNPWTDZIKYSKE-WPRPVWTQSA-N 1 1 317.392 0.981 20 5 DCBDMO CN1CC[N@H+](C)C[C@H]1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819048739 671089308 /nfs/dbraw/zinc/08/93/08/671089308.db2.gz ASZYIANIKOJNMZ-CABCVRRESA-N 1 1 308.382 0.464 20 5 DCBDMO CN1CC[N@@H+](C)C[C@H]1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819048739 671089314 /nfs/dbraw/zinc/08/93/14/671089314.db2.gz ASZYIANIKOJNMZ-CABCVRRESA-N 1 1 308.382 0.464 20 5 DCBDMO COCC[N@H+]1CCC[C@H]1COC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000861034190 671261687 /nfs/dbraw/zinc/26/16/87/671261687.db2.gz KFJRGJQKRFTOFT-NSHDSACASA-N 1 1 312.326 0.445 20 5 DCBDMO Cc1ccc(CNC(=O)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000825648715 671468812 /nfs/dbraw/zinc/46/88/12/671468812.db2.gz ZGOYRPDLNARJEY-UHFFFAOYSA-N 1 1 306.366 0.767 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC[C@H]21 ZINC000827328263 671522758 /nfs/dbraw/zinc/52/27/58/671522758.db2.gz DKJFOPMLRVCLGG-DGCLKSJQSA-N 1 1 320.349 0.309 20 5 DCBDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830865337 671644337 /nfs/dbraw/zinc/64/43/37/671644337.db2.gz MDPBAUDZYHZLGN-XBFCOCLRSA-N 1 1 324.333 0.484 20 5 DCBDMO C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000833336564 671746979 /nfs/dbraw/zinc/74/69/79/671746979.db2.gz FOOUOSQLBLFPCR-YUTCNCBUSA-N 1 1 305.334 0.791 20 5 DCBDMO CC(C)(CCC(=O)NC[C@@H]1CCCC[N@H+]1CCO)[N+](=O)[O-] ZINC000833551419 671747913 /nfs/dbraw/zinc/74/79/13/671747913.db2.gz BNNZRBIAOGKJOA-LBPRGKRZSA-N 1 1 301.387 0.785 20 5 DCBDMO Nc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000833566163 671748180 /nfs/dbraw/zinc/74/81/80/671748180.db2.gz RUXZFEUPMXOHQX-LBPRGKRZSA-N 1 1 322.365 0.754 20 5 DCBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000834593375 671772970 /nfs/dbraw/zinc/77/29/70/671772970.db2.gz PZPFOGYXZAYYAQ-VXGBXAGGSA-N 1 1 323.328 0.830 20 5 DCBDMO O=[N+]([O-])c1cc(CO)c(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1F ZINC000865917690 685380735 /nfs/dbraw/zinc/38/07/35/685380735.db2.gz NGXNTWWOWVUMAQ-WDEREUQCSA-N 1 1 311.313 0.481 20 5 DCBDMO Cn1ncc([N+](=O)[O-])c1N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000895027809 685438613 /nfs/dbraw/zinc/43/86/13/685438613.db2.gz KLWWLUFGZFQZFL-UHFFFAOYSA-N 1 1 308.386 0.545 20 5 DCBDMO COc1ccnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001020138890 693710014 /nfs/dbraw/zinc/71/00/14/693710014.db2.gz GOTQJZBFGYJOKI-DMTCVQMQSA-N 1 1 320.349 0.492 20 5 DCBDMO Cn1cnc(C(=O)NCC[N@H+](C)Cc2cccc([N+](=O)[O-])c2)n1 ZINC001267195289 1157707282 /nfs/dbraw/zinc/70/72/82/1157707282.db2.gz UPJRBMWBEFLYDL-UHFFFAOYSA-N 1 1 318.337 0.585 20 5 DCBDMO Cn1cnc(C(=O)NCC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)n1 ZINC001267195289 1157707286 /nfs/dbraw/zinc/70/72/86/1157707286.db2.gz UPJRBMWBEFLYDL-UHFFFAOYSA-N 1 1 318.337 0.585 20 5 DCBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001566330762 1159971852 /nfs/dbraw/zinc/97/18/52/1159971852.db2.gz OFUWHKYETCKTRH-KWQFWETISA-N 1 1 305.338 0.785 20 5 DCBDMO CC(C)NC(=O)CN(C)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001575706161 1164114430 /nfs/dbraw/zinc/11/44/30/1164114430.db2.gz BKTDUGDXKWDNTP-HNNXBMFYSA-N 1 1 322.365 0.752 20 5 DCBDMO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCN1c1cnccn1 ZINC001620684475 1165827010 /nfs/dbraw/zinc/82/70/10/1165827010.db2.gz KWEHWOAYDPDWGH-LBPRGKRZSA-N 1 1 317.353 0.792 20 5 DCBDMO C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCN1c1cnccn1 ZINC001620684475 1165827015 /nfs/dbraw/zinc/82/70/15/1165827015.db2.gz KWEHWOAYDPDWGH-LBPRGKRZSA-N 1 1 317.353 0.792 20 5 DCBDMO CC(C)[N@@H+](CCO)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001589692615 1166674871 /nfs/dbraw/zinc/67/48/71/1166674871.db2.gz UQEQHFZINYQFPC-UHFFFAOYSA-N 1 1 306.326 0.978 20 5 DCBDMO C[N@H+]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1(C)C ZINC001591192311 1167142378 /nfs/dbraw/zinc/14/23/78/1167142378.db2.gz HAVCUECANGQIKZ-UHFFFAOYSA-N 1 1 318.341 0.700 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001593721840 1167960990 /nfs/dbraw/zinc/96/09/90/1167960990.db2.gz UECWTZNKIFPFLO-CMPLNLGQSA-N 1 1 308.338 0.214 20 5 DCBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2(CO)COCC[NH2+]2)c1C ZINC001635746016 1171712744 /nfs/dbraw/zinc/71/27/44/1171712744.db2.gz LWYUSPMXURDOOB-HNNXBMFYSA-N 1 1 323.349 0.292 20 5 DCBDMO COCC(COC)[NH+]1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC001640025114 1171864016 /nfs/dbraw/zinc/86/40/16/1171864016.db2.gz JFSXCSFLCVRIND-UHFFFAOYSA-N 1 1 311.342 0.168 20 5 DCBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001644700456 1172017110 /nfs/dbraw/zinc/01/71/10/1172017110.db2.gz UCZQPNIKAFHAER-LSDHHAIUSA-N 1 1 319.361 0.805 20 5 DCBDMO CNc1c(C(=O)N2CC([NH2+]C3COC3)C2)cccc1[N+](=O)[O-] ZINC001645774381 1172135146 /nfs/dbraw/zinc/13/51/46/1172135146.db2.gz HIHCTTVWRLKRLP-UHFFFAOYSA-N 1 1 306.322 0.449 20 5 DCBDMO O=c1[nH]ccc(NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)c1[N+](=O)[O-] ZINC001651521777 1173750176 /nfs/dbraw/zinc/75/01/76/1173750176.db2.gz GJVIHGIEEPXAMJ-IINYFYTJSA-N 1 1 324.337 0.333 20 5 DCBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001651886030 1173758064 /nfs/dbraw/zinc/75/80/64/1173758064.db2.gz COEZMOZDRBABHN-WDEREUQCSA-N 1 1 305.338 0.881 20 5 DCBDMO CN1C(=O)NC2(CC[NH+](Cc3cccnc3[N+](=O)[O-])CC2)C1=O ZINC001653144831 1173783033 /nfs/dbraw/zinc/78/30/33/1173783033.db2.gz OEULRDTUPADQAM-UHFFFAOYSA-N 1 1 319.321 0.506 20 5 DCBDMO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nnnn1C ZINC001655012653 1173815533 /nfs/dbraw/zinc/81/55/33/1173815533.db2.gz QSGUUUNQSNYTJZ-VIFPVBQESA-N 1 1 319.325 0.798 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](CO)[C@H](O)C1 ZINC001658942422 1173927610 /nfs/dbraw/zinc/92/76/10/1173927610.db2.gz BXEUJRWIMYTRIR-BXUZGUMPSA-N 1 1 323.349 0.517 20 5 DCBDMO CC1(C)CNC(=O)[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001660003997 1173938254 /nfs/dbraw/zinc/93/82/54/1173938254.db2.gz SDCGIPSROQEROO-GFCCVEGCSA-N 1 1 306.322 0.648 20 5 DCBDMO CN(C(=O)C[N@H+](C)CCn1cnnc1)c1ccc([N+](=O)[O-])cc1 ZINC001660012198 1173938396 /nfs/dbraw/zinc/93/83/96/1173938396.db2.gz KCUKLMNNAOZVLV-UHFFFAOYSA-N 1 1 318.337 0.781 20 5 DCBDMO CN(C(=O)C[N@@H+](C)CCn1cnnc1)c1ccc([N+](=O)[O-])cc1 ZINC001660012198 1173938399 /nfs/dbraw/zinc/93/83/99/1173938399.db2.gz KCUKLMNNAOZVLV-UHFFFAOYSA-N 1 1 318.337 0.781 20 5 DCBDMO CCN(CC[NH2+]Cc1c(C)noc1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001668426085 1174795070 /nfs/dbraw/zinc/79/50/70/1174795070.db2.gz BIWKVLZFEINCQR-DGCLKSJQSA-N 1 1 310.354 0.895 20 5 DCBDMO CCN(CC[NH2+]Cc1cnccc1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001715731886 1181965140 /nfs/dbraw/zinc/96/51/40/1181965140.db2.gz OCOLLSOITOBXDV-ZIAGYGMSSA-N 1 1 306.366 0.993 20 5 DCBDMO CC(C)n1ncnc1C[NH2+]CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001716541058 1182433318 /nfs/dbraw/zinc/43/33/18/1182433318.db2.gz PUEAOBCHKLBOCE-VXGBXAGGSA-N 1 1 324.385 0.462 20 5 DCBDMO Cn1cc(C[NH2+]C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)cn1 ZINC001724786988 1184556752 /nfs/dbraw/zinc/55/67/52/1184556752.db2.gz TYDRAXNCMRNXEK-VXGBXAGGSA-N 1 1 307.354 0.214 20 5 DCBDMO C[N@H+]1CCO[C@@H]2CN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)C[C@H]21 ZINC001164669318 719415332 /nfs/dbraw/zinc/41/53/32/719415332.db2.gz LNIWAZZREQYZOS-VXGBXAGGSA-N 1 1 303.322 0.990 20 5 DCBDMO Nc1nc(N2CC[NH+](C[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC001165039699 721912735 /nfs/dbraw/zinc/91/27/35/721912735.db2.gz VKDCFVFFMIBKER-LLVKDONJSA-N 1 1 307.354 0.873 20 5 DCBDMO Nc1cc([N+](=O)[O-])cnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165037608 721916761 /nfs/dbraw/zinc/91/67/61/721916761.db2.gz HJPVXAQRAZIPGH-LBPRGKRZSA-N 1 1 307.354 0.873 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1cncs1 ZINC001124239031 751562416 /nfs/dbraw/zinc/56/24/16/751562416.db2.gz VRRYWIAUCNWXQX-UHFFFAOYSA-N 1 1 310.339 0.304 20 5 DCBDMO CN1Cc2cc(-n3cnc(C[NH3+])cc3=N)cc([N+](=O)[O-])c2N1 ZINC001167362480 747134798 /nfs/dbraw/zinc/13/47/98/747134798.db2.gz XEJLRDSYDUFXSV-UHFFFAOYSA-N 1 1 301.310 0.491 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)COC(C)(C)C ZINC001125956265 748148816 /nfs/dbraw/zinc/14/88/16/748148816.db2.gz HXXVWGYSTDEHTL-UHFFFAOYSA-N 1 1 313.358 0.349 20 5 DCBDMO Cc1[nH+]c(N)ccc1CNc1ccc([N+](=O)[O-])c(C(N)=O)n1 ZINC001167782752 748232999 /nfs/dbraw/zinc/23/29/99/748232999.db2.gz ZTEWIRAQVPIYLM-UHFFFAOYSA-N 1 1 302.294 0.986 20 5 DCBDMO C[C@H]1C[N@H+](CCCOC(=O)c2nn(C)cc2[N+](=O)[O-])CCO1 ZINC001123023375 767916414 /nfs/dbraw/zinc/91/64/14/767916414.db2.gz NSSZQZSJAIFGMG-JTQLQIEISA-N 1 1 312.326 0.596 20 5 DCBDMO C[C@H]1C[N@@H+](CCCOC(=O)c2nn(C)cc2[N+](=O)[O-])CCO1 ZINC001123023375 767916418 /nfs/dbraw/zinc/91/64/18/767916418.db2.gz NSSZQZSJAIFGMG-JTQLQIEISA-N 1 1 312.326 0.596 20 5 DCBDMO COC(=O)[C@@H]1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCN1C(C)=O ZINC001169054881 760564536 /nfs/dbraw/zinc/56/45/36/760564536.db2.gz NZKHDKGUSSDEMH-AGIUHOORSA-N 1 1 313.354 0.138 20 5 DCBDMO Cc1ccc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)n1C ZINC001123491428 767986862 /nfs/dbraw/zinc/98/68/62/767986862.db2.gz DSASUOSTOJYJMQ-UHFFFAOYSA-N 1 1 320.353 0.495 20 5 DCBDMO CCc1ncoc1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001133589717 765029716 /nfs/dbraw/zinc/02/97/16/765029716.db2.gz WSFUMPVQFFXNOQ-UHFFFAOYSA-N 1 1 322.325 0.398 20 5 DCBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC001170776250 765698288 /nfs/dbraw/zinc/69/82/88/765698288.db2.gz MJZBZWSUOWEAAQ-NSHDSACASA-N 1 1 322.365 0.752 20 5 DCBDMO O=C(CC[NH+]1CCOCC1)NCCNc1ncccc1[N+](=O)[O-] ZINC001093732145 768707429 /nfs/dbraw/zinc/70/74/29/768707429.db2.gz BRKQVHFISPDDBC-UHFFFAOYSA-N 1 1 323.353 0.240 20 5 DCBDMO Cc1cc(O)c([N+](=O)[O-])c(OC(=O)C[C@@H](O)C[N+](C)(C)C)n1 ZINC001231259548 769211692 /nfs/dbraw/zinc/21/16/92/769211692.db2.gz NZLKNGNJBMUXBX-SECBINFHSA-O 1 1 314.318 0.366 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])cn1)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001153780301 769931410 /nfs/dbraw/zinc/93/14/10/769931410.db2.gz GJTBUVWAMMIRSH-NWDGAFQWSA-N 1 1 306.322 0.271 20 5 DCBDMO CCc1onc(C)c1C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157774850 771670346 /nfs/dbraw/zinc/67/03/46/771670346.db2.gz DCBSZMPQISIROQ-ZYHUDNBSSA-N 1 1 310.354 0.807 20 5 DCBDMO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cnn[nH]1 ZINC001161691231 772267057 /nfs/dbraw/zinc/26/70/57/772267057.db2.gz OKPJXGHZIMUVDR-UHFFFAOYSA-N 1 1 304.310 0.623 20 5 DCBDMO CN1CC[NH+](CCCNc2cc([N+](=O)[O-])c3nncn3c2)CC1 ZINC001161710007 772270826 /nfs/dbraw/zinc/27/08/26/772270826.db2.gz NCCVGXFIVATSKH-UHFFFAOYSA-N 1 1 319.369 0.687 20 5 DCBDMO COC(=O)[C@@H](CO)Nc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2 ZINC001163803423 772574534 /nfs/dbraw/zinc/57/45/34/772574534.db2.gz DTEKNZLBJGCMAY-GFCCVEGCSA-N 1 1 309.322 0.529 20 5 DCBDMO COC(=O)[C@@H](CO)Nc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2 ZINC001163803423 772574536 /nfs/dbraw/zinc/57/45/36/772574536.db2.gz DTEKNZLBJGCMAY-GFCCVEGCSA-N 1 1 309.322 0.529 20 5 DCBDMO CCOCCC[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001205229951 772984481 /nfs/dbraw/zinc/98/44/81/772984481.db2.gz KCFHIFAAUNJMLV-ZIAGYGMSSA-N 1 1 313.398 0.906 20 5 DCBDMO CNC(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001193198970 773023424 /nfs/dbraw/zinc/02/34/24/773023424.db2.gz ZTSBWWIUBVXLJD-DGCLKSJQSA-N 1 1 308.338 0.632 20 5 DCBDMO COC(=O)[C@@H]([NH2+]CCCNc1nn(C)cc1[N+](=O)[O-])C(C)C ZINC001163384087 944157136 /nfs/dbraw/zinc/15/71/36/944157136.db2.gz VCSKNHWKIDNVNT-NSHDSACASA-N 1 1 313.358 0.918 20 5 DCBDMO COC(=O)N1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC001262013072 947532187 /nfs/dbraw/zinc/53/21/87/947532187.db2.gz QRKIMNOXKUFFHK-UHFFFAOYSA-N 1 1 311.342 0.874 20 5 DCBDMO COC(=O)N1CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC001262013072 947532196 /nfs/dbraw/zinc/53/21/96/947532196.db2.gz QRKIMNOXKUFFHK-UHFFFAOYSA-N 1 1 311.342 0.874 20 5 DCBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001330308634 950262399 /nfs/dbraw/zinc/26/23/99/950262399.db2.gz ZXGCPNDCISFTBV-NEPJUHHUSA-N 1 1 320.349 0.452 20 5 DCBDMO CN(CCC[NH2+]CCc1ccnn1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001276001988 952606770 /nfs/dbraw/zinc/60/67/70/952606770.db2.gz NGIBXJUIDXOXTJ-CHWSQXEVSA-N 1 1 309.370 0.066 20 5 DCBDMO C[C@H](c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1C)[N+](=O)[O-] ZINC001338056438 952955686 /nfs/dbraw/zinc/95/56/86/952955686.db2.gz ISBJCLXSDKBLTE-NEPJUHHUSA-N 1 1 324.385 0.311 20 5 DCBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)C1 ZINC001340068486 953142406 /nfs/dbraw/zinc/14/24/06/953142406.db2.gz WIZSPLSAUGHHAY-SECBINFHSA-N 1 1 324.312 0.801 20 5 DCBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNc1c([N+](=O)[O-])cnn1C ZINC001342863169 953311233 /nfs/dbraw/zinc/31/12/33/953311233.db2.gz GRGUWVKIBROVDH-LLVKDONJSA-N 1 1 324.385 0.683 20 5 DCBDMO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nnnn1C ZINC001346122674 953804150 /nfs/dbraw/zinc/80/41/50/953804150.db2.gz LVBPHOGDBAGXLY-VIFPVBQESA-N 1 1 319.325 0.798 20 5 DCBDMO C[NH+]1CCN(C(=O)CNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001348076662 954196424 /nfs/dbraw/zinc/19/64/24/954196424.db2.gz WRLCZUCAUOTHEV-UHFFFAOYSA-N 1 1 320.349 0.028 20 5 DCBDMO COc1ccc(NC(=O)NCC[N@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001349921676 954931180 /nfs/dbraw/zinc/93/11/80/954931180.db2.gz PRHLWFJIUUFMCY-SNVBAGLBSA-N 1 1 324.337 0.792 20 5 DCBDMO CN1CC[C@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001353273054 955999398 /nfs/dbraw/zinc/99/93/98/955999398.db2.gz MPLIOIQKZYNXFO-TZMCWYRMSA-N 1 1 309.366 0.876 20 5 DCBDMO CNC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001307861591 960162182 /nfs/dbraw/zinc/16/21/82/960162182.db2.gz YLXZRYQVDJOVHB-JTQLQIEISA-N 1 1 306.322 0.601 20 5 DCBDMO CNC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001307861591 960162190 /nfs/dbraw/zinc/16/21/90/960162190.db2.gz YLXZRYQVDJOVHB-JTQLQIEISA-N 1 1 306.322 0.601 20 5 DCBDMO Cc1cnc(C[N@@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001316823100 960393664 /nfs/dbraw/zinc/39/36/64/960393664.db2.gz BZGKIUYWWXNANW-CHWSQXEVSA-N 1 1 307.354 0.388 20 5 DCBDMO Nc1ncc(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC001464582161 1015924779 /nfs/dbraw/zinc/92/47/79/1015924779.db2.gz QGUHNMWLENNYGM-LLVKDONJSA-N 1 1 305.338 0.882 20 5 DCBDMO CC(C)OCC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001508202892 1016705289 /nfs/dbraw/zinc/70/52/89/1016705289.db2.gz PGWJKGCJMNJNLH-ZIAGYGMSSA-N 1 1 311.382 0.825 20 5 DCBDMO CC(C)OCC[N@H+]1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001508202892 1016705303 /nfs/dbraw/zinc/70/53/03/1016705303.db2.gz PGWJKGCJMNJNLH-ZIAGYGMSSA-N 1 1 311.382 0.825 20 5 DCBDMO CC(C)OCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001508202892 1016705317 /nfs/dbraw/zinc/70/53/17/1016705317.db2.gz PGWJKGCJMNJNLH-ZIAGYGMSSA-N 1 1 311.382 0.825 20 5 DCBDMO C[C@@H]1C[C@H](NC(=O)c2cnc(N)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC001545709851 1005557491 /nfs/dbraw/zinc/55/74/91/1005557491.db2.gz MNKCMHGGRSJIEQ-SCZZXKLOSA-N 1 1 305.338 0.927 20 5 DCBDMO COc1c(O)ccc(C[NH2+][C@H](C)C(=O)N(C)OC)c1[N+](=O)[O-] ZINC001474655593 1017029912 /nfs/dbraw/zinc/02/99/12/1017029912.db2.gz ZYRPWYFSDOTEGH-MRVPVSSYSA-N 1 1 313.310 0.807 20 5 DCBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3ccnc(N)c3[N+](=O)[O-])CC[C@@H]21 ZINC001557976358 1012311897 /nfs/dbraw/zinc/31/18/97/1012311897.db2.gz IGKBXEHLHOMOJS-ONGXEEELSA-N 1 1 305.338 0.738 20 5 DCBDMO C[C@H]1[C@@H](NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC[N@H+]1C ZINC001558424811 1012353941 /nfs/dbraw/zinc/35/39/41/1012353941.db2.gz BKZBFOLSGYKCGX-JQWIXIFHSA-N 1 1 321.333 0.995 20 5 DCBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC001562587894 1012493079 /nfs/dbraw/zinc/49/30/79/1012493079.db2.gz VCHWPWXKOIRMHQ-NSHDSACASA-N 1 1 323.353 0.250 20 5 DCBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC001562587894 1012493091 /nfs/dbraw/zinc/49/30/91/1012493091.db2.gz VCHWPWXKOIRMHQ-NSHDSACASA-N 1 1 323.353 0.250 20 5 DCBDMO C[NH+]1CC(N2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)C1 ZINC001522086409 1017446463 /nfs/dbraw/zinc/44/64/63/1017446463.db2.gz FIQOBLAGKANAKA-UHFFFAOYSA-N 1 1 310.379 0.728 20 5 DCBDMO CNC(=O)[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090548735 185302373 /nfs/dbraw/zinc/30/23/73/185302373.db2.gz GJBLDCNMWKEOCZ-LLVKDONJSA-N 1 1 308.338 0.215 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](C3CCOCC3)C2)c1 ZINC000331746436 234075828 /nfs/dbraw/zinc/07/58/28/234075828.db2.gz ZHGZJIJXNYAQNL-DZGCQCFKSA-N 1 1 324.381 0.901 20 5 DCBDMO Cc1nn(C)c(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000174675656 198368298 /nfs/dbraw/zinc/36/82/98/198368298.db2.gz LCHDZWNTHDWVQJ-WDEREUQCSA-N 1 1 307.354 0.945 20 5 DCBDMO Cc1c(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000077817767 191781456 /nfs/dbraw/zinc/78/14/56/191781456.db2.gz PQHNHJDJMZSUDU-NSHDSACASA-N 1 1 320.349 0.910 20 5 DCBDMO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000372748794 283338452 /nfs/dbraw/zinc/33/84/52/283338452.db2.gz LFQSLHDWIVFYME-OSMZGAPFSA-N 1 1 320.349 0.342 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCc3ccc(O)cc3C2)c1 ZINC000348541287 254243455 /nfs/dbraw/zinc/24/34/55/254243455.db2.gz UFJUCRRXDXOBBE-HNNXBMFYSA-N 1 1 318.333 0.916 20 5 DCBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)C[NH+]1CCOCC1 ZINC000349420049 254282381 /nfs/dbraw/zinc/28/23/81/254282381.db2.gz QCWUBPWGCABCID-NSHDSACASA-N 1 1 310.354 0.631 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CCO)C[C@@H](C)O ZINC000351951154 254383598 /nfs/dbraw/zinc/38/35/98/254383598.db2.gz YSTSPRWSSWASGM-LLVKDONJSA-N 1 1 311.338 0.517 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](CCO)C[C@@H](C)O ZINC000351951154 254383599 /nfs/dbraw/zinc/38/35/99/254383599.db2.gz YSTSPRWSSWASGM-LLVKDONJSA-N 1 1 311.338 0.517 20 5 DCBDMO COC(=O)CNC(=O)[C@@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285246603 131151410 /nfs/dbraw/zinc/15/14/10/131151410.db2.gz GYHWEGIEPPOVJU-LLVKDONJSA-N 1 1 323.349 0.747 20 5 DCBDMO COC(=O)CNC(=O)[C@@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285246603 131151411 /nfs/dbraw/zinc/15/14/11/131151411.db2.gz GYHWEGIEPPOVJU-LLVKDONJSA-N 1 1 323.349 0.747 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1COCC[NH2+]1 ZINC000235775909 395892833 /nfs/dbraw/zinc/89/28/33/395892833.db2.gz YFSFLQPBVRXNBQ-JTQLQIEISA-N 1 1 315.351 0.170 20 5 DCBDMO C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[N@@H+](C)C1CC1 ZINC000057703654 395947296 /nfs/dbraw/zinc/94/72/96/395947296.db2.gz HXIUHABLESCWNB-SNVBAGLBSA-N 1 1 308.338 0.355 20 5 DCBDMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246455690 395950447 /nfs/dbraw/zinc/95/04/47/395950447.db2.gz MZZGNDKGPULQQS-IPYPFGDCSA-N 1 1 323.397 0.711 20 5 DCBDMO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246455690 395950449 /nfs/dbraw/zinc/95/04/49/395950449.db2.gz MZZGNDKGPULQQS-IPYPFGDCSA-N 1 1 323.397 0.711 20 5 DCBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246455690 395950452 /nfs/dbraw/zinc/95/04/52/395950452.db2.gz MZZGNDKGPULQQS-IPYPFGDCSA-N 1 1 323.397 0.711 20 5 DCBDMO CC(C)OC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246461030 395951071 /nfs/dbraw/zinc/95/10/71/395951071.db2.gz MCFPOJVEKZKSLS-ZYHUDNBSSA-N 1 1 314.342 0.424 20 5 DCBDMO CC(C)OC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246461030 395951074 /nfs/dbraw/zinc/95/10/74/395951074.db2.gz MCFPOJVEKZKSLS-ZYHUDNBSSA-N 1 1 314.342 0.424 20 5 DCBDMO CC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000150801953 395973671 /nfs/dbraw/zinc/97/36/71/395973671.db2.gz YYZKXDQQPCVRBX-UHFFFAOYSA-N 1 1 317.367 0.833 20 5 DCBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000277215197 396055762 /nfs/dbraw/zinc/05/57/62/396055762.db2.gz VZEDWTBXQHABSE-GFCCVEGCSA-N 1 1 322.365 0.579 20 5 DCBDMO C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000156972719 396062484 /nfs/dbraw/zinc/06/24/84/396062484.db2.gz UMRIWKXRVUUPMJ-BXUZGUMPSA-N 1 1 323.349 0.809 20 5 DCBDMO C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000156972719 396062486 /nfs/dbraw/zinc/06/24/86/396062486.db2.gz UMRIWKXRVUUPMJ-BXUZGUMPSA-N 1 1 323.349 0.809 20 5 DCBDMO CC[N@@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000068960676 396067266 /nfs/dbraw/zinc/06/72/66/396067266.db2.gz AXHMTHAHDYAQBO-UHFFFAOYSA-N 1 1 317.367 0.833 20 5 DCBDMO CC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000068960621 396067362 /nfs/dbraw/zinc/06/73/62/396067362.db2.gz KYBLSRVBJIBZNE-UHFFFAOYSA-N 1 1 317.367 0.833 20 5 DCBDMO CC(C)(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)CCS(C)(=O)=O ZINC000152243399 396003885 /nfs/dbraw/zinc/00/38/85/396003885.db2.gz IYKMJWDMSVQCEL-UHFFFAOYSA-N 1 1 318.399 0.936 20 5 DCBDMO CC(C)(C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)CCS(C)(=O)=O ZINC000152243399 396003887 /nfs/dbraw/zinc/00/38/87/396003887.db2.gz IYKMJWDMSVQCEL-UHFFFAOYSA-N 1 1 318.399 0.936 20 5 DCBDMO CC[N@@H+](C)CCNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000066373520 396006264 /nfs/dbraw/zinc/00/62/64/396006264.db2.gz UJGSDMGGZXPRTC-UHFFFAOYSA-N 1 1 316.383 0.867 20 5 DCBDMO CNC(=O)CC[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000170782823 396097976 /nfs/dbraw/zinc/09/79/76/396097976.db2.gz JKGHMEKKBXLHGL-GFCCVEGCSA-N 1 1 311.338 0.402 20 5 DCBDMO COCC[N@@H+](CCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000264276275 396266100 /nfs/dbraw/zinc/26/61/00/396266100.db2.gz NRZGKBKMJLZEJH-ZDUSSCGKSA-N 1 1 314.338 0.275 20 5 DCBDMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000186917193 396360443 /nfs/dbraw/zinc/36/04/43/396360443.db2.gz LZGQIQSKGZNEIF-VIFPVBQESA-N 1 1 311.342 0.235 20 5 DCBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000186917193 396360447 /nfs/dbraw/zinc/36/04/47/396360447.db2.gz LZGQIQSKGZNEIF-VIFPVBQESA-N 1 1 311.342 0.235 20 5 DCBDMO CCOC(=O)c1nn(C)cc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000186382237 396348568 /nfs/dbraw/zinc/34/85/68/396348568.db2.gz JCCXCGPTLNOMDK-UHFFFAOYSA-N 1 1 322.325 0.491 20 5 DCBDMO COc1c(F)cc(S(=O)(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000193229138 396446436 /nfs/dbraw/zinc/44/64/36/396446436.db2.gz ZBTINPCEWOMDSW-UHFFFAOYSA-N 1 1 319.314 0.336 20 5 DCBDMO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000594965419 396541551 /nfs/dbraw/zinc/54/15/51/396541551.db2.gz HVJRBZSTANTHMF-AAEUAGOBSA-N 1 1 314.363 0.805 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN(Cc2cscn2)CC1 ZINC000373982415 396628546 /nfs/dbraw/zinc/62/85/46/396628546.db2.gz XSGCLIJLJZRMNU-VXGBXAGGSA-N 1 1 310.379 0.843 20 5 DCBDMO CNC(=O)c1ccc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000301637030 396717087 /nfs/dbraw/zinc/71/70/87/396717087.db2.gz FMFXIHFFJDCXIH-KBPBESRZSA-N 1 1 320.349 0.474 20 5 DCBDMO Cn1cc[nH+]c1N1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596134043 396722770 /nfs/dbraw/zinc/72/27/70/396722770.db2.gz JNKPVSBNPGFYIT-UHFFFAOYSA-N 1 1 304.310 0.756 20 5 DCBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000611200262 396833622 /nfs/dbraw/zinc/83/36/22/396833622.db2.gz ZLOZPKCLKJBCST-LLVKDONJSA-N 1 1 323.353 0.645 20 5 DCBDMO CC(C)(CO)[NH+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000611529028 396881484 /nfs/dbraw/zinc/88/14/84/396881484.db2.gz DEOTUFDFMRAAFX-UHFFFAOYSA-N 1 1 322.365 0.706 20 5 DCBDMO O=C(CCNc1ccccc1[N+](=O)[O-])NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600530488 396885173 /nfs/dbraw/zinc/88/51/73/396885173.db2.gz HDMPUWQWHDJPBD-GFCCVEGCSA-N 1 1 322.365 0.580 20 5 DCBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000600535149 396885200 /nfs/dbraw/zinc/88/52/00/396885200.db2.gz WJIWFFVAADYYQL-SECBINFHSA-N 1 1 323.305 0.120 20 5 DCBDMO CNc1c(C(=O)NCC[N@H+]2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000600536478 396887121 /nfs/dbraw/zinc/88/71/21/396887121.db2.gz VUOSAURNMJUQAT-SNVBAGLBSA-N 1 1 308.338 0.433 20 5 DCBDMO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000592206051 397127118 /nfs/dbraw/zinc/12/71/18/397127118.db2.gz LMPWTVNEGSLPST-WCQYABFASA-N 1 1 324.333 0.959 20 5 DCBDMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000592206051 397127119 /nfs/dbraw/zinc/12/71/19/397127119.db2.gz LMPWTVNEGSLPST-WCQYABFASA-N 1 1 324.333 0.959 20 5 DCBDMO COC(=O)c1ccnc(NC[C@]2(O)CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000598614634 397259002 /nfs/dbraw/zinc/25/90/02/397259002.db2.gz MJBKWXHSJCOXAL-CYBMUJFWSA-N 1 1 310.310 0.255 20 5 DCBDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000365926440 397334782 /nfs/dbraw/zinc/33/47/82/397334782.db2.gz CVMADZUQCLJZGF-GFCCVEGCSA-N 1 1 323.353 0.285 20 5 DCBDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000365926440 397334789 /nfs/dbraw/zinc/33/47/89/397334789.db2.gz CVMADZUQCLJZGF-GFCCVEGCSA-N 1 1 323.353 0.285 20 5 DCBDMO Cc1ccnc(N2CC(CN3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000599107475 397339407 /nfs/dbraw/zinc/33/94/07/397339407.db2.gz LIUYVYXVSCBEMQ-UHFFFAOYSA-N 1 1 305.382 0.982 20 5 DCBDMO O=C(C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000367774901 397410397 /nfs/dbraw/zinc/41/03/97/397410397.db2.gz ASHCCMWQKSMMCV-WDNDVIMCSA-N 1 1 317.345 0.654 20 5 DCBDMO O=C(C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000367774901 397410399 /nfs/dbraw/zinc/41/03/99/397410399.db2.gz ASHCCMWQKSMMCV-WDNDVIMCSA-N 1 1 317.345 0.654 20 5 DCBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593856131 397457557 /nfs/dbraw/zinc/45/75/57/397457557.db2.gz VQKKTLHGBWZDLR-OAHLLOKOSA-N 1 1 319.361 0.805 20 5 DCBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593856131 397457561 /nfs/dbraw/zinc/45/75/61/397457561.db2.gz VQKKTLHGBWZDLR-OAHLLOKOSA-N 1 1 319.361 0.805 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000602784779 397485232 /nfs/dbraw/zinc/48/52/32/397485232.db2.gz HSAPPJJMPUOSJW-ZJUUUORDSA-N 1 1 318.399 0.853 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000602784779 397485237 /nfs/dbraw/zinc/48/52/37/397485237.db2.gz HSAPPJJMPUOSJW-ZJUUUORDSA-N 1 1 318.399 0.853 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000602828577 397496131 /nfs/dbraw/zinc/49/61/31/397496131.db2.gz HIBBBYLZSDDKJJ-OCCSQVGLSA-N 1 1 323.397 0.895 20 5 DCBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000609383575 397773521 /nfs/dbraw/zinc/77/35/21/397773521.db2.gz VKTOACGGZIBQGV-GFCCVEGCSA-N 1 1 307.354 0.782 20 5 DCBDMO C[N@H+]1CCCN(CCCNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000609619863 397786923 /nfs/dbraw/zinc/78/69/23/397786923.db2.gz PJNGKNGRDDQPPV-UHFFFAOYSA-N 1 1 310.354 0.945 20 5 DCBDMO CN1CCC[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000609619863 397786925 /nfs/dbraw/zinc/78/69/25/397786925.db2.gz PJNGKNGRDDQPPV-UHFFFAOYSA-N 1 1 310.354 0.945 20 5 DCBDMO CN1CCC[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000609619863 397786928 /nfs/dbraw/zinc/78/69/28/397786928.db2.gz PJNGKNGRDDQPPV-UHFFFAOYSA-N 1 1 310.354 0.945 20 5 DCBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)C1 ZINC000609665105 397788599 /nfs/dbraw/zinc/78/85/99/397788599.db2.gz YCAZPNQFIAKEPL-LBPRGKRZSA-N 1 1 321.381 0.775 20 5 DCBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000318793689 159007457 /nfs/dbraw/zinc/00/74/57/159007457.db2.gz ZQTRCWHHAFDUPE-ZJUUUORDSA-N 1 1 305.338 0.929 20 5 DCBDMO C[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cc(Cl)c2=O)CC1 ZINC000330495719 159181305 /nfs/dbraw/zinc/18/13/05/159181305.db2.gz SQNRBBJCGPTHMG-UHFFFAOYSA-N 1 1 314.729 0.184 20 5 DCBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000330512347 159184593 /nfs/dbraw/zinc/18/45/93/159184593.db2.gz CGJPOMBKGPJZBS-UHFFFAOYSA-N 1 1 310.358 0.027 20 5 DCBDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000330603035 159201129 /nfs/dbraw/zinc/20/11/29/159201129.db2.gz XAKUMVUEOTVAHW-GHMZBOCLSA-N 1 1 308.338 0.308 20 5 DCBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000330603035 159201131 /nfs/dbraw/zinc/20/11/31/159201131.db2.gz XAKUMVUEOTVAHW-GHMZBOCLSA-N 1 1 308.338 0.308 20 5 DCBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000356876019 159254361 /nfs/dbraw/zinc/25/43/61/159254361.db2.gz LOJMMQLLGSOTLQ-GHMZBOCLSA-N 1 1 308.338 0.308 20 5 DCBDMO NC(=O)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000367308140 159330344 /nfs/dbraw/zinc/33/03/44/159330344.db2.gz NIGKXEAYXUPCPF-WCQYABFASA-N 1 1 323.349 0.532 20 5 DCBDMO C[C@H](CO)[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000248953090 287103859 /nfs/dbraw/zinc/10/38/59/287103859.db2.gz PVTCGMUWCLUIOM-MNOVXSKESA-N 1 1 311.338 0.597 20 5 DCBDMO C[C@H](CO)[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000248953090 287103860 /nfs/dbraw/zinc/10/38/60/287103860.db2.gz PVTCGMUWCLUIOM-MNOVXSKESA-N 1 1 311.338 0.597 20 5 DCBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH2+]CC2)c(Cl)c1 ZINC000021052714 415154988 /nfs/dbraw/zinc/15/49/88/415154988.db2.gz WDVVJOURMPBQCI-UHFFFAOYSA-N 1 1 305.743 0.842 20 5 DCBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1COC[C@H]1O ZINC000352816216 415333332 /nfs/dbraw/zinc/33/33/32/415333332.db2.gz NIGFHOYABAIRKR-QWHCGFSZSA-N 1 1 309.322 0.615 20 5 DCBDMO CCOCCOCC[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000276248918 415457517 /nfs/dbraw/zinc/45/75/17/415457517.db2.gz MZWUKNRQLBUXRT-UHFFFAOYSA-N 1 1 313.354 0.741 20 5 DCBDMO CCn1c(C)nc([N+](=O)[O-])c1NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000288864649 415694734 /nfs/dbraw/zinc/69/47/34/415694734.db2.gz LGTNCTGVRMVDID-LLVKDONJSA-N 1 1 324.385 0.871 20 5 DCBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000121173786 415797077 /nfs/dbraw/zinc/79/70/77/415797077.db2.gz HQSWWDKWCNGQOH-YPMHNXCESA-N 1 1 322.365 0.555 20 5 DCBDMO O=C(C1CC1)N1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000121322822 415799666 /nfs/dbraw/zinc/79/96/66/415799666.db2.gz QPZJHGZPKGMPGN-UHFFFAOYSA-N 1 1 307.354 0.736 20 5 DCBDMO O=C(C1CC1)N1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000121322822 415799675 /nfs/dbraw/zinc/79/96/75/415799675.db2.gz QPZJHGZPKGMPGN-UHFFFAOYSA-N 1 1 307.354 0.736 20 5 DCBDMO C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+](C2CC2)C1 ZINC000295423978 415891727 /nfs/dbraw/zinc/89/17/27/415891727.db2.gz UDZKGHBGBCELBI-LLVKDONJSA-N 1 1 307.354 0.734 20 5 DCBDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000356905486 416002152 /nfs/dbraw/zinc/00/21/52/416002152.db2.gz RPLLJTYYYUNAPV-WDEREUQCSA-N 1 1 308.338 0.308 20 5 DCBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000356905486 416002154 /nfs/dbraw/zinc/00/21/54/416002154.db2.gz RPLLJTYYYUNAPV-WDEREUQCSA-N 1 1 308.338 0.308 20 5 DCBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2CN2CCOCC2)c1 ZINC000174878005 416089419 /nfs/dbraw/zinc/08/94/19/416089419.db2.gz OFKARHOTDRJHHN-ZDUSSCGKSA-N 1 1 309.370 0.588 20 5 DCBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000357910289 416151709 /nfs/dbraw/zinc/15/17/09/416151709.db2.gz FFFJAMVYGFUFCJ-GFCCVEGCSA-N 1 1 324.385 0.815 20 5 DCBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000358039547 416175384 /nfs/dbraw/zinc/17/53/84/416175384.db2.gz CLFCRJXIZQEPQZ-CYBMUJFWSA-N 1 1 312.301 0.113 20 5 DCBDMO CNC(=O)[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000180250764 416195394 /nfs/dbraw/zinc/19/53/94/416195394.db2.gz GAWJYIOZSQTBIS-AWEZNQCLSA-N 1 1 323.349 0.811 20 5 DCBDMO CNC(=O)[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000180250764 416195397 /nfs/dbraw/zinc/19/53/97/416195397.db2.gz GAWJYIOZSQTBIS-AWEZNQCLSA-N 1 1 323.349 0.811 20 5 DCBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000331467853 416317183 /nfs/dbraw/zinc/31/71/83/416317183.db2.gz 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CNC(=O)N[C@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001658177284 1173920451 /nfs/dbraw/zinc/92/04/51/1173920451.db2.gz XADXWKBIHJDISA-WCQYABFASA-N 1 1 308.338 0.632 20 5 DCBDMO CNC(=O)N[C@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001658177284 1173920455 /nfs/dbraw/zinc/92/04/55/1173920455.db2.gz XADXWKBIHJDISA-WCQYABFASA-N 1 1 308.338 0.632 20 5 DCBDMO CC(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001659074060 1173929480 /nfs/dbraw/zinc/92/94/80/1173929480.db2.gz ZXZMNYJYUVDVSR-CHWSQXEVSA-N 1 1 323.349 0.545 20 5 DCBDMO COc1c(O)ccc(C[NH2+][C@@H]2C(=O)NCC2(C)C)c1[N+](=O)[O-] ZINC001659701427 1173933878 /nfs/dbraw/zinc/93/38/78/1173933878.db2.gz UUIWTLORRNEKGX-GFCCVEGCSA-N 1 1 309.322 0.923 20 5 DCBDMO C[N@H+](Cc1cccc(=O)[nH]1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001660319398 1173976799 /nfs/dbraw/zinc/97/67/99/1173976799.db2.gz GVBCCJAALIRFBZ-GFCCVEGCSA-N 1 1 307.310 0.385 20 5 DCBDMO Cn1cc(C(=O)NCC[N@H+](C)Cc2cccc([N+](=O)[O-])c2)nn1 ZINC001731769899 1185477438 /nfs/dbraw/zinc/47/74/38/1185477438.db2.gz VGWFPFYNHWRKCP-UHFFFAOYSA-N 1 1 318.337 0.585 20 5 DCBDMO Cn1cc(C(=O)NCC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)nn1 ZINC001731769899 1185477443 /nfs/dbraw/zinc/47/74/43/1185477443.db2.gz VGWFPFYNHWRKCP-UHFFFAOYSA-N 1 1 318.337 0.585 20 5 DCBDMO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1ncn[nH]1 ZINC001754529517 1188875161 /nfs/dbraw/zinc/87/51/61/1188875161.db2.gz OKEFKZWNFCNGMV-UHFFFAOYSA-N 1 1 316.321 0.765 20 5 DCBDMO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1nc[nH]n1 ZINC001754529517 1188875164 /nfs/dbraw/zinc/87/51/64/1188875164.db2.gz OKEFKZWNFCNGMV-UHFFFAOYSA-N 1 1 316.321 0.765 20 5 DCBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC001164666311 719375022 /nfs/dbraw/zinc/37/50/22/719375022.db2.gz DVMQZBJBFQRHQA-RYUDHWBXSA-N 1 1 322.321 0.296 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)n1 ZINC000342703473 719485595 /nfs/dbraw/zinc/48/55/95/719485595.db2.gz KIDVSVIPUVXEGK-NEPJUHHUSA-N 1 1 322.321 0.296 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1cscn1 ZINC001124737909 751701690 /nfs/dbraw/zinc/70/16/90/751701690.db2.gz ZUQCPYVLFZOTFV-UHFFFAOYSA-N 1 1 310.339 0.304 20 5 DCBDMO Cc1ncoc1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001125325383 747013297 /nfs/dbraw/zinc/01/32/97/747013297.db2.gz BUDMJVZVLQGWDB-UHFFFAOYSA-N 1 1 308.298 0.144 20 5 DCBDMO O=C(CCc1nc[nH]n1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001125419602 747125168 /nfs/dbraw/zinc/12/51/68/747125168.db2.gz MQLDYKPZVBMIBC-UHFFFAOYSA-N 1 1 318.337 0.552 20 5 DCBDMO Cn1ccc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)c1 ZINC001125659255 747469240 /nfs/dbraw/zinc/46/92/40/747469240.db2.gz PZIYFKLCEQPNTR-UHFFFAOYSA-N 1 1 306.326 0.186 20 5 DCBDMO CN(C(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC001126936481 750149731 /nfs/dbraw/zinc/14/97/31/750149731.db2.gz KJNOVFRLLUNSNE-CHWSQXEVSA-N 1 1 320.349 0.020 20 5 DCBDMO CC(=O)CCCC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001123480906 751331927 /nfs/dbraw/zinc/33/19/27/751331927.db2.gz YXTPXLQNJDMOLE-UHFFFAOYSA-N 1 1 311.342 0.293 20 5 DCBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@H](O)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170334052 762612125 /nfs/dbraw/zinc/61/21/25/762612125.db2.gz AGYGMRIWDFERSY-WBIUFABUSA-N 1 1 310.350 0.819 20 5 DCBDMO Cc1nc(C)c(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC001086082924 759691424 /nfs/dbraw/zinc/69/14/24/759691424.db2.gz IBPXZXFCXUSGBR-YVECIDJPSA-N 1 1 322.365 0.941 20 5 DCBDMO Cc1ccc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)cn1 ZINC001123635957 768010844 /nfs/dbraw/zinc/01/08/44/768010844.db2.gz XCNHQJSQMTURRR-UHFFFAOYSA-N 1 1 318.337 0.551 20 5 DCBDMO Cc1cc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)ccn1 ZINC001135559542 765983933 /nfs/dbraw/zinc/98/39/33/765983933.db2.gz ORCHRXDCVSGITD-UHFFFAOYSA-N 1 1 318.337 0.551 20 5 DCBDMO CN1CC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001120573246 767083595 /nfs/dbraw/zinc/08/35/95/767083595.db2.gz NCHLSWVKRZNEFN-STQMWFEESA-N 1 1 309.366 0.876 20 5 DCBDMO COCCn1c(C[N+](=O)[O-])nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC001122419240 767798570 /nfs/dbraw/zinc/79/85/70/767798570.db2.gz YVTWXPDRYOLASB-UHFFFAOYSA-N 1 1 312.374 0.232 20 5 DCBDMO Nc1ccc[nH+]c1N1CCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001154783398 770295193 /nfs/dbraw/zinc/29/51/93/770295193.db2.gz TZOPMIYIJNBANY-UHFFFAOYSA-N 1 1 315.337 0.876 20 5 DCBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1CC[N@H+]1C ZINC001178455660 770758441 /nfs/dbraw/zinc/75/84/41/770758441.db2.gz KBHHWSRLVNRJNL-MNOVXSKESA-N 1 1 324.385 0.648 20 5 DCBDMO COc1nc(N2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001157266828 771571187 /nfs/dbraw/zinc/57/11/87/771571187.db2.gz XUWFHFKABGSUJS-VHSXEESVSA-N 1 1 323.353 0.932 20 5 DCBDMO CCOC(=O)c1ccnc(N2CC3(C2)C[NH+](C)C3)c1[N+](=O)[O-] ZINC001158867914 771829165 /nfs/dbraw/zinc/82/91/65/771829165.db2.gz BKDVBHUSDQBSKN-UHFFFAOYSA-N 1 1 306.322 0.918 20 5 DCBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC001162249577 772347473 /nfs/dbraw/zinc/34/74/73/772347473.db2.gz SCTWBBUHJBUCMU-GHMZBOCLSA-N 1 1 308.338 0.517 20 5 DCBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC001162249577 772347479 /nfs/dbraw/zinc/34/74/79/772347479.db2.gz SCTWBBUHJBUCMU-GHMZBOCLSA-N 1 1 308.338 0.517 20 5 DCBDMO CC(C)(O)C[C@@H](O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001191763499 772815468 /nfs/dbraw/zinc/81/54/68/772815468.db2.gz JZIAVZHXWMMJDJ-WCQYABFASA-N 1 1 324.381 0.998 20 5 DCBDMO COC(=O)C1([NH3+])CCN(c2ncc(OC)cc2[N+](=O)[O-])CC1 ZINC001166797770 772861759 /nfs/dbraw/zinc/86/17/59/772861759.db2.gz USWIJSGZTVUAEC-UHFFFAOYSA-N 1 1 310.310 0.469 20 5 DCBDMO C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCn1cc(Cl)cn1 ZINC001480863600 939039076 /nfs/dbraw/zinc/03/90/76/939039076.db2.gz ZCLTYHBFVWVPPU-GHMZBOCLSA-N 1 1 315.761 0.250 20 5 DCBDMO C[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCn1cc(Cl)cn1 ZINC001480863600 939039079 /nfs/dbraw/zinc/03/90/79/939039079.db2.gz ZCLTYHBFVWVPPU-GHMZBOCLSA-N 1 1 315.761 0.250 20 5 DCBDMO C[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCn1cc(Cl)cn1 ZINC001480863600 939039082 /nfs/dbraw/zinc/03/90/82/939039082.db2.gz ZCLTYHBFVWVPPU-GHMZBOCLSA-N 1 1 315.761 0.250 20 5 DCBDMO Cn1cc(CC[N@@H+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)cn1 ZINC001266592482 939173067 /nfs/dbraw/zinc/17/30/67/939173067.db2.gz QYTHHYUMKMDHDM-ZIAGYGMSSA-N 1 1 321.381 0.208 20 5 DCBDMO Cn1cc(CC[N@H+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)cn1 ZINC001266592482 939173069 /nfs/dbraw/zinc/17/30/69/939173069.db2.gz QYTHHYUMKMDHDM-ZIAGYGMSSA-N 1 1 321.381 0.208 20 5 DCBDMO Cn1cc(CC[N@@H+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)cn1 ZINC001266592482 939173071 /nfs/dbraw/zinc/17/30/71/939173071.db2.gz QYTHHYUMKMDHDM-ZIAGYGMSSA-N 1 1 321.381 0.208 20 5 DCBDMO O=C(N[C@H]1C[C@H]([NH2+]CCOCC2CCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001490889448 943548636 /nfs/dbraw/zinc/54/86/36/943548636.db2.gz GETZUGUCENHMSU-AAVRWANBSA-N 1 1 311.382 0.705 20 5 DCBDMO COCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001491300921 943901376 /nfs/dbraw/zinc/90/13/76/943901376.db2.gz QBFSVVMHAIUGIZ-NHAGDIPZSA-N 1 1 305.334 0.788 20 5 DCBDMO COc1ccc(C[C@H](C)NC[C@@H]2C[NH2+]CCN2)c([N+](=O)[O-])c1 ZINC001246488277 945419451 /nfs/dbraw/zinc/41/94/51/945419451.db2.gz JLDSDOGKKCPDJI-AAEUAGOBSA-N 1 1 308.382 0.685 20 5 DCBDMO CN1CCN(CC[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254567413 946409674 /nfs/dbraw/zinc/40/96/74/946409674.db2.gz NPDCJNAVQMCTPS-HNNXBMFYSA-N 1 1 304.394 0.899 20 5 DCBDMO COc1cc(NCC(=O)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001262680678 947747873 /nfs/dbraw/zinc/74/78/73/947747873.db2.gz MHEXKTCNSUKDFP-UHFFFAOYSA-N 1 1 308.338 0.789 20 5 DCBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2nnc3n2CCOC3)c1 ZINC001326598564 948210937 /nfs/dbraw/zinc/21/09/37/948210937.db2.gz XMEHABZAQFGKSJ-GFCCVEGCSA-N 1 1 319.321 0.540 20 5 DCBDMO O=[N+]([O-])Cc1nnc(N2CC[NH+](C3CC3)CC2)n1CC1CC1 ZINC001263676847 948733703 /nfs/dbraw/zinc/73/37/03/948733703.db2.gz YXIJMKWNGUZCFQ-UHFFFAOYSA-N 1 1 306.370 0.749 20 5 DCBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC([NH+]3CCOCC3)CC2)n1 ZINC001329055857 949319588 /nfs/dbraw/zinc/31/95/88/949319588.db2.gz ZIFKVXPDBHJOCE-UHFFFAOYSA-N 1 1 323.353 0.265 20 5 DCBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC([NH+]2CCCC2)C1 ZINC001335065314 952452073 /nfs/dbraw/zinc/45/20/73/952452073.db2.gz XDOQGMPIPZQGGQ-UHFFFAOYSA-N 1 1 306.322 0.063 20 5 DCBDMO C[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC001335397374 952531492 /nfs/dbraw/zinc/53/14/92/952531492.db2.gz GGDNJKPEGKCWTA-VBNZEHGJSA-N 1 1 322.409 0.852 20 5 DCBDMO Cn1c(C[N+](=O)[O-])nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001339554314 953101897 /nfs/dbraw/zinc/10/18/97/953101897.db2.gz QNJKDWLCYIFTBL-UHFFFAOYSA-N 1 1 322.394 0.976 20 5 DCBDMO C[NH+]1CC(N2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC2)C1 ZINC001352910624 955822731 /nfs/dbraw/zinc/82/27/31/955822731.db2.gz MYQAJVTXAWPWTM-UHFFFAOYSA-N 1 1 319.365 0.249 20 5 DCBDMO C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC001353316078 956016827 /nfs/dbraw/zinc/01/68/27/956016827.db2.gz MGUGECZBKXOADT-RCBQFDQVSA-N 1 1 322.409 0.852 20 5 DCBDMO C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCN1C ZINC001353316078 956016841 /nfs/dbraw/zinc/01/68/41/956016841.db2.gz MGUGECZBKXOADT-RCBQFDQVSA-N 1 1 322.409 0.852 20 5 DCBDMO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1cc([N+](=O)[O-])n[nH]1 ZINC001303634249 960062582 /nfs/dbraw/zinc/06/25/82/960062582.db2.gz XNLYLRFTNVHKMS-WPRPVWTQSA-N 1 1 311.367 0.628 20 5 DCBDMO O=C(N[C@H]1CCC[N@H+]2CCSC[C@@H]12)c1cc([N+](=O)[O-])n[nH]1 ZINC001303634249 960062593 /nfs/dbraw/zinc/06/25/93/960062593.db2.gz XNLYLRFTNVHKMS-WPRPVWTQSA-N 1 1 311.367 0.628 20 5 DCBDMO CC1(C)[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC001469717016 1016358591 /nfs/dbraw/zinc/35/85/91/1016358591.db2.gz PZISCVGHTOXNKN-GHMZBOCLSA-N 1 1 323.353 0.547 20 5 DCBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C2)C1 ZINC001472573006 1016829791 /nfs/dbraw/zinc/82/97/91/1016829791.db2.gz ZKFRSGZBCXDNAZ-CQSZACIVSA-N 1 1 306.322 0.863 20 5 DCBDMO CS(=O)(=O)NC[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001473776642 1016969324 /nfs/dbraw/zinc/96/93/24/1016969324.db2.gz OLYYVQBPCQINMG-LBPRGKRZSA-N 1 1 313.379 0.966 20 5 DCBDMO CS(=O)(=O)NC[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001473776642 1016969338 /nfs/dbraw/zinc/96/93/38/1016969338.db2.gz OLYYVQBPCQINMG-LBPRGKRZSA-N 1 1 313.379 0.966 20 5 DCBDMO C[N@H+]1CC[C@@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC001458623824 1012232644 /nfs/dbraw/zinc/23/26/44/1012232644.db2.gz WFGJMVWAXUGXSX-MRVPVSSYSA-N 1 1 300.340 0.358 20 5 DCBDMO C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@H]1C[N@@H+](C)CCN1C ZINC001559284830 1012414585 /nfs/dbraw/zinc/41/45/85/1012414585.db2.gz RUXJKWCXSCIAGZ-IINYFYTJSA-N 1 1 321.381 0.740 20 5 DCBDMO C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@H]1CN(C)CC[N@@H+]1C ZINC001559284830 1012414593 /nfs/dbraw/zinc/41/45/93/1012414593.db2.gz RUXJKWCXSCIAGZ-IINYFYTJSA-N 1 1 321.381 0.740 20 5 DCBDMO C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@H]1CN(C)CC[N@H+]1C ZINC001559284830 1012414605 /nfs/dbraw/zinc/41/46/05/1012414605.db2.gz RUXJKWCXSCIAGZ-IINYFYTJSA-N 1 1 321.381 0.740 20 5 DCBDMO O=[N+]([O-])c1cnn(CC[NH2+]C2(c3ncccn3)CCOCC2)c1 ZINC001460832519 1012974906 /nfs/dbraw/zinc/97/49/06/1012974906.db2.gz PBNXZPSYLXWCFD-UHFFFAOYSA-N 1 1 318.337 0.877 20 5 DCBDMO O=C(NCC1([NH2+]CCC2CC2)CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001500570491 1018497447 /nfs/dbraw/zinc/49/74/47/1018497447.db2.gz GANMLRKQOZIJBM-CHWSQXEVSA-N 1 1 311.382 0.707 20 5 DCBDMO CNC(=O)CC[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181717742 199343916 /nfs/dbraw/zinc/34/39/16/199343916.db2.gz OVQYIIIDQLOPIP-NSHDSACASA-N 1 1 311.338 0.402 20 5 DCBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000331022760 232358941 /nfs/dbraw/zinc/35/89/41/232358941.db2.gz ZMWBPZQFBDYPNB-NSHDSACASA-N 1 1 309.370 0.679 20 5 DCBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000272634812 210038409 /nfs/dbraw/zinc/03/84/09/210038409.db2.gz XKLOWKJSLCQPST-DGCLKSJQSA-N 1 1 322.369 0.527 20 5 DCBDMO NC(=O)[C@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC[NH2+]1 ZINC000278182737 283355542 /nfs/dbraw/zinc/35/55/42/283355542.db2.gz DFVIQUFXOGYPES-ZCFIWIBFSA-N 1 1 319.243 0.272 20 5 DCBDMO C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000153800948 291208808 /nfs/dbraw/zinc/20/88/08/291208808.db2.gz QROYIYGMKSTVCX-LLVKDONJSA-N 1 1 320.349 0.991 20 5 DCBDMO CCn1ncnc1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566123344 291272320 /nfs/dbraw/zinc/27/23/20/291272320.db2.gz HKOCDPQBIZVPKQ-LBPRGKRZSA-N 1 1 321.337 0.736 20 5 DCBDMO CC(C)[C@@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000489318453 241092431 /nfs/dbraw/zinc/09/24/31/241092431.db2.gz OMGNTKCIOVMLGL-LBPRGKRZSA-N 1 1 322.365 0.555 20 5 DCBDMO CC(C)[C@@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000489318453 241092442 /nfs/dbraw/zinc/09/24/42/241092442.db2.gz OMGNTKCIOVMLGL-LBPRGKRZSA-N 1 1 322.365 0.555 20 5 DCBDMO O=C(NC1CC1)N[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000274055688 211313079 /nfs/dbraw/zinc/31/30/79/211313079.db2.gz SVJCAUBOQLSQKF-NSHDSACASA-N 1 1 308.342 0.327 20 5 DCBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000106396470 194206348 /nfs/dbraw/zinc/20/63/48/194206348.db2.gz ZHKMPGGJABJOQK-CYBMUJFWSA-N 1 1 322.365 0.827 20 5 DCBDMO C[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000340926536 253324040 /nfs/dbraw/zinc/32/40/40/253324040.db2.gz JPJHCWHZJJNWAG-MFKMUULPSA-N 1 1 305.334 0.939 20 5 DCBDMO C[C@@H]1C[C@H](O)C[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000340926536 253324042 /nfs/dbraw/zinc/32/40/42/253324042.db2.gz JPJHCWHZJJNWAG-MFKMUULPSA-N 1 1 305.334 0.939 20 5 DCBDMO NC(=O)c1cccc(NCCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000341270190 253363169 /nfs/dbraw/zinc/36/31/69/253363169.db2.gz VCGXMUUUKAYURW-UHFFFAOYSA-N 1 1 308.338 0.828 20 5 DCBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000347240078 254141305 /nfs/dbraw/zinc/14/13/05/254141305.db2.gz RXPUUEYQJFUJKW-LLVKDONJSA-N 1 1 310.354 0.462 20 5 DCBDMO CC[N@@H+](CCO)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000347802009 254192203 /nfs/dbraw/zinc/19/22/03/254192203.db2.gz CPJSKXUWSDEOQM-UHFFFAOYSA-N 1 1 313.329 0.707 20 5 DCBDMO CC[N@@H+]1CCO[C@H](C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000351916873 254380315 /nfs/dbraw/zinc/38/03/15/254380315.db2.gz IPLMXUBITCUNPJ-AWEZNQCLSA-N 1 1 323.349 0.940 20 5 DCBDMO CC[N@H+]1CCO[C@H](C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000351916873 254380317 /nfs/dbraw/zinc/38/03/17/254380317.db2.gz IPLMXUBITCUNPJ-AWEZNQCLSA-N 1 1 323.349 0.940 20 5 DCBDMO C[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000351825328 254372586 /nfs/dbraw/zinc/37/25/86/254372586.db2.gz XKCVUNHSZRSTEQ-QMTHXVAHSA-N 1 1 305.334 0.797 20 5 DCBDMO C[C@@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000351825328 254372587 /nfs/dbraw/zinc/37/25/87/254372587.db2.gz XKCVUNHSZRSTEQ-QMTHXVAHSA-N 1 1 305.334 0.797 20 5 DCBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000293926996 131783791 /nfs/dbraw/zinc/78/37/91/131783791.db2.gz IXNUNDMPNXNSDW-CQSZACIVSA-N 1 1 307.354 0.736 20 5 DCBDMO CC[NH+]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000029185975 395697177 /nfs/dbraw/zinc/69/71/77/395697177.db2.gz CXIHMSZWDJHFEF-UHFFFAOYSA-N 1 1 303.322 0.973 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000108298501 395788104 /nfs/dbraw/zinc/78/81/04/395788104.db2.gz XPGYNBVZNYROIC-LBPRGKRZSA-N 1 1 307.354 0.700 20 5 DCBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](CCO)CC1 ZINC000045311205 395762225 /nfs/dbraw/zinc/76/22/25/395762225.db2.gz JJYHZYQVPBUHGV-LBPRGKRZSA-N 1 1 322.365 0.532 20 5 DCBDMO CC(=O)NC1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000050991651 395843770 /nfs/dbraw/zinc/84/37/70/395843770.db2.gz ARPFNQKOTVNEQW-UHFFFAOYSA-N 1 1 320.349 0.794 20 5 DCBDMO O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@@H]2COCC[NH2+]2)cc1 ZINC000236419680 395894407 /nfs/dbraw/zinc/89/44/07/395894407.db2.gz LAEQMEZWEOQFDS-LLVKDONJSA-N 1 1 315.351 0.003 20 5 DCBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000274552930 395958049 /nfs/dbraw/zinc/95/80/49/395958049.db2.gz XZKWYHBQJKZOJA-GFCCVEGCSA-N 1 1 322.365 0.746 20 5 DCBDMO COC(=O)[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000248969239 396001028 /nfs/dbraw/zinc/00/10/28/396001028.db2.gz CGNPGLNJSXIPLR-WCQYABFASA-N 1 1 323.349 0.888 20 5 DCBDMO NC(=O)[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248437187 395987598 /nfs/dbraw/zinc/98/75/98/395987598.db2.gz BCXIIHNJRWULCB-AAEUAGOBSA-N 1 1 323.349 0.674 20 5 DCBDMO NC(=O)[C@@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248437187 395987601 /nfs/dbraw/zinc/98/76/01/395987601.db2.gz BCXIIHNJRWULCB-AAEUAGOBSA-N 1 1 323.349 0.674 20 5 DCBDMO C[NH2+][C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000262272208 396116720 /nfs/dbraw/zinc/11/67/20/396116720.db2.gz VYBPZNQZNPKLJC-CYBMUJFWSA-N 1 1 303.322 0.905 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCO)CCCO ZINC000072630595 396133279 /nfs/dbraw/zinc/13/32/79/396133279.db2.gz YTWACYYQOKBMBB-UHFFFAOYSA-N 1 1 311.338 0.518 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCO)CCCO ZINC000072630595 396133283 /nfs/dbraw/zinc/13/32/83/396133283.db2.gz YTWACYYQOKBMBB-UHFFFAOYSA-N 1 1 311.338 0.518 20 5 DCBDMO Cc1cc(NC[C@](C)(O)C[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000074766231 396172063 /nfs/dbraw/zinc/17/20/63/396172063.db2.gz JLTKTUCGANCOCD-AWEZNQCLSA-N 1 1 310.354 0.793 20 5 DCBDMO C[C@@]1(O)CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000178022999 396187268 /nfs/dbraw/zinc/18/72/68/396187268.db2.gz YBQNBZZGYKKJBZ-OAHLLOKOSA-N 1 1 305.334 0.941 20 5 DCBDMO C[C@@]1(O)CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000178022999 396187270 /nfs/dbraw/zinc/18/72/70/396187270.db2.gz YBQNBZZGYKKJBZ-OAHLLOKOSA-N 1 1 305.334 0.941 20 5 DCBDMO Cn1cc[nH+]c1N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000077209574 396214720 /nfs/dbraw/zinc/21/47/20/396214720.db2.gz GQWGTELTEMKUFO-UHFFFAOYSA-N 1 1 304.314 0.027 20 5 DCBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000264565836 396291775 /nfs/dbraw/zinc/29/17/75/396291775.db2.gz RMRZEDPSIVDNTO-VIFPVBQESA-N 1 1 310.310 0.257 20 5 DCBDMO O=[N+]([O-])c1cc(C[N@@H+](CCO)CCCO)c2c(c1)COCO2 ZINC000264611526 396295012 /nfs/dbraw/zinc/29/50/12/396295012.db2.gz JYDRABGLAUSZPB-UHFFFAOYSA-N 1 1 312.322 0.638 20 5 DCBDMO O=[N+]([O-])c1cc(C[N@H+](CCO)CCCO)c2c(c1)COCO2 ZINC000264611526 396295014 /nfs/dbraw/zinc/29/50/14/396295014.db2.gz JYDRABGLAUSZPB-UHFFFAOYSA-N 1 1 312.322 0.638 20 5 DCBDMO C[N@H+]1CC[C@@H](CNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000264677701 396302470 /nfs/dbraw/zinc/30/24/70/396302470.db2.gz NIRWAVALSCGMSS-LBPRGKRZSA-N 1 1 321.333 0.854 20 5 DCBDMO CCC[NH+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC000269719752 396439752 /nfs/dbraw/zinc/43/97/52/396439752.db2.gz PRSKRWFESFRCJY-UHFFFAOYSA-N 1 1 308.338 0.311 20 5 DCBDMO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000594964879 396541341 /nfs/dbraw/zinc/54/13/41/396541341.db2.gz BVZITNAAQZLLQC-NEPJUHHUSA-N 1 1 300.336 0.496 20 5 DCBDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595680378 396648151 /nfs/dbraw/zinc/64/81/51/396648151.db2.gz ZYZSQCBDQZEWIU-XBFCOCLRSA-N 1 1 312.370 0.635 20 5 DCBDMO O=CN1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000294087088 396652496 /nfs/dbraw/zinc/65/24/96/396652496.db2.gz ATQJNMMDHKWGOH-CYBMUJFWSA-N 1 1 323.349 0.499 20 5 DCBDMO CCc1nocc1C[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000293456293 396610516 /nfs/dbraw/zinc/61/05/16/396610516.db2.gz PVCKCBOUROWKEQ-LBPRGKRZSA-N 1 1 309.326 0.835 20 5 DCBDMO C[N@H+]1CC[C@]2(CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000293935076 396642306 /nfs/dbraw/zinc/64/23/06/396642306.db2.gz QTCYDALSWRXKCA-AWEZNQCLSA-N 1 1 307.354 0.736 20 5 DCBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588862533 396695578 /nfs/dbraw/zinc/69/55/78/396695578.db2.gz DGFCYAILJCNCAJ-LSDHHAIUSA-N 1 1 319.361 0.805 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000314582494 396782770 /nfs/dbraw/zinc/78/27/70/396782770.db2.gz PRIWIZGTSWJWFI-BXUZGUMPSA-N 1 1 309.370 0.226 20 5 DCBDMO NC(=O)c1cc(N2CC[N@@H+]3CCOC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000596193324 396728964 /nfs/dbraw/zinc/72/89/64/396728964.db2.gz JYSGOXGYXXWJTO-LLVKDONJSA-N 1 1 306.322 0.215 20 5 DCBDMO NC(=O)c1cc(N2CC[N@H+]3CCOC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000596193324 396728968 /nfs/dbraw/zinc/72/89/68/396728968.db2.gz JYSGOXGYXXWJTO-LLVKDONJSA-N 1 1 306.322 0.215 20 5 DCBDMO O=C(CCNc1ccccc1[N+](=O)[O-])NCC[N@@H+]1CC[C@H](O)C1 ZINC000600806817 396946341 /nfs/dbraw/zinc/94/63/41/396946341.db2.gz HDMPUWQWHDJPBD-LBPRGKRZSA-N 1 1 322.365 0.580 20 5 DCBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000377513301 397090754 /nfs/dbraw/zinc/09/07/54/397090754.db2.gz SQIKYGKILWRKIV-AAEUAGOBSA-N 1 1 323.353 0.161 20 5 DCBDMO C[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000572461760 397060369 /nfs/dbraw/zinc/06/03/69/397060369.db2.gz ODOLPABVMALZSY-NHYWBVRUSA-N 1 1 307.350 0.881 20 5 DCBDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000592206547 397130344 /nfs/dbraw/zinc/13/03/44/397130344.db2.gz ZOWIGGAUTXVFEJ-YPMHNXCESA-N 1 1 324.333 0.829 20 5 DCBDMO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000592308513 397149230 /nfs/dbraw/zinc/14/92/30/397149230.db2.gz NMBBFDOYJKANKE-PRHODGIISA-N 1 1 319.321 0.659 20 5 DCBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH2+]CC1 ZINC000592363145 397160406 /nfs/dbraw/zinc/16/04/06/397160406.db2.gz DDCRDHFGQWCEHS-UHFFFAOYSA-N 1 1 301.324 0.197 20 5 DCBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)C1 ZINC000619787784 397192838 /nfs/dbraw/zinc/19/28/38/397192838.db2.gz UGUCFLQBOAIUOM-NSHDSACASA-N 1 1 322.369 0.170 20 5 DCBDMO COC(=O)c1ccnc(NCC[N@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000599198908 397361237 /nfs/dbraw/zinc/36/12/37/397361237.db2.gz ANASYDHNKCGUQG-VIFPVBQESA-N 1 1 310.310 0.255 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCc3c(O)cccc3C2)c1 ZINC000599644902 397493188 /nfs/dbraw/zinc/49/31/88/397493188.db2.gz AOWIUISQWHIEDX-CYBMUJFWSA-N 1 1 318.333 0.916 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000602838076 397498188 /nfs/dbraw/zinc/49/81/88/397498188.db2.gz FTTSJVCPERSQTJ-NSHDSACASA-N 1 1 316.383 0.466 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000602838076 397498189 /nfs/dbraw/zinc/49/81/89/397498189.db2.gz FTTSJVCPERSQTJ-NSHDSACASA-N 1 1 316.383 0.466 20 5 DCBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599937656 397546102 /nfs/dbraw/zinc/54/61/02/397546102.db2.gz HUKAUPDYFIYOPC-WCQYABFASA-N 1 1 321.333 0.582 20 5 DCBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000599937656 397546105 /nfs/dbraw/zinc/54/61/05/397546105.db2.gz HUKAUPDYFIYOPC-WCQYABFASA-N 1 1 321.333 0.582 20 5 DCBDMO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000579953667 397599718 /nfs/dbraw/zinc/59/97/18/397599718.db2.gz BYINCDIEEMCMAP-OASPWFOLSA-N 1 1 309.322 0.925 20 5 DCBDMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000609134949 397762051 /nfs/dbraw/zinc/76/20/51/397762051.db2.gz CMCUEMKBGPZVMY-QWHCGFSZSA-N 1 1 308.338 0.594 20 5 DCBDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)C1 ZINC000609665104 397788366 /nfs/dbraw/zinc/78/83/66/397788366.db2.gz YCAZPNQFIAKEPL-GFCCVEGCSA-N 1 1 321.381 0.775 20 5 DCBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000126324685 158264537 /nfs/dbraw/zinc/26/45/37/158264537.db2.gz GJPFXPKSWLUHEZ-LBPRGKRZSA-N 1 1 324.385 0.957 20 5 DCBDMO NC(=O)c1ccc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000321654740 159010570 /nfs/dbraw/zinc/01/05/70/159010570.db2.gz QDNRZFJAOSIGFM-VXGBXAGGSA-N 1 1 320.349 0.969 20 5 DCBDMO NC(=O)c1ccc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000321654739 159010690 /nfs/dbraw/zinc/01/06/90/159010690.db2.gz QDNRZFJAOSIGFM-RYUDHWBXSA-N 1 1 320.349 0.969 20 5 DCBDMO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000367583845 159345090 /nfs/dbraw/zinc/34/50/90/159345090.db2.gz GDRHZZNLBASSKP-STQMWFEESA-N 1 1 309.370 0.586 20 5 DCBDMO COCC[N@@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000355542906 287183820 /nfs/dbraw/zinc/18/38/20/287183820.db2.gz GGRXWGPQNKDTIR-UHFFFAOYSA-N 1 1 311.338 0.911 20 5 DCBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1COC[C@@H]1O ZINC000352808449 415336025 /nfs/dbraw/zinc/33/60/25/415336025.db2.gz YKADUNYRCRJETJ-UBHSHLNASA-N 1 1 312.322 0.026 20 5 DCBDMO CC[N@@H+](C)CCNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000066959320 415367685 /nfs/dbraw/zinc/36/76/85/415367685.db2.gz HBVKHPARVBITMW-LLVKDONJSA-N 1 1 322.365 0.781 20 5 DCBDMO CCn1cc(S(=O)(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)c([N+](=O)[O-])n1 ZINC000353220636 415480807 /nfs/dbraw/zinc/48/08/07/415480807.db2.gz VFNQTVXQWIXSQL-RKDXNWHRSA-N 1 1 317.371 0.182 20 5 DCBDMO NC(=O)CC[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090525188 415531713 /nfs/dbraw/zinc/53/17/13/415531713.db2.gz DQBZSCIHHYDLIP-GFCCVEGCSA-N 1 1 322.365 0.734 20 5 DCBDMO CCn1c(C)nc([N+](=O)[O-])c1NCC(=O)N1CC[NH+](CC)CC1 ZINC000288864635 415696433 /nfs/dbraw/zinc/69/64/33/415696433.db2.gz LGBXFZOGVZSUCR-UHFFFAOYSA-N 1 1 324.385 0.696 20 5 DCBDMO CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000118122924 415733718 /nfs/dbraw/zinc/73/37/18/415733718.db2.gz UFZQLNGNSCRGFK-UHFFFAOYSA-N 1 1 308.338 0.990 20 5 DCBDMO CC[NH+]1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000127405934 415889071 /nfs/dbraw/zinc/88/90/71/415889071.db2.gz BMIUUHJMYZLGCJ-UHFFFAOYSA-N 1 1 314.367 0.384 20 5 DCBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)[C@@H](C)C1 ZINC000356894183 416001154 /nfs/dbraw/zinc/00/11/54/416001154.db2.gz KISMITZNQKIKRP-VHSXEESVSA-N 1 1 323.353 0.099 20 5 DCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)[C@@H](C)C1 ZINC000356894183 416001158 /nfs/dbraw/zinc/00/11/58/416001158.db2.gz KISMITZNQKIKRP-VHSXEESVSA-N 1 1 323.353 0.099 20 5 DCBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000356727043 415978290 /nfs/dbraw/zinc/97/82/90/415978290.db2.gz BXPJPMWQVSZKMX-QWRGUYRKSA-N 1 1 307.354 0.885 20 5 DCBDMO CO[C@H]1C[C@@H](CN(C)C(=O)c2cc([N+](=O)[O-])nn2C)[N@@H+](C)C1 ZINC000344510021 415933241 /nfs/dbraw/zinc/93/32/41/415933241.db2.gz KNIXUPFPQWYYMX-UWVGGRQHSA-N 1 1 311.342 0.119 20 5 DCBDMO C[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000299665220 416062848 /nfs/dbraw/zinc/06/28/48/416062848.db2.gz RFQWZQOEBRRDLB-GFCCVEGCSA-N 1 1 306.366 0.847 20 5 DCBDMO CNC(=O)CC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000170784111 416031491 /nfs/dbraw/zinc/03/14/91/416031491.db2.gz DPPGYDZEOAWDHV-UHFFFAOYSA-N 1 1 308.338 0.991 20 5 DCBDMO Cn1cc(N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)cn1 ZINC000174927784 416089273 /nfs/dbraw/zinc/08/92/73/416089273.db2.gz ULGAUBSQDPXRAQ-UHFFFAOYSA-N 1 1 305.342 0.347 20 5 DCBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000357875827 416145994 /nfs/dbraw/zinc/14/59/94/416145994.db2.gz JBYMBWDLNDGFRQ-LLVKDONJSA-N 1 1 311.342 0.018 20 5 DCBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000330682984 416229747 /nfs/dbraw/zinc/22/97/47/416229747.db2.gz QPSDAECADPIJNC-NSHDSACASA-N 1 1 310.358 0.423 20 5 DCBDMO C[C@H](O)C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)CO ZINC000190858434 416283484 /nfs/dbraw/zinc/28/34/84/416283484.db2.gz PVTCGMUWCLUIOM-QWRGUYRKSA-N 1 1 311.338 0.597 20 5 DCBDMO C[C@H](O)C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)CO ZINC000190858434 416283487 /nfs/dbraw/zinc/28/34/87/416283487.db2.gz PVTCGMUWCLUIOM-QWRGUYRKSA-N 1 1 311.338 0.597 20 5 DCBDMO CCn1cc(C[N@H+](CCO)CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000361354140 416431444 /nfs/dbraw/zinc/43/14/44/416431444.db2.gz WLOPUCNPGVJMGT-UHFFFAOYSA-N 1 1 308.342 0.502 20 5 DCBDMO CCn1cc(C[N@@H+](CCO)CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000361354140 416431446 /nfs/dbraw/zinc/43/14/46/416431446.db2.gz WLOPUCNPGVJMGT-UHFFFAOYSA-N 1 1 308.342 0.502 20 5 DCBDMO COC(=O)c1cc(C(=O)NCC(F)(F)C[NH3+])cc([N+](=O)[O-])c1 ZINC000423539319 416521116 /nfs/dbraw/zinc/52/11/16/416521116.db2.gz ICRPAKHBVNRAEG-UHFFFAOYSA-N 1 1 317.248 0.705 20 5 DCBDMO CC[N@@H+]1CCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])C[C@@H]1C ZINC000594329617 416560365 /nfs/dbraw/zinc/56/03/65/416560365.db2.gz NTIKRTRDFSIOAN-JTQLQIEISA-N 1 1 307.354 1.198 20 5 DCBDMO CC[N@H+]1CCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])C[C@@H]1C ZINC000594329617 416560370 /nfs/dbraw/zinc/56/03/70/416560370.db2.gz NTIKRTRDFSIOAN-JTQLQIEISA-N 1 1 307.354 1.198 20 5 DCBDMO Nc1nc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)ncc1[N+](=O)[O-] ZINC000596570417 416584835 /nfs/dbraw/zinc/58/48/35/416584835.db2.gz KPCXFGUISRLXDL-LLVKDONJSA-N 1 1 306.370 0.923 20 5 DCBDMO Cn1c(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000609285669 416653135 /nfs/dbraw/zinc/65/31/35/416653135.db2.gz MSGBFTONCMGZPE-YPMHNXCESA-N 1 1 322.365 0.605 20 5 DCBDMO Nc1nccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000548738469 416690963 /nfs/dbraw/zinc/69/09/63/416690963.db2.gz SMKQUFZFPHKLIS-MNOVXSKESA-N 1 1 305.338 0.929 20 5 DCBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccnc(N)c3[N+](=O)[O-])CC[C@@H]21 ZINC000548714577 416692072 /nfs/dbraw/zinc/69/20/72/416692072.db2.gz XXDSEARAUUIWQS-PWSUYJOCSA-N 1 1 319.365 1.128 20 5 DCBDMO CNS(=O)(=O)c1ccc(NCC[NH+]2CCC2)c([N+](=O)[O-])c1 ZINC000443875425 416790662 /nfs/dbraw/zinc/79/06/62/416790662.db2.gz FPIYTWSGZRFDCV-UHFFFAOYSA-N 1 1 314.367 0.621 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000519745618 416932948 /nfs/dbraw/zinc/93/29/48/416932948.db2.gz RHIKPBFEPCRBIV-NSHDSACASA-N 1 1 310.354 0.510 20 5 DCBDMO C[N@H+]1CC[C@@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000521415602 417009866 /nfs/dbraw/zinc/00/98/66/417009866.db2.gz QHCLFKCETABHDZ-LLVKDONJSA-N 1 1 307.354 0.907 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCSC[C@@H]2C2CC2)c1 ZINC000576467314 417612214 /nfs/dbraw/zinc/61/22/14/417612214.db2.gz WQAXXCSQZORCSC-QWHCGFSZSA-N 1 1 312.395 0.980 20 5 DCBDMO CN(C)C(=O)O[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000296618092 226054873 /nfs/dbraw/zinc/05/48/73/226054873.db2.gz GYVYHCNAUBHTIC-GFCCVEGCSA-N 1 1 324.337 0.529 20 5 DCBDMO CN(C)C(=O)O[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000296618092 226054875 /nfs/dbraw/zinc/05/48/75/226054875.db2.gz GYVYHCNAUBHTIC-GFCCVEGCSA-N 1 1 324.337 0.529 20 5 DCBDMO CN1CCC[C@@H](C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304321532 261173604 /nfs/dbraw/zinc/17/36/04/261173604.db2.gz QMYFTYLABOJWKZ-OCCSQVGLSA-N 1 1 311.386 0.426 20 5 DCBDMO CN1CCC[C@@H](C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304321532 261173606 /nfs/dbraw/zinc/17/36/06/261173606.db2.gz QMYFTYLABOJWKZ-OCCSQVGLSA-N 1 1 311.386 0.426 20 5 DCBDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000354556325 261236543 /nfs/dbraw/zinc/23/65/43/261236543.db2.gz UIAFTTDZKCGPAF-GFCCVEGCSA-N 1 1 324.385 0.965 20 5 DCBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000356736605 261462719 /nfs/dbraw/zinc/46/27/19/261462719.db2.gz FOCYUGMSNIQUTD-NSHDSACASA-N 1 1 310.354 0.601 20 5 DCBDMO COc1ccc(NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000358488754 261673321 /nfs/dbraw/zinc/67/33/21/261673321.db2.gz XJCWJAHTCRUMFD-CQSZACIVSA-N 1 1 324.337 0.792 20 5 DCBDMO C[C@@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000361904000 261975597 /nfs/dbraw/zinc/97/55/97/261975597.db2.gz YVISPFAVQLJPEJ-JTQLQIEISA-N 1 1 324.337 0.394 20 5 DCBDMO C[C@@H](O)C[N@@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411742577 262175818 /nfs/dbraw/zinc/17/58/18/262175818.db2.gz DXGNTFNJFNTTPI-LLVKDONJSA-N 1 1 311.338 0.599 20 5 DCBDMO COC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@H+](C)C1 ZINC000413899391 262226087 /nfs/dbraw/zinc/22/60/87/262226087.db2.gz CVCRIKLMERRNFH-SECBINFHSA-N 1 1 310.310 0.100 20 5 DCBDMO COC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@@H+](C)C1 ZINC000413899391 262226088 /nfs/dbraw/zinc/22/60/88/262226088.db2.gz CVCRIKLMERRNFH-SECBINFHSA-N 1 1 310.310 0.100 20 5 DCBDMO C[C@@H]1CC[C@H]([N@@H+](CCO)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000429761202 271458979 /nfs/dbraw/zinc/45/89/79/271458979.db2.gz DBLQDBIIRKTCRY-DYEKYZERSA-N 1 1 312.370 0.635 20 5 DCBDMO CO[C@@H]1COC[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000459823978 272012937 /nfs/dbraw/zinc/01/29/37/272012937.db2.gz JEURQJPYERLCNC-GXTWGEPZSA-N 1 1 321.333 0.487 20 5 DCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491797885 272104941 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324.366 0.490 20 5 DCBDMO CC(C)c1[nH+]ccn1CCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000744395491 667826328 /nfs/dbraw/zinc/82/63/28/667826328.db2.gz BEOLDOKOKHJAAB-UHFFFAOYSA-N 1 1 306.326 0.928 20 5 DCBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H](C)C1 ZINC000839683002 668133972 /nfs/dbraw/zinc/13/39/72/668133972.db2.gz JMOQLTFDVOXMFK-YIYPIFLZSA-N 1 1 313.398 0.905 20 5 DCBDMO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H](C)C1 ZINC000839683002 668133974 /nfs/dbraw/zinc/13/39/74/668133974.db2.gz JMOQLTFDVOXMFK-YIYPIFLZSA-N 1 1 313.398 0.905 20 5 DCBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H](C)C1 ZINC000839683002 668133977 /nfs/dbraw/zinc/13/39/77/668133977.db2.gz JMOQLTFDVOXMFK-YIYPIFLZSA-N 1 1 313.398 0.905 20 5 DCBDMO COC(=O)[C@]12C[N@@H+](Cc3cn(C)nc3[N+](=O)[O-])C[C@H]1COCC2 ZINC000877492560 668623430 /nfs/dbraw/zinc/62/34/30/668623430.db2.gz ZWWPGDNWOIGHJH-SMDDNHRTSA-N 1 1 324.337 0.340 20 5 DCBDMO 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Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC001653197480 1173783059 /nfs/dbraw/zinc/78/30/59/1173783059.db2.gz CRZBMDWSHIEEJO-GFCCVEGCSA-N 1 1 322.369 0.636 20 5 DCBDMO CNC(=O)N[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001658177282 1173920862 /nfs/dbraw/zinc/92/08/62/1173920862.db2.gz XADXWKBIHJDISA-AAEUAGOBSA-N 1 1 308.338 0.632 20 5 DCBDMO CNC(=O)N[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001658177282 1173920868 /nfs/dbraw/zinc/92/08/68/1173920868.db2.gz XADXWKBIHJDISA-AAEUAGOBSA-N 1 1 308.338 0.632 20 5 DCBDMO CNC(=O)N[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001658177285 1173921006 /nfs/dbraw/zinc/92/10/06/1173921006.db2.gz XADXWKBIHJDISA-YPMHNXCESA-N 1 1 308.338 0.632 20 5 DCBDMO CNC(=O)N[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001658177285 1173921011 /nfs/dbraw/zinc/92/10/11/1173921011.db2.gz XADXWKBIHJDISA-YPMHNXCESA-N 1 1 308.338 0.632 20 5 DCBDMO Cn1cc([C@@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)nn1 ZINC001660592101 1174017266 /nfs/dbraw/zinc/01/72/66/1174017266.db2.gz QAQJNPLHQBJGPG-LLVKDONJSA-N 1 1 305.342 0.799 20 5 DCBDMO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001665167569 1174487550 /nfs/dbraw/zinc/48/75/50/1174487550.db2.gz FWIWXQXXALURBD-GHMZBOCLSA-N 1 1 312.322 0.891 20 5 DCBDMO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001665167569 1174487553 /nfs/dbraw/zinc/48/75/53/1174487553.db2.gz FWIWXQXXALURBD-GHMZBOCLSA-N 1 1 312.322 0.891 20 5 DCBDMO COc1ccnc(C[N@@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001689801540 1177056959 /nfs/dbraw/zinc/05/69/59/1177056959.db2.gz QXFKVPPVTIWVGF-ZIAGYGMSSA-N 1 1 322.365 0.694 20 5 DCBDMO COc1ccnc(C[N@H+](C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001689801540 1177056965 /nfs/dbraw/zinc/05/69/65/1177056965.db2.gz QXFKVPPVTIWVGF-ZIAGYGMSSA-N 1 1 322.365 0.694 20 5 DCBDMO COc1ccnc(C[N@@H+](C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001689801540 1177056973 /nfs/dbraw/zinc/05/69/73/1177056973.db2.gz QXFKVPPVTIWVGF-ZIAGYGMSSA-N 1 1 322.365 0.694 20 5 DCBDMO CN(CCN1CC[NH+](CC2CCC2)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001691933877 1177387144 /nfs/dbraw/zinc/38/71/44/1177387144.db2.gz VMUMOXWZRVASRR-HUUCEWRRSA-N 1 1 324.425 0.528 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C/C=C\CNC(=O)CC1CC1 ZINC001699226665 1177956124 /nfs/dbraw/zinc/95/61/24/1177956124.db2.gz QAWTUQPXMDBVAW-IHWYPQMZSA-N 1 1 307.354 0.890 20 5 DCBDMO COc1ccc(C[N@@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001707375059 1180464487 /nfs/dbraw/zinc/46/44/87/1180464487.db2.gz DPDHRQHBIKHUCE-CHWSQXEVSA-N 1 1 322.365 0.694 20 5 DCBDMO COc1ccc(C[N@H+](C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001707375059 1180464491 /nfs/dbraw/zinc/46/44/91/1180464491.db2.gz DPDHRQHBIKHUCE-CHWSQXEVSA-N 1 1 322.365 0.694 20 5 DCBDMO COc1ccc(C[N@@H+](C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001707375059 1180464494 /nfs/dbraw/zinc/46/44/94/1180464494.db2.gz DPDHRQHBIKHUCE-CHWSQXEVSA-N 1 1 322.365 0.694 20 5 DCBDMO Cc1nn(C)cc1C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001751975162 1188370278 /nfs/dbraw/zinc/37/02/78/1188370278.db2.gz RDCUPWLTOJPKHH-CHWSQXEVSA-N 1 1 309.370 0.332 20 5 DCBDMO Cc1nn(C)cc1C[N@H+](C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001751975162 1188370282 /nfs/dbraw/zinc/37/02/82/1188370282.db2.gz RDCUPWLTOJPKHH-CHWSQXEVSA-N 1 1 309.370 0.332 20 5 DCBDMO Cc1nn(C)cc1C[N@@H+](C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001751975162 1188370286 /nfs/dbraw/zinc/37/02/86/1188370286.db2.gz RDCUPWLTOJPKHH-CHWSQXEVSA-N 1 1 309.370 0.332 20 5 DCBDMO Cn1nccc1CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC001753154362 1188516934 /nfs/dbraw/zinc/51/69/34/1188516934.db2.gz FRELBJXRTOARKJ-ZIAGYGMSSA-N 1 1 321.381 0.208 20 5 DCBDMO Cn1nccc1CC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001753154362 1188516938 /nfs/dbraw/zinc/51/69/38/1188516938.db2.gz FRELBJXRTOARKJ-ZIAGYGMSSA-N 1 1 321.381 0.208 20 5 DCBDMO Cn1nccc1CC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001753154362 1188516941 /nfs/dbraw/zinc/51/69/41/1188516941.db2.gz FRELBJXRTOARKJ-ZIAGYGMSSA-N 1 1 321.381 0.208 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C/C=C\CNC(=O)c1cc[nH]c1 ZINC001754123528 1188750135 /nfs/dbraw/zinc/75/01/35/1188750135.db2.gz HXSVJGYJPMLIQU-IHWYPQMZSA-N 1 1 318.337 0.732 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C/C=C\CNC(=O)c1cnco1 ZINC001754155236 1188762654 /nfs/dbraw/zinc/76/26/54/1188762654.db2.gz OFBBVJPKBAEFLN-IHWYPQMZSA-N 1 1 320.309 0.392 20 5 DCBDMO COc1nc(N2CC[NH+](C[C@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC001165036630 721900889 /nfs/dbraw/zinc/90/08/89/721900889.db2.gz IPWWWGVSMGORNK-LLVKDONJSA-N 1 1 323.353 0.694 20 5 DCBDMO Cc1c(-n2cnc(C[NH3+])cc2=N)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001167358069 747130109 /nfs/dbraw/zinc/13/01/09/747130109.db2.gz JOOVXZUZVPJPPJ-UHFFFAOYSA-N 1 1 304.266 0.935 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1ccc(F)cn1 ZINC001126066852 748205443 /nfs/dbraw/zinc/20/54/43/748205443.db2.gz OERIZNVGOYGBJY-UHFFFAOYSA-N 1 1 322.300 0.382 20 5 DCBDMO Cc1cc[nH]c1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001126519841 748928348 /nfs/dbraw/zinc/92/83/48/748928348.db2.gz ZYKCJMJMDVPFHL-UHFFFAOYSA-N 1 1 306.326 0.484 20 5 DCBDMO O=C(NCC[NH2+]Cc1cccc2c1OCCO2)[C@@H]1CC1[N+](=O)[O-] ZINC001126938486 750151922 /nfs/dbraw/zinc/15/19/22/750151922.db2.gz BEVFFYVQROKFLR-VXGBXAGGSA-N 1 1 321.333 0.329 20 5 DCBDMO O=C(Cn1ccc([N+](=O)[O-])n1)OC[C@H]1CC[N@H+]1C1CCOCC1 ZINC001123249065 767953583 /nfs/dbraw/zinc/95/35/83/767953583.db2.gz XAJVJRLKMNBEFM-GFCCVEGCSA-N 1 1 324.337 0.588 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)C1(C2CC2)CC1 ZINC001130020154 763085345 /nfs/dbraw/zinc/08/53/45/763085345.db2.gz SKNGJQLPDKPMCA-UHFFFAOYSA-N 1 1 307.354 0.724 20 5 DCBDMO Cc1cc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)c(C)[nH]1 ZINC001134423550 765513552 /nfs/dbraw/zinc/51/35/52/765513552.db2.gz LBUYOIGZSJQAGR-UHFFFAOYSA-N 1 1 320.353 0.793 20 5 DCBDMO C[NH+]1CCN(CC2CN(C(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 ZINC001117737366 766136781 /nfs/dbraw/zinc/13/67/81/766136781.db2.gz LQGIFHPLDIJSJW-UHFFFAOYSA-N 1 1 308.338 0.507 20 5 DCBDMO COc1nc(SC)nc(N[C@@H](N)CCC[NH3+])c1[N+](=O)[O-] ZINC001170899117 766249959 /nfs/dbraw/zinc/24/99/59/766249959.db2.gz RYIZDWHDNZDBBP-ZCFIWIBFSA-N 1 1 302.360 0.551 20 5 DCBDMO Cc1nn(C)c(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC001120071350 766894311 /nfs/dbraw/zinc/89/43/11/766894311.db2.gz SQKVQBIKQDDWGF-NWDGAFQWSA-N 1 1 309.370 0.672 20 5 DCBDMO NS(=O)(=O)C[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001176698988 770156601 /nfs/dbraw/zinc/15/66/01/770156601.db2.gz DRXRWCURQZEAEE-VIFPVBQESA-N 1 1 317.342 0.844 20 5 DCBDMO NS(=O)(=O)C[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001176698988 770156602 /nfs/dbraw/zinc/15/66/02/770156602.db2.gz DRXRWCURQZEAEE-VIFPVBQESA-N 1 1 317.342 0.844 20 5 DCBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)[C@H](C)C1 ZINC001155147010 770413141 /nfs/dbraw/zinc/41/31/41/770413141.db2.gz XUZIRNJSFGBBMQ-MNOVXSKESA-N 1 1 322.365 0.704 20 5 DCBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)[C@H](C)C1 ZINC001155147010 770413142 /nfs/dbraw/zinc/41/31/42/770413142.db2.gz XUZIRNJSFGBBMQ-MNOVXSKESA-N 1 1 322.365 0.704 20 5 DCBDMO O=[N+]([O-])c1cnc(N[C@H]2CN3CCC2CC3)nc1C1C[NH2+]C1 ZINC001155669746 770584705 /nfs/dbraw/zinc/58/47/05/770584705.db2.gz UPPMVZVZTFHDPK-NSHDSACASA-N 1 1 304.354 0.578 20 5 DCBDMO C[NH+](C)/C=C/c1cc(-n2cnc(CN)cc2=N)ncc1[N+](=O)[O-] ZINC001156623237 770876004 /nfs/dbraw/zinc/87/60/04/770876004.db2.gz CHJXWSZEBGAVHY-CUQIWSDWSA-N 1 1 315.337 0.646 20 5 DCBDMO CNC(=O)C[NH+]1CCC(Nc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC001161136353 772173047 /nfs/dbraw/zinc/17/30/47/772173047.db2.gz ZQPQOFGDHZYSFO-UHFFFAOYSA-N 1 1 311.317 0.751 20 5 DCBDMO C[NH+](C)/C=C/c1cc(N2CCCNC(=O)C2)ncc1[N+](=O)[O-] ZINC001164279361 772636249 /nfs/dbraw/zinc/63/62/49/772636249.db2.gz KIVSOSGRJNLKRL-QPJJXVBHSA-N 1 1 305.338 0.848 20 5 DCBDMO Nc1nc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)ncc1[N+](=O)[O-] ZINC001164303007 772642367 /nfs/dbraw/zinc/64/23/67/772642367.db2.gz NCBNISDBLYUZIE-ZJUUUORDSA-N 1 1 308.342 0.002 20 5 DCBDMO O=C(C[N@H+]1C[C@H](CCO)[C@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC001198752869 773974948 /nfs/dbraw/zinc/97/49/48/773974948.db2.gz NNQJBAIZCSUNDE-RYUDHWBXSA-N 1 1 323.349 0.456 20 5 DCBDMO O=C(C[N@@H+]1C[C@H](CCO)[C@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC001198752869 773974953 /nfs/dbraw/zinc/97/49/53/773974953.db2.gz NNQJBAIZCSUNDE-RYUDHWBXSA-N 1 1 323.349 0.456 20 5 DCBDMO CC(C)OCC[NH+]1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001223114176 775465601 /nfs/dbraw/zinc/46/56/01/775465601.db2.gz JTDINQKAVIBVJC-ZIAGYGMSSA-N 1 1 313.398 0.905 20 5 DCBDMO C[N+](C)(C)C[C@H](O)CC(=O)Oc1[nH]c(=O)nc2ccc(F)cc21 ZINC001226408566 775812989 /nfs/dbraw/zinc/81/29/89/775812989.db2.gz LDQODMLSFLCTAA-SNVBAGLBSA-O 1 1 324.332 0.837 20 5 DCBDMO COc1ccc(C[C@@H](C)NC[C@@H]2C[NH2+]CCN2)c([N+](=O)[O-])c1 ZINC001246488280 945419661 /nfs/dbraw/zinc/41/96/61/945419661.db2.gz JLDSDOGKKCPDJI-YPMHNXCESA-N 1 1 308.382 0.685 20 5 DCBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)NCC[NH+]2CC=CC2)c1 ZINC001319523953 945610190 /nfs/dbraw/zinc/61/01/90/945610190.db2.gz QYTSDVWFLUCJJP-UHFFFAOYSA-N 1 1 311.363 0.886 20 5 DCBDMO C[N@@H+](C[C@H](O)CO)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254475470 946400737 /nfs/dbraw/zinc/40/07/37/946400737.db2.gz RLWKXEIEZHEFQD-HNNXBMFYSA-N 1 1 309.366 0.849 20 5 DCBDMO COC(=O)[C@@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCN1C ZINC001254608344 946416017 /nfs/dbraw/zinc/41/60/17/946416017.db2.gz QUXWDJAETRMYGZ-CABCVRRESA-N 1 1 319.361 0.851 20 5 DCBDMO COC(=O)[C@@H]1C[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCN1C ZINC001254608344 946416025 /nfs/dbraw/zinc/41/60/25/946416025.db2.gz QUXWDJAETRMYGZ-CABCVRRESA-N 1 1 319.361 0.851 20 5 DCBDMO CC(C)(CCC(=O)NC[C@@H]1CCC[N@H+]1CCCO)[N+](=O)[O-] ZINC001324523870 947447151 /nfs/dbraw/zinc/44/71/51/947447151.db2.gz OZVNJDCGHZXIHQ-LBPRGKRZSA-N 1 1 301.387 0.785 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001328843457 949132193 /nfs/dbraw/zinc/13/21/93/949132193.db2.gz LLFHELAYLGWJCH-NSHDSACASA-N 1 1 309.322 0.859 20 5 DCBDMO C[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC001335397373 952532020 /nfs/dbraw/zinc/53/20/20/952532020.db2.gz GGDNJKPEGKCWTA-RCBQFDQVSA-N 1 1 322.409 0.852 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@H]2C1 ZINC001339316633 953087216 /nfs/dbraw/zinc/08/72/16/953087216.db2.gz IXAPHPAWJWFWHN-DRZSPHRISA-N 1 1 320.349 0.213 20 5 DCBDMO O=C(Cn1cnc([N+](=O)[O-])n1)NCc1c[nH+]c2n1CCCC2 ZINC001345354235 953644985 /nfs/dbraw/zinc/64/49/85/953644985.db2.gz JHOUUHGVVYQXRK-UHFFFAOYSA-N 1 1 305.298 0.036 20 5 DCBDMO C[C@H](c1nnc(N2CC[NH+]([C@H]3CCOC3)CC2)n1C)[N+](=O)[O-] ZINC001355415608 956645271 /nfs/dbraw/zinc/64/52/71/956645271.db2.gz KOHHEZDDRCPRDN-MNOVXSKESA-N 1 1 310.358 0.064 20 5 DCBDMO COc1ccc(NC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)cc1[N+](=O)[O-] ZINC001466329132 1016068998 /nfs/dbraw/zinc/06/89/98/1016068998.db2.gz JCWLBOJXKBETOU-YGRLFVJLSA-N 1 1 309.322 0.997 20 5 DCBDMO COc1ccc(NC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)cc1[N+](=O)[O-] ZINC001466329132 1016069007 /nfs/dbraw/zinc/06/90/07/1016069007.db2.gz JCWLBOJXKBETOU-YGRLFVJLSA-N 1 1 309.322 0.997 20 5 DCBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001471641578 1016615113 /nfs/dbraw/zinc/61/51/13/1016615113.db2.gz LKQWXRUEODDHMH-WCQYABFASA-N 1 1 321.333 0.582 20 5 DCBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001471641578 1016615118 /nfs/dbraw/zinc/61/51/18/1016615118.db2.gz LKQWXRUEODDHMH-WCQYABFASA-N 1 1 321.333 0.582 20 5 DCBDMO C[N@@H+](CCO)CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001471868287 1016679262 /nfs/dbraw/zinc/67/92/62/1016679262.db2.gz WLZYQQINXKQMTC-UHFFFAOYSA-N 1 1 318.333 0.797 20 5 DCBDMO Nc1ncc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC001443765590 1010641207 /nfs/dbraw/zinc/64/12/07/1010641207.db2.gz DQZOPTVZXQWAOG-NSHDSACASA-N 1 1 305.338 0.786 20 5 DCBDMO CC[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001457415425 1011706404 /nfs/dbraw/zinc/70/64/04/1011706404.db2.gz QFINPCRJUSMHHM-NSHDSACASA-N 1 1 308.338 0.309 20 5 DCBDMO C[N@@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)[C@H](CO)C1 ZINC001557710849 1012293506 /nfs/dbraw/zinc/29/35/06/1012293506.db2.gz HKGUFGMYCQQQQO-NSHDSACASA-N 1 1 318.333 0.825 20 5 DCBDMO C[N@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)[C@H](CO)C1 ZINC001557710849 1012293516 /nfs/dbraw/zinc/29/35/16/1012293516.db2.gz HKGUFGMYCQQQQO-NSHDSACASA-N 1 1 318.333 0.825 20 5 DCBDMO C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](CO)C1 ZINC001560011806 1012436858 /nfs/dbraw/zinc/43/68/58/1012436858.db2.gz OCRAPDZGVGMRAO-LBPRGKRZSA-N 1 1 310.310 0.611 20 5 DCBDMO C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](CO)C1 ZINC001560011806 1012436866 /nfs/dbraw/zinc/43/68/66/1012436866.db2.gz OCRAPDZGVGMRAO-LBPRGKRZSA-N 1 1 310.310 0.611 20 5 DCBDMO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cccnc3[N+](=O)[O-])C[C@@H]21 ZINC001561584154 1012472715 /nfs/dbraw/zinc/47/27/15/1012472715.db2.gz NGEVNDJYXSKGSW-ZJUUUORDSA-N 1 1 312.351 0.314 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3cccnc3[N+](=O)[O-])C[C@@H]21 ZINC001561584154 1012472724 /nfs/dbraw/zinc/47/27/24/1012472724.db2.gz NGEVNDJYXSKGSW-ZJUUUORDSA-N 1 1 312.351 0.314 20 5 DCBDMO Cn1ccnc1[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)(C)CO ZINC001460316412 1012889457 /nfs/dbraw/zinc/88/94/57/1012889457.db2.gz OFGZINCABFQCLK-LBPRGKRZSA-N 1 1 322.369 0.874 20 5 DCBDMO C[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC001475756623 1017153138 /nfs/dbraw/zinc/15/31/38/1017153138.db2.gz XVKXNVNLJDCFSV-SNVBAGLBSA-N 1 1 314.367 0.752 20 5 DCBDMO C[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC001475756623 1017153147 /nfs/dbraw/zinc/15/31/47/1017153147.db2.gz XVKXNVNLJDCFSV-SNVBAGLBSA-N 1 1 314.367 0.752 20 5 DCBDMO Cn1cc(CC[N@H+](C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001479771255 1017729788 /nfs/dbraw/zinc/72/97/88/1017729788.db2.gz XBPQCRPVBXOLRR-CHWSQXEVSA-N 1 1 309.370 0.066 20 5 DCBDMO Cn1cc(CC[N@@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001479771255 1017729777 /nfs/dbraw/zinc/72/97/77/1017729777.db2.gz XBPQCRPVBXOLRR-CHWSQXEVSA-N 1 1 309.370 0.066 20 5 DCBDMO Cn1cc(CC[N@@H+](C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001479771255 1017729793 /nfs/dbraw/zinc/72/97/93/1017729793.db2.gz XBPQCRPVBXOLRR-CHWSQXEVSA-N 1 1 309.370 0.066 20 5 DCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000317055829 530071290 /nfs/dbraw/zinc/07/12/90/530071290.db2.gz UODVFRSDKARCEQ-SNVBAGLBSA-N 1 1 307.354 0.153 20 5 DCBDMO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCNC(=O)C2)cc1[N+](=O)[O-] ZINC000181840087 199359780 /nfs/dbraw/zinc/35/97/80/199359780.db2.gz KUMRSRGINRTBSW-LLVKDONJSA-N 1 1 320.349 0.512 20 5 DCBDMO C[N@@H+](CCCn1ccnc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000181064989 199246911 /nfs/dbraw/zinc/24/69/11/199246911.db2.gz IZGBFNJSQBPTKQ-UHFFFAOYSA-N 1 1 305.338 0.975 20 5 DCBDMO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000264750762 204126753 /nfs/dbraw/zinc/12/67/53/204126753.db2.gz MDLVSZSIGFHTEA-LLVKDONJSA-N 1 1 310.329 0.710 20 5 DCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000264750762 204126758 /nfs/dbraw/zinc/12/67/58/204126758.db2.gz MDLVSZSIGFHTEA-LLVKDONJSA-N 1 1 310.329 0.710 20 5 DCBDMO CN1CC[N@@H+](C)C[C@H]1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000264830072 204189289 /nfs/dbraw/zinc/18/92/89/204189289.db2.gz ZJFOKCDKIXQUBH-LLVKDONJSA-N 1 1 307.354 0.351 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[NH+]1CCC1 ZINC000337494010 252862736 /nfs/dbraw/zinc/86/27/36/252862736.db2.gz HEYCIUYBCDLVAE-UHFFFAOYSA-N 1 1 322.321 0.364 20 5 DCBDMO C[N@H+]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000272962858 210348525 /nfs/dbraw/zinc/34/85/25/210348525.db2.gz STLJFVHCVAGOOM-ZDUSSCGKSA-N 1 1 309.366 0.972 20 5 DCBDMO CN1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000272962858 210348530 /nfs/dbraw/zinc/34/85/30/210348530.db2.gz STLJFVHCVAGOOM-ZDUSSCGKSA-N 1 1 309.366 0.972 20 5 DCBDMO CN1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000272962858 210348533 /nfs/dbraw/zinc/34/85/33/210348533.db2.gz STLJFVHCVAGOOM-ZDUSSCGKSA-N 1 1 309.366 0.972 20 5 DCBDMO COC(=O)[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1C ZINC000346691005 254083845 /nfs/dbraw/zinc/08/38/45/254083845.db2.gz VJEBNONXMMGZNV-CMPLNLGQSA-N 1 1 309.322 0.640 20 5 DCBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000347102350 254130084 /nfs/dbraw/zinc/13/00/84/254130084.db2.gz QQMAKJWSGKTZNE-SECBINFHSA-N 1 1 306.326 0.899 20 5 DCBDMO Cn1c[nH+]cc1CCc1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000347113827 254130686 /nfs/dbraw/zinc/13/06/86/254130686.db2.gz NWIDRRCJLCYKCP-UHFFFAOYSA-N 1 1 303.282 0.897 20 5 DCBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000349690934 254293009 /nfs/dbraw/zinc/29/30/09/254293009.db2.gz HAZUMUOZHHGESM-LBPRGKRZSA-N 1 1 323.397 0.689 20 5 DCBDMO Cc1n[nH]c(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000330779647 533666188 /nfs/dbraw/zinc/66/61/88/533666188.db2.gz WJNUPOITDRFUCX-SNVBAGLBSA-N 1 1 324.385 0.240 20 5 DCBDMO C[N@@H+](CCCS(N)(=O)=O)CCc1ccccc1[N+](=O)[O-] ZINC000285174827 131145150 /nfs/dbraw/zinc/14/51/50/131145150.db2.gz BHLDYSRWHOAYDR-UHFFFAOYSA-N 1 1 301.368 0.748 20 5 DCBDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000111265423 395805043 /nfs/dbraw/zinc/80/50/43/395805043.db2.gz HQRPILRAITZRAI-GFCCVEGCSA-N 1 1 320.349 0.652 20 5 DCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1C[N@H+](C)CCO1 ZINC000134989709 395936147 /nfs/dbraw/zinc/93/61/47/395936147.db2.gz OAASGDGIWIAZPE-BXKDBHETSA-N 1 1 308.338 0.626 20 5 DCBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1C[N@@H+](C)CCO1 ZINC000134989709 395936150 /nfs/dbraw/zinc/93/61/50/395936150.db2.gz OAASGDGIWIAZPE-BXKDBHETSA-N 1 1 308.338 0.626 20 5 DCBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000064312893 395985447 /nfs/dbraw/zinc/98/54/47/395985447.db2.gz ZFDMRAQPUQZDNC-GRYCIOLGSA-N 1 1 324.385 0.669 20 5 DCBDMO C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000157909566 396064497 /nfs/dbraw/zinc/06/44/97/396064497.db2.gz LDQVBLUKSLBFOW-SMDDNHRTSA-N 1 1 323.349 0.809 20 5 DCBDMO C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000157909566 396064502 /nfs/dbraw/zinc/06/45/02/396064502.db2.gz LDQVBLUKSLBFOW-SMDDNHRTSA-N 1 1 323.349 0.809 20 5 DCBDMO CNC(=O)c1ccc(NCC[N@@H+](C)CCOC)c([N+](=O)[O-])c1 ZINC000171070395 396105308 /nfs/dbraw/zinc/10/53/08/396105308.db2.gz SVAMRJFLWPIDBU-UHFFFAOYSA-N 1 1 310.354 0.945 20 5 DCBDMO COc1ccc(CNC(=O)[C@H]2[NH2+]CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000261888047 396075787 /nfs/dbraw/zinc/07/57/87/396075787.db2.gz GDHVPBWLRUEXAZ-RNCFNFMXSA-N 1 1 309.322 0.597 20 5 DCBDMO CNC(=O)CC[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000263914493 396242181 /nfs/dbraw/zinc/24/21/81/396242181.db2.gz NMKVLRRIWLNOHU-UHFFFAOYSA-N 1 1 324.337 0.610 20 5 DCBDMO CNC(=O)CC[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000263914493 396242185 /nfs/dbraw/zinc/24/21/85/396242185.db2.gz NMKVLRRIWLNOHU-UHFFFAOYSA-N 1 1 324.337 0.610 20 5 DCBDMO COCC[N@H+]1CC[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000264478441 396283470 /nfs/dbraw/zinc/28/34/70/396283470.db2.gz HKORBMMSLYFOJN-LBPRGKRZSA-N 1 1 323.349 0.811 20 5 DCBDMO COCC[N@H+]1CC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000264609707 396295297 /nfs/dbraw/zinc/29/52/97/396295297.db2.gz ZGGDZPNXSXFXCT-CYBMUJFWSA-N 1 1 307.350 0.974 20 5 DCBDMO CC[N@@H+]1CCO[C@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000081230735 396295566 /nfs/dbraw/zinc/29/55/66/396295566.db2.gz LNSPKDNYBXEHFL-AWEZNQCLSA-N 1 1 322.365 0.844 20 5 DCBDMO CC[N@H+]1CCO[C@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000081230735 396295571 /nfs/dbraw/zinc/29/55/71/396295571.db2.gz LNSPKDNYBXEHFL-AWEZNQCLSA-N 1 1 322.365 0.844 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186637911 396353993 /nfs/dbraw/zinc/35/39/93/396353993.db2.gz BCISEMIOEDKCNR-JTQLQIEISA-N 1 1 322.321 0.224 20 5 DCBDMO CC[N@@H+](CCO)CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000187197535 396365399 /nfs/dbraw/zinc/36/53/99/396365399.db2.gz MKOJQPXUWBVEDR-UHFFFAOYSA-N 1 1 324.381 0.751 20 5 DCBDMO CC(C)([NH2+]CC(=O)N1CCNC(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000292116374 396531435 /nfs/dbraw/zinc/53/14/35/396531435.db2.gz JPWZQFOPYCTBBA-UHFFFAOYSA-N 1 1 320.349 0.378 20 5 DCBDMO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000594965852 396541304 /nfs/dbraw/zinc/54/13/04/396541304.db2.gz LPBQETWSXLTJEO-VXGBXAGGSA-N 1 1 300.336 0.496 20 5 DCBDMO CNC(=O)CC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293229844 396594434 /nfs/dbraw/zinc/59/44/34/396594434.db2.gz SCUSYCWETOLPGF-UHFFFAOYSA-N 1 1 320.349 0.489 20 5 DCBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](N3CCOCC3)CC2)c1 ZINC000595471130 396614210 /nfs/dbraw/zinc/61/42/10/396614210.db2.gz XKOUHUOGYMMJHP-CQSZACIVSA-N 1 1 323.397 0.978 20 5 DCBDMO O=[N+]([O-])c1cnn(CCN2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000595471130 396614212 /nfs/dbraw/zinc/61/42/12/396614212.db2.gz XKOUHUOGYMMJHP-CQSZACIVSA-N 1 1 323.397 0.978 20 5 DCBDMO C[C@H](O)C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@@H](C)C1 ZINC000596199063 396729905 /nfs/dbraw/zinc/72/99/05/396729905.db2.gz BBKKXFAATUINMS-QWRGUYRKSA-N 1 1 322.365 0.585 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000600315872 396797038 /nfs/dbraw/zinc/79/70/38/396797038.db2.gz WILIILXLJPJVKY-LBPRGKRZSA-N 1 1 309.370 0.948 20 5 DCBDMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000590386447 396768967 /nfs/dbraw/zinc/76/89/67/396768967.db2.gz ABWDNLWWVNRFIG-JTQLQIEISA-N 1 1 323.353 0.643 20 5 DCBDMO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+]2CCN1CCC2 ZINC000611200840 396833849 /nfs/dbraw/zinc/83/38/49/396833849.db2.gz DOQRTNCRRIMROD-AWEZNQCLSA-N 1 1 304.350 0.601 20 5 DCBDMO NC(=O)C[C@@H]1COCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000590765559 396837432 /nfs/dbraw/zinc/83/74/32/396837432.db2.gz ZYERPWLJINAXMF-CYBMUJFWSA-N 1 1 323.349 0.940 20 5 DCBDMO NC(=O)C[C@@H]1COCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000590765559 396837442 /nfs/dbraw/zinc/83/74/42/396837442.db2.gz ZYERPWLJINAXMF-CYBMUJFWSA-N 1 1 323.349 0.940 20 5 DCBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CC[C@@H](O)C2)c1 ZINC000600533182 396885490 /nfs/dbraw/zinc/88/54/90/396885490.db2.gz KMCAQPPGOOFSEF-SNVBAGLBSA-N 1 1 309.322 0.400 20 5 DCBDMO COc1ccc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000600544851 396887217 /nfs/dbraw/zinc/88/72/17/396887217.db2.gz GFNFVRFEHILPPS-LLVKDONJSA-N 1 1 309.322 0.400 20 5 DCBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000377513306 397090788 /nfs/dbraw/zinc/09/07/88/397090788.db2.gz SQIKYGKILWRKIV-DGCLKSJQSA-N 1 1 323.353 0.161 20 5 DCBDMO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000592206052 397126981 /nfs/dbraw/zinc/12/69/81/397126981.db2.gz LMPWTVNEGSLPST-YPMHNXCESA-N 1 1 324.333 0.959 20 5 DCBDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000592206052 397126983 /nfs/dbraw/zinc/12/69/83/397126983.db2.gz LMPWTVNEGSLPST-YPMHNXCESA-N 1 1 324.333 0.959 20 5 DCBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000597925517 397131167 /nfs/dbraw/zinc/13/11/67/397131167.db2.gz WJWTYCAJEYMEAK-LLVKDONJSA-N 1 1 322.365 0.746 20 5 DCBDMO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000592196467 397121268 /nfs/dbraw/zinc/12/12/68/397121268.db2.gz BSMNNDULHBKWCT-NEPJUHHUSA-N 1 1 324.333 0.959 20 5 DCBDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000592196467 397121277 /nfs/dbraw/zinc/12/12/77/397121277.db2.gz BSMNNDULHBKWCT-NEPJUHHUSA-N 1 1 324.333 0.959 20 5 DCBDMO C[N@H+]1CC[C@@H](CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598593855 397254200 /nfs/dbraw/zinc/25/42/00/397254200.db2.gz XNMHMJXOBXAQEU-NSHDSACASA-N 1 1 322.369 0.585 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000614418971 397434747 /nfs/dbraw/zinc/43/47/47/397434747.db2.gz MSKXPMNCBHGSDF-LLVKDONJSA-N 1 1 304.310 0.295 20 5 DCBDMO CN1C[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1=O ZINC000608861128 397758554 /nfs/dbraw/zinc/75/85/54/397758554.db2.gz VCYHTGXDVQFSRB-SNVBAGLBSA-N 1 1 307.306 0.686 20 5 DCBDMO COc1ccc(S(=O)(=O)N2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000088059690 158093358 /nfs/dbraw/zinc/09/33/58/158093358.db2.gz NIWPQGPSJXXTOP-VIFPVBQESA-N 1 1 315.351 0.586 20 5 DCBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000323071826 159012850 /nfs/dbraw/zinc/01/28/50/159012850.db2.gz ONDBGLYCFMFMQU-MWLCHTKSSA-N 1 1 321.337 0.165 20 5 DCBDMO C[C@@H]1[C@H](C)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1C ZINC000356876022 159254857 /nfs/dbraw/zinc/25/48/57/159254857.db2.gz LOJMMQLLGSOTLQ-MNOVXSKESA-N 1 1 308.338 0.308 20 5 DCBDMO C[N@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C2(CCCCC2)C1 ZINC000408358450 160091319 /nfs/dbraw/zinc/09/13/19/160091319.db2.gz GEJPBHDJWIBUGP-UHFFFAOYSA-N 1 1 322.369 0.663 20 5 DCBDMO C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C1=CC[N@@H+](C)CC1 ZINC000273052234 415305551 /nfs/dbraw/zinc/30/55/51/415305551.db2.gz XLEULOHQLKNJJM-NSHDSACASA-N 1 1 307.354 0.948 20 5 DCBDMO NC(=O)c1cccc(N2CC[N@@H+]3CCOC[C@H]3C2)c1[N+](=O)[O-] ZINC000342833264 415308830 /nfs/dbraw/zinc/30/88/30/415308830.db2.gz XZCNJZDJBRHOAJ-SNVBAGLBSA-N 1 1 306.322 0.215 20 5 DCBDMO NC(=O)c1cccc(N2CC[N@H+]3CCOC[C@H]3C2)c1[N+](=O)[O-] ZINC000342833264 415308836 /nfs/dbraw/zinc/30/88/36/415308836.db2.gz XZCNJZDJBRHOAJ-SNVBAGLBSA-N 1 1 306.322 0.215 20 5 DCBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1COC[C@H]1O ZINC000352797181 415324766 /nfs/dbraw/zinc/32/47/66/415324766.db2.gz IBPRVJPRGBAGRX-QWHCGFSZSA-N 1 1 309.322 0.615 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278819148 415491044 /nfs/dbraw/zinc/49/10/44/415491044.db2.gz POQJCPVOJAKMRN-BETUJISGSA-N 1 1 309.322 0.269 20 5 DCBDMO C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CCC(N)=O ZINC000353220155 415479247 /nfs/dbraw/zinc/47/92/47/415479247.db2.gz YKIHBZZQVPEGIN-UHFFFAOYSA-N 1 1 322.321 0.700 20 5 DCBDMO C[C@@H](O)C[N@@H+](CCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000289931065 415739555 /nfs/dbraw/zinc/73/95/55/415739555.db2.gz UVGOGMQIQBAONI-YPMHNXCESA-N 1 1 314.338 0.010 20 5 DCBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000344371095 415899962 /nfs/dbraw/zinc/89/99/62/415899962.db2.gz FKHSKLYBNYCDAP-SECBINFHSA-N 1 1 307.314 0.144 20 5 DCBDMO CCC[N@@H+](CC(=O)OC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173549431 416060186 /nfs/dbraw/zinc/06/01/86/416060186.db2.gz WWQGDTWLBABATR-LLVKDONJSA-N 1 1 300.315 0.037 20 5 DCBDMO CCC[N@H+](CC(=O)OC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173549431 416060189 /nfs/dbraw/zinc/06/01/89/416060189.db2.gz WWQGDTWLBABATR-LLVKDONJSA-N 1 1 300.315 0.037 20 5 DCBDMO C[C@@H](O)C[N@@H+](CCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298509297 416011793 /nfs/dbraw/zinc/01/17/93/416011793.db2.gz KNRSOHYMEWYXAX-LLVKDONJSA-N 1 1 311.338 0.599 20 5 DCBDMO CNC(=O)CC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000170783655 416032256 /nfs/dbraw/zinc/03/22/56/416032256.db2.gz LSWOBNMONUCXKJ-UHFFFAOYSA-N 1 1 308.338 0.910 20 5 DCBDMO CNC(=O)CC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000170783655 416032259 /nfs/dbraw/zinc/03/22/59/416032259.db2.gz LSWOBNMONUCXKJ-UHFFFAOYSA-N 1 1 308.338 0.910 20 5 DCBDMO C[C@@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[NH+](C)C ZINC000313670567 416109374 /nfs/dbraw/zinc/10/93/74/416109374.db2.gz NHKKFDZECYTROP-QMMMGPOBSA-N 1 1 305.331 0.962 20 5 DCBDMO CCN1CC[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000345730391 416140911 /nfs/dbraw/zinc/14/09/11/416140911.db2.gz XQHONWDDSGPKPV-UHFFFAOYSA-N 1 1 323.397 0.691 20 5 DCBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000330674388 416228906 /nfs/dbraw/zinc/22/89/06/416228906.db2.gz GHESETBDSQNQGN-UHFFFAOYSA-N 1 1 323.353 0.205 20 5 DCBDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331295266 416305314 /nfs/dbraw/zinc/30/53/14/416305314.db2.gz SJNHHSNFBGFALP-UVLXDEKHSA-N 1 1 312.370 0.634 20 5 DCBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000331467850 416317327 /nfs/dbraw/zinc/31/73/27/416317327.db2.gz HTOFUTBTIDQAJV-PELKAZGASA-N 1 1 305.338 0.785 20 5 DCBDMO Cc1c(NC(=O)C(=O)NCC(F)(F)C[NH3+])cccc1[N+](=O)[O-] ZINC000415619257 416349669 /nfs/dbraw/zinc/34/96/69/416349669.db2.gz YKGZKQCYLWFLJP-UHFFFAOYSA-N 1 1 316.264 0.552 20 5 DCBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000362069944 416554519 /nfs/dbraw/zinc/55/45/19/416554519.db2.gz VLBLBKMWCPGFSO-JHJVBQTASA-N 1 1 310.350 0.895 20 5 DCBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000362073068 416555597 /nfs/dbraw/zinc/55/55/97/416555597.db2.gz TWYBHKCLTHIXSF-BZPMIXESSA-N 1 1 310.350 0.895 20 5 DCBDMO COCC[N@@H+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@H]1C ZINC000439160672 416608603 /nfs/dbraw/zinc/60/86/03/416608603.db2.gz MKIOPPZPNCIDDJ-LLVKDONJSA-N 1 1 322.365 0.851 20 5 DCBDMO COCC[N@H+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@H]1C ZINC000439160672 416608605 /nfs/dbraw/zinc/60/86/05/416608605.db2.gz MKIOPPZPNCIDDJ-LLVKDONJSA-N 1 1 322.365 0.851 20 5 DCBDMO CC(C)C[N@H+]1CCO[C@H](CNc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596058382 416576377 /nfs/dbraw/zinc/57/63/77/416576377.db2.gz GKMFEIQHRQKBPR-LLVKDONJSA-N 1 1 309.370 1.341 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000366998377 416638594 /nfs/dbraw/zinc/63/85/94/416638594.db2.gz WIURJIWARUFWDO-SNVBAGLBSA-N 1 1 317.353 1.080 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000366998377 416638597 /nfs/dbraw/zinc/63/85/97/416638597.db2.gz WIURJIWARUFWDO-SNVBAGLBSA-N 1 1 317.353 1.080 20 5 DCBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000426972402 416792094 /nfs/dbraw/zinc/79/20/94/416792094.db2.gz GBEDECAICUGJIV-NSHDSACASA-N 1 1 310.358 0.527 20 5 DCBDMO CNc1c(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cccc1[N+](=O)[O-] ZINC000444382340 416838201 /nfs/dbraw/zinc/83/82/01/416838201.db2.gz FGHPCNAVTFCTSG-LLVKDONJSA-N 1 1 322.365 0.775 20 5 DCBDMO C[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1N1CCOCC1 ZINC000378051483 417073831 /nfs/dbraw/zinc/07/38/31/417073831.db2.gz BNDNZSDOGYKCII-VXGBXAGGSA-N 1 1 309.370 0.481 20 5 DCBDMO C[C@@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1N1CCOCC1 ZINC000378051483 417073839 /nfs/dbraw/zinc/07/38/39/417073839.db2.gz BNDNZSDOGYKCII-VXGBXAGGSA-N 1 1 309.370 0.481 20 5 DCBDMO Cc1nc(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)ncc1[N+](=O)[O-] ZINC000450222665 417211190 /nfs/dbraw/zinc/21/11/90/417211190.db2.gz FMWJEQYRJBZCQE-GFCCVEGCSA-N 1 1 309.370 1.462 20 5 DCBDMO CNc1nccc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000574289431 417480067 /nfs/dbraw/zinc/48/00/67/417480067.db2.gz DGVHOKVODJGYAY-JTQLQIEISA-N 1 1 307.354 1.103 20 5 DCBDMO Cc1c([C@H](C)NCC(=O)N2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000576575618 417618293 /nfs/dbraw/zinc/61/82/93/417618293.db2.gz GYTRPYMBRVODPO-LBPRGKRZSA-N 1 1 306.366 0.986 20 5 DCBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000578949993 417688162 /nfs/dbraw/zinc/68/81/62/417688162.db2.gz PPQQGCBFIGTJPB-GZMMTYOYSA-N 1 1 305.338 0.785 20 5 DCBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000299147172 228963818 /nfs/dbraw/zinc/96/38/18/228963818.db2.gz WOEFGOCWLQIHCT-CHWSQXEVSA-N 1 1 307.354 0.924 20 5 DCBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000299483312 229145582 /nfs/dbraw/zinc/14/55/82/229145582.db2.gz GFZDAPCBICUGMW-OLZOCXBDSA-N 1 1 320.349 0.500 20 5 DCBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000363391783 262113068 /nfs/dbraw/zinc/11/30/68/262113068.db2.gz YZCZBMKBMMQNEX-NSHDSACASA-N 1 1 307.354 0.924 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000367848040 262143039 /nfs/dbraw/zinc/14/30/39/262143039.db2.gz JZOCTBACJWWQCQ-NSHDSACASA-N 1 1 307.354 0.773 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000367848040 262143042 /nfs/dbraw/zinc/14/30/42/262143042.db2.gz JZOCTBACJWWQCQ-NSHDSACASA-N 1 1 307.354 0.773 20 5 DCBDMO COC(=O)[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000413899385 262226034 /nfs/dbraw/zinc/22/60/34/262226034.db2.gz CUPGUJMGXMKRAG-GFCCVEGCSA-N 1 1 321.333 0.772 20 5 DCBDMO COC(=O)[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000413899385 262226036 /nfs/dbraw/zinc/22/60/36/262226036.db2.gz CUPGUJMGXMKRAG-GFCCVEGCSA-N 1 1 321.333 0.772 20 5 DCBDMO CO[C@@H]1COC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000459755573 272007993 /nfs/dbraw/zinc/00/79/93/272007993.db2.gz MLERXDDRERESQD-QWHCGFSZSA-N 1 1 310.306 0.965 20 5 DCBDMO CNC(=O)c1ccc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000153154282 277259490 /nfs/dbraw/zinc/25/94/90/277259490.db2.gz FMFXIHFFJDCXIH-UONOGXRCSA-N 1 1 320.349 0.474 20 5 DCBDMO C[C@H](CO)[N@H+]1CCCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000343206613 279360380 /nfs/dbraw/zinc/36/03/80/279360380.db2.gz OEMZBYYOPYDWLG-LLVKDONJSA-N 1 1 322.365 0.587 20 5 DCBDMO C[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)S(C)(=O)=O ZINC000564320116 288735677 /nfs/dbraw/zinc/73/56/77/288735677.db2.gz WETKHJUHZCKAFY-MRVPVSSYSA-N 1 1 312.351 0.994 20 5 DCBDMO C[C@@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC000330777965 534308718 /nfs/dbraw/zinc/30/87/18/534308718.db2.gz AZIJZOOWEFJGMV-PHIMTYICSA-N 1 1 308.338 0.308 20 5 DCBDMO C[C@@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1C ZINC000330777965 534308720 /nfs/dbraw/zinc/30/87/20/534308720.db2.gz AZIJZOOWEFJGMV-PHIMTYICSA-N 1 1 308.338 0.308 20 5 DCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNc2ncc([N+](=O)[O-])cn2)C1 ZINC000302137028 534449471 /nfs/dbraw/zinc/44/94/71/534449471.db2.gz BRFGOZOIENPFLY-JTQLQIEISA-N 1 1 308.342 0.384 20 5 DCBDMO COCC[NH2+]CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000237326265 523939059 /nfs/dbraw/zinc/93/90/59/523939059.db2.gz RBNZLKIWYQTMHJ-UHFFFAOYSA-N 1 1 307.310 0.437 20 5 DCBDMO COCCO[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000189706829 524037316 /nfs/dbraw/zinc/03/73/16/524037316.db2.gz OZKKGIRRAQYAFY-ZDUSSCGKSA-N 1 1 311.338 0.494 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000266900106 527416122 /nfs/dbraw/zinc/41/61/22/527416122.db2.gz GIWUYIDPHPDPNI-DGCLKSJQSA-N 1 1 320.353 0.755 20 5 DCBDMO Nc1ccc(C(=O)NCC[N@@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000189383355 527470397 /nfs/dbraw/zinc/47/03/97/527470397.db2.gz SDYFLUCDZGXETQ-UHFFFAOYSA-N 1 1 308.338 0.629 20 5 DCBDMO Nc1ccc(C(=O)NCC[N@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000189383355 527470405 /nfs/dbraw/zinc/47/04/05/527470405.db2.gz SDYFLUCDZGXETQ-UHFFFAOYSA-N 1 1 308.338 0.629 20 5 DCBDMO CC[N@@H+]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC000821240286 606731859 /nfs/dbraw/zinc/73/18/59/606731859.db2.gz FYOUBBLLEFINDW-KWQFWETISA-N 1 1 318.341 0.922 20 5 DCBDMO CN(C)C(=O)C[NH+]1CCC(Nc2c([N+](=O)[O-])cnn2C)CC1 ZINC000892445821 658527746 /nfs/dbraw/zinc/52/77/46/658527746.db2.gz AZOSQNXZUMNYLK-UHFFFAOYSA-N 1 1 310.358 0.293 20 5 DCBDMO COc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001022064120 658816716 /nfs/dbraw/zinc/81/67/16/658816716.db2.gz XBAVMNPEAPISRG-YVECIDJPSA-N 1 1 320.349 0.492 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000933437298 658889975 /nfs/dbraw/zinc/88/99/75/658889975.db2.gz ZYTUUWKSFJZDPA-ZYHUDNBSSA-N 1 1 309.370 0.898 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccsc3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776600 659556675 /nfs/dbraw/zinc/55/66/75/659556675.db2.gz CHWBBQRXEHCRJK-LBELIVKGSA-N 1 1 307.375 0.960 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccsc3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025776600 659556679 /nfs/dbraw/zinc/55/66/79/659556679.db2.gz CHWBBQRXEHCRJK-LBELIVKGSA-N 1 1 307.375 0.960 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccsc3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025776600 659556683 /nfs/dbraw/zinc/55/66/83/659556683.db2.gz CHWBBQRXEHCRJK-LBELIVKGSA-N 1 1 307.375 0.960 20 5 DCBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896580131 662295465 /nfs/dbraw/zinc/29/54/65/662295465.db2.gz KOFGWRVIINSSHR-FZMZJTMJSA-N 1 1 306.366 0.959 20 5 DCBDMO CN(CC(=O)NCC[N@@H+](C)CCO)c1ccccc1[N+](=O)[O-] ZINC000899734463 663188034 /nfs/dbraw/zinc/18/80/34/663188034.db2.gz HFIMQBKBWRRYFV-UHFFFAOYSA-N 1 1 310.354 0.071 20 5 DCBDMO C[N@@H+]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000912735913 664213663 /nfs/dbraw/zinc/21/36/63/664213663.db2.gz JRHJHWBTESSKCR-GFCCVEGCSA-N 1 1 311.313 0.411 20 5 DCBDMO C[N@H+]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000912735913 664213666 /nfs/dbraw/zinc/21/36/66/664213666.db2.gz JRHJHWBTESSKCR-GFCCVEGCSA-N 1 1 311.313 0.411 20 5 DCBDMO CN(CC(=O)N1CC[N@H+](C)[C@@H](CO)C1)c1ccccc1[N+](=O)[O-] ZINC000913549938 664350453 /nfs/dbraw/zinc/35/04/53/664350453.db2.gz JQOUVASPBAJJLX-GFCCVEGCSA-N 1 1 322.365 0.166 20 5 DCBDMO CN(CC(=O)N1CC[N@@H+](C)[C@@H](CO)C1)c1ccccc1[N+](=O)[O-] ZINC000913549938 664350455 /nfs/dbraw/zinc/35/04/55/664350455.db2.gz JQOUVASPBAJJLX-GFCCVEGCSA-N 1 1 322.365 0.166 20 5 DCBDMO C[N@@H+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000913556191 664619262 /nfs/dbraw/zinc/61/92/62/664619262.db2.gz SOACTEMIBRUVFI-GBXSZLQWSA-N 1 1 305.334 0.743 20 5 DCBDMO C[N@H+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000913556191 664619263 /nfs/dbraw/zinc/61/92/63/664619263.db2.gz SOACTEMIBRUVFI-GBXSZLQWSA-N 1 1 305.334 0.743 20 5 DCBDMO COC(=O)CC[N@H+](Cn1nccc1[N+](=O)[O-])C1CCOCC1 ZINC000173534525 664629923 /nfs/dbraw/zinc/62/99/23/664629923.db2.gz FSGNDDSNFPBONS-UHFFFAOYSA-N 1 1 312.326 0.793 20 5 DCBDMO COC(=O)CC[N@@H+](Cn1nccc1[N+](=O)[O-])C1CCOCC1 ZINC000173534525 664629924 /nfs/dbraw/zinc/62/99/24/664629924.db2.gz FSGNDDSNFPBONS-UHFFFAOYSA-N 1 1 312.326 0.793 20 5 DCBDMO CN1CC[N@@H+](C)C[C@H]1CNc1nc2ccccn2c1[N+](=O)[O-] ZINC000732049794 664898818 /nfs/dbraw/zinc/89/88/18/664898818.db2.gz ABKQDLHABHFOFY-LLVKDONJSA-N 1 1 304.354 0.900 20 5 DCBDMO Cc1nocc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001002781480 666220645 /nfs/dbraw/zinc/22/06/45/666220645.db2.gz DPVBSIPASJEUBN-CHWSQXEVSA-N 1 1 308.338 0.729 20 5 DCBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000862106149 667017705 /nfs/dbraw/zinc/01/77/05/667017705.db2.gz BENQLRKQGMHPDV-UHFFFAOYSA-N 1 1 321.337 0.165 20 5 DCBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000886590963 667779880 /nfs/dbraw/zinc/77/98/80/667779880.db2.gz ICWOGHWTIHTWFD-GFCCVEGCSA-N 1 1 309.370 0.980 20 5 DCBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000888996814 667947666 /nfs/dbraw/zinc/94/76/66/667947666.db2.gz HVLQZGXXGKILMC-UHFFFAOYSA-N 1 1 321.381 0.618 20 5 DCBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000888996814 667947670 /nfs/dbraw/zinc/94/76/70/667947670.db2.gz HVLQZGXXGKILMC-UHFFFAOYSA-N 1 1 321.381 0.618 20 5 DCBDMO O=C(CC[NH+]1CCOCC1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000750855468 667989464 /nfs/dbraw/zinc/98/94/64/667989464.db2.gz UPKDOXIFURHRFS-UHFFFAOYSA-N 1 1 322.365 0.845 20 5 DCBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC000756817971 668101524 /nfs/dbraw/zinc/10/15/24/668101524.db2.gz JEYHYOJVSXJSNA-QWRGUYRKSA-N 1 1 323.353 0.404 20 5 DCBDMO C[N@H+]1CC[C@@H]1CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000925416684 668313327 /nfs/dbraw/zinc/31/33/27/668313327.db2.gz LHZIZZWVOILRAD-GFCCVEGCSA-N 1 1 322.369 0.842 20 5 DCBDMO CCc1nn(C)c(N2CC[NH+](CCCCO)CC2)c1[N+](=O)[O-] ZINC000769903824 668668579 /nfs/dbraw/zinc/66/85/79/668668579.db2.gz CBPKJGJEIIELBT-UHFFFAOYSA-N 1 1 311.386 0.785 20 5 DCBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000930874168 669098393 /nfs/dbraw/zinc/09/83/93/669098393.db2.gz FDYQAOSOKPPRMJ-PWSUYJOCSA-N 1 1 305.338 0.888 20 5 DCBDMO CN1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000880131192 669163333 /nfs/dbraw/zinc/16/33/33/669163333.db2.gz IBQOXTKYINJHHK-MELADBBJSA-N 1 1 309.370 0.321 20 5 DCBDMO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000880131192 669163336 /nfs/dbraw/zinc/16/33/36/669163336.db2.gz IBQOXTKYINJHHK-MELADBBJSA-N 1 1 309.370 0.321 20 5 DCBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000880131192 669163337 /nfs/dbraw/zinc/16/33/37/669163337.db2.gz IBQOXTKYINJHHK-MELADBBJSA-N 1 1 309.370 0.321 20 5 DCBDMO C[N@H+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000931406835 669194746 /nfs/dbraw/zinc/19/47/46/669194746.db2.gz RKOUOBASEHAMPR-AWEZNQCLSA-N 1 1 322.365 0.532 20 5 DCBDMO CN1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000931406835 669194749 /nfs/dbraw/zinc/19/47/49/669194749.db2.gz RKOUOBASEHAMPR-AWEZNQCLSA-N 1 1 322.365 0.532 20 5 DCBDMO CN1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000931406835 669194752 /nfs/dbraw/zinc/19/47/52/669194752.db2.gz RKOUOBASEHAMPR-AWEZNQCLSA-N 1 1 322.365 0.532 20 5 DCBDMO Nc1ccc(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000808157408 670393227 /nfs/dbraw/zinc/39/32/27/670393227.db2.gz WKTJCWHRKVVIGI-VXGBXAGGSA-N 1 1 320.349 0.458 20 5 DCBDMO CN(CC1C[NH+](C)C1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000849447737 670801334 /nfs/dbraw/zinc/80/13/34/670801334.db2.gz UOANNTPGJXKGAG-UHFFFAOYSA-N 1 1 305.381 0.838 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000820342414 671193890 /nfs/dbraw/zinc/19/38/90/671193890.db2.gz MNSVDGICNJUOQZ-CQSZACIVSA-N 1 1 307.354 0.654 20 5 DCBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827278655 671521040 /nfs/dbraw/zinc/52/10/40/671521040.db2.gz XPSISBSLAUWGLJ-ONGXEEELSA-N 1 1 306.322 0.862 20 5 DCBDMO C[N@H+]1CC[C@H]2CN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000827330235 671523335 /nfs/dbraw/zinc/52/33/35/671523335.db2.gz KYPDUMKZRPHCJI-WCQYABFASA-N 1 1 307.354 0.734 20 5 DCBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](Cc1cncs1)C2 ZINC001072725233 694657242 /nfs/dbraw/zinc/65/72/42/694657242.db2.gz KTCAGAGTLZZYFT-VXGBXAGGSA-N 1 1 322.390 0.843 20 5 DCBDMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001304661881 1159155553 /nfs/dbraw/zinc/15/55/53/1159155553.db2.gz PHSNCWODUNSHFM-OLZOCXBDSA-N 1 1 308.338 0.594 20 5 DCBDMO Cc1ncc(C[N@H+](C)CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001570196644 1161486877 /nfs/dbraw/zinc/48/68/77/1161486877.db2.gz NBDOPHJWBRGNQI-ZIAGYGMSSA-N 1 1 321.381 0.731 20 5 DCBDMO Cc1ncc(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001570196644 1161486889 /nfs/dbraw/zinc/48/68/89/1161486889.db2.gz NBDOPHJWBRGNQI-ZIAGYGMSSA-N 1 1 321.381 0.731 20 5 DCBDMO Cc1ncc(C[N@H+](C)CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001570196644 1161486903 /nfs/dbraw/zinc/48/69/03/1161486903.db2.gz NBDOPHJWBRGNQI-ZIAGYGMSSA-N 1 1 321.381 0.731 20 5 DCBDMO C[C@@H]1CCNC(=O)[C@@H]1NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001576743777 1164449397 /nfs/dbraw/zinc/44/93/97/1164449397.db2.gz BFEHJNPCWDKGKJ-DDHOLCJHSA-N 1 1 320.349 0.410 20 5 DCBDMO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC001585180528 1166408045 /nfs/dbraw/zinc/40/80/45/1166408045.db2.gz IYKKBRIFXUHWPD-LBPRGKRZSA-N 1 1 323.353 0.161 20 5 DCBDMO CCOc1ccc(C(=O)NCC[N@@H+](C)CCO)cc1[N+](=O)[O-] ZINC001596048343 1167986630 /nfs/dbraw/zinc/98/66/30/1167986630.db2.gz XFYFDRSWGGUFEN-UHFFFAOYSA-N 1 1 311.338 0.647 20 5 DCBDMO C[N@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1 ZINC001604855356 1169710483 /nfs/dbraw/zinc/71/04/83/1169710483.db2.gz FJLLGZCZWBAGCM-SSDOTTSWSA-N 1 1 304.314 0.473 20 5 DCBDMO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C[C@H](O)C1CC1 ZINC001609278604 1170909863 /nfs/dbraw/zinc/90/98/63/1170909863.db2.gz QAXVCVYNJKUFQB-ZDUSSCGKSA-N 1 1 318.337 0.978 20 5 DCBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC001623518088 1171439800 /nfs/dbraw/zinc/43/98/00/1171439800.db2.gz XHJYIMWSZPAPCX-CMPLNLGQSA-N 1 1 323.353 0.561 20 5 DCBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC001623518088 1171439803 /nfs/dbraw/zinc/43/98/03/1171439803.db2.gz XHJYIMWSZPAPCX-CMPLNLGQSA-N 1 1 323.353 0.561 20 5 DCBDMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001629833623 1171559617 /nfs/dbraw/zinc/55/96/17/1171559617.db2.gz FVMDJCNVJQQXGF-ZFWWWQNUSA-N 1 1 322.365 0.578 20 5 DCBDMO Nc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001643802583 1171986274 /nfs/dbraw/zinc/98/62/74/1171986274.db2.gz BAQNEUPHHAPKCX-NWDGAFQWSA-N 1 1 320.349 0.458 20 5 DCBDMO O=C(c1csc([N+](=O)[O-])c1)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001643802950 1171986732 /nfs/dbraw/zinc/98/67/32/1171986732.db2.gz JLVPRWQDPYNJDE-WDEREUQCSA-N 1 1 311.363 0.937 20 5 DCBDMO C[C@@H](O)C[N@@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001646398624 1172364480 /nfs/dbraw/zinc/36/44/80/1172364480.db2.gz IWVHHARKRMPKTN-SNVBAGLBSA-N 1 1 317.367 0.186 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001647869078 1173059986 /nfs/dbraw/zinc/05/99/86/1173059986.db2.gz YQNZUOROALQWEL-CHWSQXEVSA-N 1 1 311.382 0.491 20 5 DCBDMO O=C(CC[N@H+]1CC[C@H](O)[C@@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC001654751546 1173811434 /nfs/dbraw/zinc/81/14/34/1173811434.db2.gz GYTXXNIGLPBRCI-RISCZKNCSA-N 1 1 323.349 0.599 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(c3ncccn3)CCC2)c1 ZINC001659954920 1173938122 /nfs/dbraw/zinc/93/81/22/1173938122.db2.gz PTEUMAYJFVFBMA-GFCCVEGCSA-N 1 1 318.337 0.611 20 5 DCBDMO C[N@@H+](CCO)CCNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001671789288 1175036916 /nfs/dbraw/zinc/03/69/16/1175036916.db2.gz JVKILHHBQIMHIE-UHFFFAOYSA-N 1 1 300.290 0.780 20 5 DCBDMO C[C@@H]1CC[N@@H+](CCNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001678816556 1175680060 /nfs/dbraw/zinc/68/00/60/1175680060.db2.gz HGGGCXGZDGZDMU-LLVKDONJSA-N 1 1 310.358 0.432 20 5 DCBDMO C[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001680738199 1175845613 /nfs/dbraw/zinc/84/56/13/1175845613.db2.gz ZMGKZBQFPTUPCY-JTQLQIEISA-N 1 1 321.337 0.909 20 5 DCBDMO Cc1ncsc1CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001699257360 1177995911 /nfs/dbraw/zinc/99/59/11/1177995911.db2.gz NXPQWUVJOSAQLJ-JGLYPNHGSA-N 1 1 324.406 0.921 20 5 DCBDMO CN(C)c1cc(C[N@@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccn1 ZINC001713451618 1180831510 /nfs/dbraw/zinc/83/15/10/1180831510.db2.gz LYXQGHFPYJUHTG-CHWSQXEVSA-N 1 1 321.381 0.361 20 5 DCBDMO Cc1ccccc1C[NH2+]CCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001733614956 1186368443 /nfs/dbraw/zinc/36/84/43/1186368443.db2.gz AFNSBOKVLJGBMN-HUUCEWRRSA-N 1 1 321.377 0.571 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CCc1ccoc1 ZINC001125483575 747219232 /nfs/dbraw/zinc/21/92/32/747219232.db2.gz IBBFGHWLSVMQNN-UHFFFAOYSA-N 1 1 321.337 0.760 20 5 DCBDMO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC001167805102 748355325 /nfs/dbraw/zinc/35/53/25/748355325.db2.gz WJHPTQYXIDCMAE-GFCCVEGCSA-N 1 1 300.315 0.386 20 5 DCBDMO Cc1ccc(OCC[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001126942577 750154583 /nfs/dbraw/zinc/15/45/83/750154583.db2.gz BRPFGBWNRRAJHU-ZIAGYGMSSA-N 1 1 307.350 0.745 20 5 DCBDMO C[N@@H+]1CCc2c(-n3[n-]c(=O)nc3C[NH3+])ccc([N+](=O)[O-])c2C1 ZINC001168763365 755145988 /nfs/dbraw/zinc/14/59/88/755145988.db2.gz VDFQYZIHHINPHS-UHFFFAOYSA-N 1 1 304.310 0.328 20 5 DCBDMO C[N@H+]1CCc2c(-n3[n-]c(=O)nc3C[NH3+])ccc([N+](=O)[O-])c2C1 ZINC001168763365 755145992 /nfs/dbraw/zinc/14/59/92/755145992.db2.gz VDFQYZIHHINPHS-UHFFFAOYSA-N 1 1 304.310 0.328 20 5 DCBDMO O=C(NCc1ccc2c(c1)C[N@@H+](CCCO)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001054264473 756420559 /nfs/dbraw/zinc/42/05/59/756420559.db2.gz FQEGGAIGTANSFH-HUUCEWRRSA-N 1 1 319.361 0.666 20 5 DCBDMO COc1ccc(C[C@H](C)[N@H+]2C[C@@H](O)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170334049 762612158 /nfs/dbraw/zinc/61/21/58/762612158.db2.gz AGYGMRIWDFERSY-ITDIGPHOSA-N 1 1 310.350 0.819 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)/C=C/c1ccco1 ZINC001122735083 767865709 /nfs/dbraw/zinc/86/57/09/767865709.db2.gz NXDSBBKSTFFTCC-SNAWJCMRSA-N 1 1 319.321 0.841 20 5 DCBDMO Cn1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC001086082804 759691462 /nfs/dbraw/zinc/69/14/62/759691462.db2.gz DODSYUNVUHKTNC-GWNIPJSYSA-N 1 1 307.354 0.070 20 5 DCBDMO COC(=O)[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCOCC1 ZINC001168967892 760534626 /nfs/dbraw/zinc/53/46/26/760534626.db2.gz UKAAWMCTUPPXDO-DRZSPHRISA-N 1 1 300.355 0.990 20 5 DCBDMO CCS(=O)(=O)N1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169040371 760556742 /nfs/dbraw/zinc/55/67/42/760556742.db2.gz ZKIKZBIPVYJOGW-NWDGAFQWSA-N 1 1 305.400 0.399 20 5 DCBDMO CN(CC[N@@H+](C)CCO)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001119970380 766874076 /nfs/dbraw/zinc/87/40/76/766874076.db2.gz XGDLAAXDPBORMV-UHFFFAOYSA-N 1 1 305.338 0.898 20 5 DCBDMO COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC001121025118 767360223 /nfs/dbraw/zinc/36/02/23/767360223.db2.gz UIDDDMYEKDPXMV-SNVBAGLBSA-N 1 1 322.321 0.362 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1ccncc1 ZINC001122593566 767838936 /nfs/dbraw/zinc/83/89/36/767838936.db2.gz AUHHXMWSCXPQRB-UHFFFAOYSA-N 1 1 304.310 0.243 20 5 DCBDMO Cn1ccnc1C[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178458612 770759839 /nfs/dbraw/zinc/75/98/39/770759839.db2.gz OIMZWUYKHYCOMW-CHWSQXEVSA-N 1 1 323.397 0.852 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])cnc3N)[C@@H]2C1 ZINC001181441744 771291956 /nfs/dbraw/zinc/29/19/56/771291956.db2.gz IOAYLPBIKWAYRI-XXILOJSOSA-N 1 1 305.338 0.642 20 5 DCBDMO COc1nc(N2C[C@H]3CCC[N@@H+](C)[C@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001157266829 771570944 /nfs/dbraw/zinc/57/09/44/771570944.db2.gz XUWFHFKABGSUJS-ZJUUUORDSA-N 1 1 323.353 0.932 20 5 DCBDMO O=C(NCCC[NH2+]Cc1ccncc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC001157761007 771665062 /nfs/dbraw/zinc/66/50/62/771665062.db2.gz JTKZPVFRUZXZPB-ZYHUDNBSSA-N 1 1 312.757 0.996 20 5 DCBDMO Cc1cc(Cl)c([N+](=O)[O-])c(NCCN2CC[NH2+]CC2=O)n1 ZINC001161019364 772150565 /nfs/dbraw/zinc/15/05/65/772150565.db2.gz LXUIQXYIVOVHDP-UHFFFAOYSA-N 1 1 313.745 0.795 20 5 DCBDMO O=C1C[NH2+]CCN1CCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC001161024130 772151694 /nfs/dbraw/zinc/15/16/94/772151694.db2.gz GEGPWLXVOSUIOS-UHFFFAOYSA-N 1 1 315.333 0.987 20 5 DCBDMO CNC(=O)C[NH+]1CCC(Nc2ncc([N+](=O)[O-])c(OC)n2)CC1 ZINC001161136923 772173659 /nfs/dbraw/zinc/17/36/59/772173659.db2.gz BTIRMXIBWNRLNU-UHFFFAOYSA-N 1 1 324.341 0.016 20 5 DCBDMO NC(=O)[C@H]1CN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])CC[NH2+]1 ZINC001162061948 772321513 /nfs/dbraw/zinc/32/15/13/772321513.db2.gz JWFOOWGUPXZENF-LLVKDONJSA-N 1 1 319.296 0.546 20 5 DCBDMO C[C@@H]1CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1CCO ZINC001162249470 772347613 /nfs/dbraw/zinc/34/76/13/772347613.db2.gz QWAYCPITESEBIP-ZJUUUORDSA-N 1 1 323.353 0.099 20 5 DCBDMO C[C@@H]1CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1CCO ZINC001162249470 772347615 /nfs/dbraw/zinc/34/76/15/772347615.db2.gz QWAYCPITESEBIP-ZJUUUORDSA-N 1 1 323.353 0.099 20 5 DCBDMO COC(=O)C1([NH3+])CCN(c2ccc([N+](=O)[O-])c(OC)n2)CC1 ZINC001166795206 772861451 /nfs/dbraw/zinc/86/14/51/772861451.db2.gz RBUTYDQRIUTQQC-UHFFFAOYSA-N 1 1 310.310 0.469 20 5 DCBDMO C[C@H]1C[N@@H+](CCO)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001195094139 773324463 /nfs/dbraw/zinc/32/44/63/773324463.db2.gz MXHPGRZPMIDYBN-WFASDCNBSA-N 1 1 309.366 0.627 20 5 DCBDMO CC[N@@H+](CCNC(=O)c1nnc[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001267253041 939403574 /nfs/dbraw/zinc/40/35/74/939403574.db2.gz DKVYRCLZDUKKPM-UHFFFAOYSA-N 1 1 318.337 0.965 20 5 DCBDMO Cc1cncc(C[NH2+]CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001268790764 940361830 /nfs/dbraw/zinc/36/18/30/940361830.db2.gz HTAFDLPLBPPSKQ-ZIAGYGMSSA-N 1 1 306.366 0.993 20 5 DCBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC001319591275 945626929 /nfs/dbraw/zinc/62/69/29/945626929.db2.gz GDGPBCXROMBNKY-NEPJUHHUSA-N 1 1 320.349 0.500 20 5 DCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NCCCCN1CC[NH+](C)CC1 ZINC001319864419 945682958 /nfs/dbraw/zinc/68/29/58/945682958.db2.gz VCXXJHMESNOEMA-UHFFFAOYSA-N 1 1 324.385 0.086 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001333202527 951955998 /nfs/dbraw/zinc/95/59/98/951955998.db2.gz FPNVTJKAECVHGG-GFCCVEGCSA-N 1 1 307.354 0.796 20 5 DCBDMO Cc1nc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)ncc1[N+](=O)[O-] ZINC001333741642 952144284 /nfs/dbraw/zinc/14/42/84/952144284.db2.gz SSEZQDFOKAIGST-GFCCVEGCSA-N 1 1 307.354 0.729 20 5 DCBDMO O=C(C[NH+]1CCC(CO)CC1)NCc1cccc([N+](=O)[O-])c1 ZINC001335753899 952594709 /nfs/dbraw/zinc/59/47/09/952594709.db2.gz ISWVZCZXNJAMPZ-UHFFFAOYSA-N 1 1 307.350 0.915 20 5 DCBDMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC001346473752 953897908 /nfs/dbraw/zinc/89/79/08/953897908.db2.gz WAGWCHZWRAFKRS-IAQYHMDHSA-N 1 1 316.361 0.872 20 5 DCBDMO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC001347858122 954173655 /nfs/dbraw/zinc/17/36/55/954173655.db2.gz YLSMSCFRMCSPOQ-JTQLQIEISA-N 1 1 309.326 0.301 20 5 DCBDMO C[NH+]1CC(N2CCN(C(=O)c3c(F)cccc3[N+](=O)[O-])CC2)C1 ZINC001350560509 955133260 /nfs/dbraw/zinc/13/32/60/955133260.db2.gz HSWWNFAIDWTHIV-UHFFFAOYSA-N 1 1 322.340 0.806 20 5 DCBDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H]1C ZINC001446978126 1013159645 /nfs/dbraw/zinc/15/96/45/1013159645.db2.gz YUDMMGDOHSRDFT-SNVBAGLBSA-N 1 1 324.337 0.632 20 5 DCBDMO COC(=O)CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H]1C ZINC001446978126 1013159651 /nfs/dbraw/zinc/15/96/51/1013159651.db2.gz YUDMMGDOHSRDFT-SNVBAGLBSA-N 1 1 324.337 0.632 20 5 DCBDMO NC(=O)c1ccnc(NCc2c[nH+]c3n2CCC3)c1[N+](=O)[O-] ZINC001307210812 960144564 /nfs/dbraw/zinc/14/45/64/960144564.db2.gz ZRKAGUAMJOAPIT-UHFFFAOYSA-N 1 1 302.294 0.844 20 5 DCBDMO NC(=O)c1ccc(C[N@H+]2C[C@H](CO)[C@H](CCO)C2)c([N+](=O)[O-])c1 ZINC001308161276 960167589 /nfs/dbraw/zinc/16/75/89/960167589.db2.gz BIYCPZXRULPHFR-DGCLKSJQSA-N 1 1 323.349 0.116 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2C[NH+](C)C2)CC1 ZINC001528970387 1014467423 /nfs/dbraw/zinc/46/74/23/1014467423.db2.gz YFPVXVYDKMSBNM-UHFFFAOYSA-N 1 1 318.377 0.975 20 5 DCBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001545911929 1007531682 /nfs/dbraw/zinc/53/16/82/1007531682.db2.gz WJMQVJZPUOLOKT-NSHDSACASA-N 1 1 323.353 0.101 20 5 DCBDMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001520037875 1017243310 /nfs/dbraw/zinc/24/33/10/1017243310.db2.gz UTMHGMOEMWZJGW-IUODEOHRSA-N 1 1 318.377 0.642 20 5 DCBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001454774228 1009308607 /nfs/dbraw/zinc/30/86/07/1009308607.db2.gz CVWYYUCLJIQNJT-OAHLLOKOSA-N 1 1 323.349 0.292 20 5 DCBDMO O=C(Cn1ccc([N+](=O)[O-])n1)O[C@H]1C[C@@H]([NH+]2CCOCC2)C1 ZINC001515058420 1017094254 /nfs/dbraw/zinc/09/42/54/1017094254.db2.gz GEKKHKYSBYTAAL-PHIMTYICSA-N 1 1 310.310 0.198 20 5 DCBDMO CC(C)(O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC001458529104 1012207914 /nfs/dbraw/zinc/20/79/14/1012207914.db2.gz FMPROAFFOYWYQW-NSHDSACASA-N 1 1 322.365 0.951 20 5 DCBDMO O=[N+]([O-])c1cnc(NC[C@@]2(CO)COCC[NH2+]2)c2ccccc21 ZINC001559270917 1012413863 /nfs/dbraw/zinc/41/38/63/1012413863.db2.gz LCJKHEUDEPXRAP-OAHLLOKOSA-N 1 1 318.333 0.906 20 5 DCBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001543969442 1012530906 /nfs/dbraw/zinc/53/09/06/1012530906.db2.gz QQXWRROZJPJJGQ-JTQLQIEISA-N 1 1 307.354 0.986 20 5 DCBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[NH+](CCO)CC1 ZINC000278749608 214373474 /nfs/dbraw/zinc/37/34/74/214373474.db2.gz RSLHBESUHXJZKH-UHFFFAOYSA-N 1 1 323.349 0.804 20 5 DCBDMO NC(=O)[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[NH2+]1 ZINC000264922428 283328001 /nfs/dbraw/zinc/32/80/01/283328001.db2.gz MMSWDNFKXJYTKJ-NSHDSACASA-N 1 1 301.306 0.407 20 5 DCBDMO CC[C@H](O)C[NH+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000180759912 199204964 /nfs/dbraw/zinc/20/49/64/199204964.db2.gz RSUVNXSXAPFMNH-NSHDSACASA-N 1 1 322.365 0.706 20 5 DCBDMO COCC[N@@H+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H]1C ZINC000181096047 199252175 /nfs/dbraw/zinc/25/21/75/199252175.db2.gz JFIPWQKSTCKJLH-LLVKDONJSA-N 1 1 322.365 0.970 20 5 DCBDMO COCC[N@H+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H]1C ZINC000181096047 199252177 /nfs/dbraw/zinc/25/21/77/199252177.db2.gz JFIPWQKSTCKJLH-LLVKDONJSA-N 1 1 322.365 0.970 20 5 DCBDMO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ncnn1C ZINC000566123697 291272336 /nfs/dbraw/zinc/27/23/36/291272336.db2.gz CZTJNXRWSZRFJH-JQWIXIFHSA-N 1 1 321.337 0.814 20 5 DCBDMO Cc1ccc([C@H](C)NCC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000567375303 291351914 /nfs/dbraw/zinc/35/19/14/291351914.db2.gz ORIOLKXCCUPSQA-LBPRGKRZSA-N 1 1 306.366 0.986 20 5 DCBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000266176042 205160319 /nfs/dbraw/zinc/16/03/19/205160319.db2.gz XLWCGUWPTLXJRE-GFCCVEGCSA-N 1 1 306.366 0.879 20 5 DCBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000266176042 205160320 /nfs/dbraw/zinc/16/03/20/205160320.db2.gz XLWCGUWPTLXJRE-GFCCVEGCSA-N 1 1 306.366 0.879 20 5 DCBDMO O=C(COc1ccccc1[N+](=O)[O-])NCCC[NH+]1CCOCC1 ZINC000022688132 182330233 /nfs/dbraw/zinc/33/02/33/182330233.db2.gz GNCYDPBSHNYHPP-UHFFFAOYSA-N 1 1 323.349 0.812 20 5 DCBDMO CNC(=O)CC[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000340691045 253292490 /nfs/dbraw/zinc/29/24/90/253292490.db2.gz AHLZEFSEPWXSTC-UHFFFAOYSA-N 1 1 308.338 0.910 20 5 DCBDMO CNC(=O)CC[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000340691045 253292491 /nfs/dbraw/zinc/29/24/91/253292491.db2.gz AHLZEFSEPWXSTC-UHFFFAOYSA-N 1 1 308.338 0.910 20 5 DCBDMO C[N@H+](CCC(N)=O)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000286493345 219017661 /nfs/dbraw/zinc/01/76/61/219017661.db2.gz PDMMQQTWHNFPHQ-UHFFFAOYSA-N 1 1 306.322 0.291 20 5 DCBDMO C[N@@H+](CCC(N)=O)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000286493345 219017664 /nfs/dbraw/zinc/01/76/64/219017664.db2.gz PDMMQQTWHNFPHQ-UHFFFAOYSA-N 1 1 306.322 0.291 20 5 DCBDMO COC(=O)[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1C ZINC000346691006 254083674 /nfs/dbraw/zinc/08/36/74/254083674.db2.gz VJEBNONXMMGZNV-JQWIXIFHSA-N 1 1 309.322 0.640 20 5 DCBDMO C[C@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000351825326 254372594 /nfs/dbraw/zinc/37/25/94/254372594.db2.gz XKCVUNHSZRSTEQ-HZMBPMFUSA-N 1 1 305.334 0.797 20 5 DCBDMO C[C@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000351825326 254372595 /nfs/dbraw/zinc/37/25/95/254372595.db2.gz XKCVUNHSZRSTEQ-HZMBPMFUSA-N 1 1 305.334 0.797 20 5 DCBDMO CN(C)C(=O)C[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000024241090 395692876 /nfs/dbraw/zinc/69/28/76/395692876.db2.gz NUKAIFAHOQEIHJ-LBPRGKRZSA-N 1 1 311.338 0.355 20 5 DCBDMO CN(C)C(=O)C[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000024241090 395692877 /nfs/dbraw/zinc/69/28/77/395692877.db2.gz NUKAIFAHOQEIHJ-LBPRGKRZSA-N 1 1 311.338 0.355 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000193573006 395771900 /nfs/dbraw/zinc/77/19/00/395771900.db2.gz BLAWIBZJQAHLDB-XPTSAGLGSA-N 1 1 320.349 0.956 20 5 DCBDMO CC[N@@H+](C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000118109735 395859925 /nfs/dbraw/zinc/85/99/25/395859925.db2.gz ZTNIYMLKQMAXSG-UHFFFAOYSA-N 1 1 308.338 0.910 20 5 DCBDMO CCNC(=O)C[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000054223588 395895563 /nfs/dbraw/zinc/89/55/63/395895563.db2.gz SARXAGJVEUHTFK-UHFFFAOYSA-N 1 1 308.338 0.991 20 5 DCBDMO COc1cc(C[N@H+](CCO)CCCO)c([N+](=O)[O-])cc1F ZINC000274327075 395939548 /nfs/dbraw/zinc/93/95/48/395939548.db2.gz QDPUTRPUSYOARB-UHFFFAOYSA-N 1 1 302.302 0.919 20 5 DCBDMO COc1cc(C[N@@H+](CCO)CCCO)c([N+](=O)[O-])cc1F ZINC000274327075 395939552 /nfs/dbraw/zinc/93/95/52/395939552.db2.gz QDPUTRPUSYOARB-UHFFFAOYSA-N 1 1 302.302 0.919 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000246888751 395960135 /nfs/dbraw/zinc/96/01/35/395960135.db2.gz VDOSRDVHAWEYHD-BNOWGMLFSA-N 1 1 310.354 0.653 20 5 DCBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000247273252 395970412 /nfs/dbraw/zinc/97/04/12/395970412.db2.gz FPJBDNORXHCRKP-DGCLKSJQSA-N 1 1 309.370 0.980 20 5 DCBDMO CCC[N@H+]1CC[C@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000151293708 395983418 /nfs/dbraw/zinc/98/34/18/395983418.db2.gz JYOZTKFPDWDUHU-GFCCVEGCSA-N 1 1 324.385 0.822 20 5 DCBDMO CNC(=O)CCC[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000154754965 396042087 /nfs/dbraw/zinc/04/20/87/396042087.db2.gz RRGWASXQSSWFMZ-UHFFFAOYSA-N 1 1 308.338 0.652 20 5 DCBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CC(C(N)=O)=NO1 ZINC000276533257 396007777 /nfs/dbraw/zinc/00/77/77/396007777.db2.gz WQAFJYICVSAFGJ-LLVKDONJSA-N 1 1 322.321 0.713 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262048456 396093888 /nfs/dbraw/zinc/09/38/88/396093888.db2.gz ZJRPWJUZNBAVGU-RNCFNFMXSA-N 1 1 309.322 0.597 20 5 DCBDMO CNC(=O)[C@]1(C)CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000280536104 396206542 /nfs/dbraw/zinc/20/65/42/396206542.db2.gz DDSIUNRTNKUAMP-CQSZACIVSA-N 1 1 308.338 0.215 20 5 DCBDMO C[C@@H]1C[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C[N@H+]1C1CC1 ZINC000177096738 396166313 /nfs/dbraw/zinc/16/63/13/396166313.db2.gz QSJOCCXFAGIQRX-GHMZBOCLSA-N 1 1 307.354 0.923 20 5 DCBDMO CC[C@H](O)[C@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075752029 396186050 /nfs/dbraw/zinc/18/60/50/396186050.db2.gz XPLBSDDBVGCSFJ-MJBXVCDLSA-N 1 1 312.370 0.778 20 5 DCBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000178544872 396198308 /nfs/dbraw/zinc/19/83/08/396198308.db2.gz VYAIVPGXOXULAI-YPMHNXCESA-N 1 1 307.354 0.734 20 5 DCBDMO C[N@@H+](CCOCCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000282280270 396277407 /nfs/dbraw/zinc/27/74/07/396277407.db2.gz DWBDMVHZIOADHU-ZDUSSCGKSA-N 1 1 314.338 0.275 20 5 DCBDMO C[C@]1(C(N)=O)CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000280722313 396216735 /nfs/dbraw/zinc/21/67/35/396216735.db2.gz KIYZUJZOIKLPQW-AWEZNQCLSA-N 1 1 306.322 0.731 20 5 DCBDMO C[C@]1(C(N)=O)CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000280722313 396216738 /nfs/dbraw/zinc/21/67/38/396216738.db2.gz KIYZUJZOIKLPQW-AWEZNQCLSA-N 1 1 306.322 0.731 20 5 DCBDMO C[N@H+](Cc1cccc(O)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000080918561 396288891 /nfs/dbraw/zinc/28/88/91/396288891.db2.gz ODPBMMBAJIBZLQ-CQSZACIVSA-N 1 1 306.322 0.990 20 5 DCBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000264680756 396301950 /nfs/dbraw/zinc/30/19/50/396301950.db2.gz ZWDPYBNAEACDSI-NSHDSACASA-N 1 1 320.349 0.357 20 5 DCBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1(CO)CCOCC1 ZINC000191015802 396413963 /nfs/dbraw/zinc/41/39/63/396413963.db2.gz ZZBDAWUBGNACCU-UHFFFAOYSA-N 1 1 323.349 0.667 20 5 DCBDMO COc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000507335027 396497006 /nfs/dbraw/zinc/49/70/06/396497006.db2.gz STJHQULALLOART-SECBINFHSA-N 1 1 315.351 0.586 20 5 DCBDMO COc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000507335027 396497008 /nfs/dbraw/zinc/49/70/08/396497008.db2.gz STJHQULALLOART-SECBINFHSA-N 1 1 315.351 0.586 20 5 DCBDMO CNC(=O)C[NH+]1CCC(Nc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193384057 396450157 /nfs/dbraw/zinc/45/01/57/396450157.db2.gz HJUSNERFYBRSQU-UHFFFAOYSA-N 1 1 307.354 0.799 20 5 DCBDMO [NH3+][C@@H]1C[C@@H]2CN(Cc3cc(O)ccc3[N+](=O)[O-])CCN2C1=O ZINC000594876088 396533206 /nfs/dbraw/zinc/53/32/06/396533206.db2.gz CFCAVYXYIWSWSE-ZYHUDNBSSA-N 1 1 306.322 0.044 20 5 DCBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000373110612 396567180 /nfs/dbraw/zinc/56/71/80/396567180.db2.gz IWWKJUDCJJJXFA-GHMZBOCLSA-N 1 1 322.321 0.288 20 5 DCBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C2CC2)O1 ZINC000373430559 396590579 /nfs/dbraw/zinc/59/05/79/396590579.db2.gz HHTVNTPLAFSZFA-SWHYSGLUSA-N 1 1 310.354 0.652 20 5 DCBDMO C[N@H+]1CCCC12CCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000374980078 396703043 /nfs/dbraw/zinc/70/30/43/396703043.db2.gz NMEALQPVRYJXSR-CQSZACIVSA-N 1 1 323.397 0.712 20 5 DCBDMO O=[N+]([O-])c1cc2c(cc1CN1CC[NH+](CCO)CC1)OCCO2 ZINC000610930135 396785382 /nfs/dbraw/zinc/78/53/82/396785382.db2.gz AWRZHMBIXACMQV-UHFFFAOYSA-N 1 1 323.349 0.476 20 5 DCBDMO NC(=O)c1cc(N2CC[N@@H+]3CCOC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000596193325 396728913 /nfs/dbraw/zinc/72/89/13/396728913.db2.gz JYSGOXGYXXWJTO-NSHDSACASA-N 1 1 306.322 0.215 20 5 DCBDMO NC(=O)c1cc(N2CC[N@H+]3CCOC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000596193325 396728916 /nfs/dbraw/zinc/72/89/16/396728916.db2.gz JYSGOXGYXXWJTO-NSHDSACASA-N 1 1 306.322 0.215 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC([NH+]2CCOCC2)CC1 ZINC000600105737 396739515 /nfs/dbraw/zinc/73/95/15/396739515.db2.gz VBPUYWHNLQRYIJ-UHFFFAOYSA-N 1 1 308.338 0.860 20 5 DCBDMO O=c1[nH]ccc(N2CCC[C@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000596247997 396744232 /nfs/dbraw/zinc/74/42/32/396744232.db2.gz VBMLAMCKVOAVJU-NSHDSACASA-N 1 1 308.338 0.996 20 5 DCBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000590930746 396856956 /nfs/dbraw/zinc/85/69/56/396856956.db2.gz BDWHJAAPNQONKH-LLVKDONJSA-N 1 1 310.358 0.527 20 5 DCBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000600698423 396920943 /nfs/dbraw/zinc/92/09/43/396920943.db2.gz DXAGASFLUFURHO-JTQLQIEISA-N 1 1 312.301 0.922 20 5 DCBDMO C[C@@H](C(=O)NCC[N@H+]1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000600808815 396947834 /nfs/dbraw/zinc/94/78/34/396947834.db2.gz RVPPECYJEDCHNA-RISCZKNCSA-N 1 1 307.350 0.881 20 5 DCBDMO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000592206049 397128238 /nfs/dbraw/zinc/12/82/38/397128238.db2.gz LMPWTVNEGSLPST-AAEUAGOBSA-N 1 1 324.333 0.959 20 5 DCBDMO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000592206049 397128240 /nfs/dbraw/zinc/12/82/40/397128240.db2.gz LMPWTVNEGSLPST-AAEUAGOBSA-N 1 1 324.333 0.959 20 5 DCBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000619578167 397153273 /nfs/dbraw/zinc/15/32/73/397153273.db2.gz BBKMMXKZVDSWRO-LBPRGKRZSA-N 1 1 322.365 0.699 20 5 DCBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH2+]C[C@H]1C ZINC000592366613 397160338 /nfs/dbraw/zinc/16/03/38/397160338.db2.gz CGOAQJCRNLKNDE-SECBINFHSA-N 1 1 315.351 0.586 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000613014673 397179785 /nfs/dbraw/zinc/17/97/85/397179785.db2.gz UVJJEPPUKJMPAA-HNNXBMFYSA-N 1 1 323.349 0.522 20 5 DCBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC(CN2CC[NH+](C)CC2)C1 ZINC000599108565 397340461 /nfs/dbraw/zinc/34/04/61/397340461.db2.gz NGHCHTZIMCINHK-UHFFFAOYSA-N 1 1 322.413 0.803 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@H+]2CC[C@@H](O)C2)n1 ZINC000599176008 397354977 /nfs/dbraw/zinc/35/49/77/397354977.db2.gz NQVNLJCJZWBFMO-SECBINFHSA-N 1 1 310.310 0.255 20 5 DCBDMO C[N@H+](CCN1CCCCC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593112550 397328856 /nfs/dbraw/zinc/32/88/56/397328856.db2.gz OPSSSWIROCAFTA-AWEZNQCLSA-N 1 1 311.386 0.570 20 5 DCBDMO C[N@@H+](CCN1CCCCC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593112550 397328862 /nfs/dbraw/zinc/32/88/62/397328862.db2.gz OPSSSWIROCAFTA-AWEZNQCLSA-N 1 1 311.386 0.570 20 5 DCBDMO CN(C(=O)CN1CC[N@H+](C)C[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000602903035 397518490 /nfs/dbraw/zinc/51/84/90/397518490.db2.gz AIPKRVKVWSCTCQ-CQSZACIVSA-N 1 1 322.365 0.166 20 5 DCBDMO CN(C(=O)CN1CC[N@@H+](C)C[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000602903035 397518492 /nfs/dbraw/zinc/51/84/92/397518492.db2.gz AIPKRVKVWSCTCQ-CQSZACIVSA-N 1 1 322.365 0.166 20 5 DCBDMO CCc1n[nH]c(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599936778 397544616 /nfs/dbraw/zinc/54/46/16/397544616.db2.gz BWJIKYCASUUSRR-ZJUUUORDSA-N 1 1 323.353 0.161 20 5 DCBDMO CCc1n[nH]c(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599936778 397544618 /nfs/dbraw/zinc/54/46/18/397544618.db2.gz 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323.349 0.545 20 5 DCBDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000261814375 279377884 /nfs/dbraw/zinc/37/78/84/279377884.db2.gz XGJLWTPJVMLQQC-VIFPVBQESA-N 1 1 305.294 0.708 20 5 DCBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548414065 288140794 /nfs/dbraw/zinc/14/07/94/288140794.db2.gz KRQAXSRFVCNFDD-UHFFFAOYSA-N 1 1 310.358 0.027 20 5 DCBDMO O=C1C[NH2+]CCN1[C@@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000582477050 337096195 /nfs/dbraw/zinc/09/61/95/337096195.db2.gz SWTYLIACFXKHJG-SECBINFHSA-N 1 1 311.367 0.452 20 5 DCBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NCC[N@H+]1CCCOCC1 ZINC000189470446 526670820 /nfs/dbraw/zinc/67/08/20/526670820.db2.gz SGVHQTONUAVDQP-UHFFFAOYSA-N 1 1 311.342 0.020 20 5 DCBDMO Cc1nn(C)c(C(=O)NCCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000196764919 545934887 /nfs/dbraw/zinc/93/48/87/545934887.db2.gz QTGGOUURJPOYRJ-UHFFFAOYSA-N 1 1 311.342 0.089 20 5 DCBDMO C[N@H+]1CCC[C@@H]1CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821625437 606702851 /nfs/dbraw/zinc/70/28/51/606702851.db2.gz NSJJIIJKSAQRAJ-MRVPVSSYSA-N 1 1 304.314 0.676 20 5 DCBDMO C[N@H+]1CCC[C@H](CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821623997 606709724 /nfs/dbraw/zinc/70/97/24/606709724.db2.gz XDYJFXNMGWIZIT-SECBINFHSA-N 1 1 318.341 0.924 20 5 DCBDMO Cc1noc(C)c1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001022061723 658811440 /nfs/dbraw/zinc/81/14/40/658811440.db2.gz UCQQJLMVLVGTFO-LSCVPOLPSA-N 1 1 308.338 0.693 20 5 DCBDMO Cc1cnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC001022063711 658815118 /nfs/dbraw/zinc/81/51/18/658815118.db2.gz IMDAVWBTRQZRAA-LYIQGSDWSA-N 1 1 305.338 0.187 20 5 DCBDMO Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)sn1 ZINC001022063432 658819140 /nfs/dbraw/zinc/81/91/40/658819140.db2.gz BLLYUNAJBRUKKM-RBLKWDMZSA-N 1 1 310.379 0.854 20 5 DCBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@@H]1CC[NH2+]C1 ZINC000261669635 661380500 /nfs/dbraw/zinc/38/05/00/661380500.db2.gz FVYIHGZCIAFAIV-MRVPVSSYSA-N 1 1 303.315 0.622 20 5 DCBDMO C[N@H+]1C[C@H]2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000893752522 661404757 /nfs/dbraw/zinc/40/47/57/661404757.db2.gz MOZBRLFXILNFQN-PWSUYJOCSA-N 1 1 308.342 0.137 20 5 DCBDMO COC(=O)[C@@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000840500775 661655502 /nfs/dbraw/zinc/65/55/02/661655502.db2.gz XFZAURGWIVMELN-NSHDSACASA-N 1 1 315.370 0.385 20 5 DCBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)CCO ZINC000925008094 661873678 /nfs/dbraw/zinc/87/36/78/661873678.db2.gz ALZNIDGMYJLDCJ-UHFFFAOYSA-N 1 1 310.354 0.315 20 5 DCBDMO CC(C)(CCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)[N+](=O)[O-] ZINC000889751724 662031984 /nfs/dbraw/zinc/03/19/84/662031984.db2.gz RYFGEPAKMUAIPO-OLZOCXBDSA-N 1 1 313.398 0.880 20 5 DCBDMO CCc1nn(C)c(N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000895247494 662156031 /nfs/dbraw/zinc/15/60/31/662156031.db2.gz UTZBDABLKWUGQE-CMPLNLGQSA-N 1 1 310.402 0.937 20 5 DCBDMO CC(C)(CCC(=O)NCC[N@@H+]1CCC2(C1)OCCO2)[N+](=O)[O-] ZINC000899060956 663122106 /nfs/dbraw/zinc/12/21/06/663122106.db2.gz BLUFBLRCDJRRSR-UHFFFAOYSA-N 1 1 315.370 0.387 20 5 DCBDMO CC(C)(CCC(=O)NCC[N@H+]1CCC2(C1)OCCO2)[N+](=O)[O-] ZINC000899060956 663122107 /nfs/dbraw/zinc/12/21/07/663122107.db2.gz BLUFBLRCDJRRSR-UHFFFAOYSA-N 1 1 315.370 0.387 20 5 DCBDMO C[N@@H+](CCO)CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000899725706 663181783 /nfs/dbraw/zinc/18/17/83/663181783.db2.gz CSRKMIVJXLBVQF-UHFFFAOYSA-N 1 1 301.730 0.902 20 5 DCBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+](C)CCO)c1 ZINC000899727554 663182634 /nfs/dbraw/zinc/18/26/34/663182634.db2.gz DQOUUAGOVLQOIL-UHFFFAOYSA-N 1 1 313.379 0.971 20 5 DCBDMO C[N@@H+]1CCO[C@@H](C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC000911476160 664058670 /nfs/dbraw/zinc/05/86/70/664058670.db2.gz NHQSTQRFORAYKF-GFCCVEGCSA-N 1 1 315.276 0.820 20 5 DCBDMO C[N@H+]1CCO[C@@H](C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC000911476160 664058672 /nfs/dbraw/zinc/05/86/72/664058672.db2.gz NHQSTQRFORAYKF-GFCCVEGCSA-N 1 1 315.276 0.820 20 5 DCBDMO Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)co1 ZINC000996428726 666790380 /nfs/dbraw/zinc/79/03/80/666790380.db2.gz GYYIKIUMOOCEGH-CHWSQXEVSA-N 1 1 308.338 0.729 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2nccs2)CC1 ZINC000996428387 666790651 /nfs/dbraw/zinc/79/06/51/666790651.db2.gz ANXZNLPMHZTCSO-GHMZBOCLSA-N 1 1 310.379 0.889 20 5 DCBDMO Cc1oncc1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996430072 666791014 /nfs/dbraw/zinc/79/10/14/666791014.db2.gz ZGGOKDBGWVDYOM-CHWSQXEVSA-N 1 1 308.338 0.729 20 5 DCBDMO Nc1ccc(NC(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000861202667 666910291 /nfs/dbraw/zinc/91/02/91/666910291.db2.gz NKANXMOVVCJEME-SNVBAGLBSA-N 1 1 309.326 0.365 20 5 DCBDMO CO[C@H]1C[N@@H+](C)[C@](C)(COC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000861349317 666920267 /nfs/dbraw/zinc/92/02/67/666920267.db2.gz RXELYKCYTNANGA-RNCFNFMXSA-N 1 1 312.326 0.594 20 5 DCBDMO O=[N+]([O-])c1cc(CO)c(N2CC[NH+](CCCO)CC2)cc1F ZINC000865486629 667328255 /nfs/dbraw/zinc/32/82/55/667328255.db2.gz CBPGYTVMUYPHNZ-UHFFFAOYSA-N 1 1 313.329 0.731 20 5 DCBDMO CN(CCN1CC[NH2+]CC1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923285543 667495242 /nfs/dbraw/zinc/49/52/42/667495242.db2.gz HNLXBHBVRRBQDF-OAHLLOKOSA-N 1 1 308.382 0.465 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000923357517 667512905 /nfs/dbraw/zinc/51/29/05/667512905.db2.gz XQJQYAYTAQQJSI-KGLIPLIRSA-N 1 1 309.370 0.228 20 5 DCBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923516039 667551814 /nfs/dbraw/zinc/55/18/14/667551814.db2.gz SGRLYQTUYAAONK-GUTXKFCHSA-N 1 1 321.377 0.876 20 5 DCBDMO CCN1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC000870914003 667772218 /nfs/dbraw/zinc/77/22/18/667772218.db2.gz HUAXOAGMPNLEBP-OAHLLOKOSA-N 1 1 306.366 0.933 20 5 DCBDMO C[C@@]([NH3+])(C(=O)N1C[C@@H]2COC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000872315280 667890304 /nfs/dbraw/zinc/89/03/04/667890304.db2.gz XIYLNWACWARNSB-RWSFTLGLSA-N 1 1 305.334 0.874 20 5 DCBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000750727311 667986420 /nfs/dbraw/zinc/98/64/20/667986420.db2.gz GVLCVEXEOJRDNC-UHFFFAOYSA-N 1 1 320.349 0.583 20 5 DCBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC000756817968 668101700 /nfs/dbraw/zinc/10/17/00/668101700.db2.gz JEYHYOJVSXJSNA-MNOVXSKESA-N 1 1 323.353 0.404 20 5 DCBDMO C[NH+](C)CCOc1cc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])ccn1 ZINC000839716186 668136518 /nfs/dbraw/zinc/13/65/18/668136518.db2.gz MQTYRZSZZCTADN-VXGBXAGGSA-N 1 1 308.338 0.303 20 5 DCBDMO Cc1nn(C)c(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000874846274 668226159 /nfs/dbraw/zinc/22/61/59/668226159.db2.gz XQYWVTIWQYWREM-WDEREUQCSA-N 1 1 307.354 0.945 20 5 DCBDMO C[N@H+]1CCCN(C(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)CC1 ZINC000876805854 668514601 /nfs/dbraw/zinc/51/46/01/668514601.db2.gz GLWIDVBQYMEBFF-OAHLLOKOSA-N 1 1 306.366 0.933 20 5 DCBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H](O)C1(O)CCOCC1)C2 ZINC000930099485 668956617 /nfs/dbraw/zinc/95/66/17/668956617.db2.gz LQDIJTLXCBLQHV-HNNXBMFYSA-N 1 1 322.361 0.855 20 5 DCBDMO C[C@H]([NH2+]CC[N+](=O)[O-])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000930213194 668977900 /nfs/dbraw/zinc/97/79/00/668977900.db2.gz KZVOADLXMZEHMY-JTQLQIEISA-N 1 1 301.368 0.864 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@H+](C)[C@@H](CO)C2)c1 ZINC000931399798 669191458 /nfs/dbraw/zinc/19/14/58/669191458.db2.gz GDXCBOBUSRWXRL-CYBMUJFWSA-N 1 1 323.349 0.490 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@@H+](C)[C@@H](CO)C2)c1 ZINC000931399798 669191460 /nfs/dbraw/zinc/19/14/60/669191460.db2.gz GDXCBOBUSRWXRL-CYBMUJFWSA-N 1 1 323.349 0.490 20 5 DCBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC2(C1)OCCO2 ZINC000784177694 669192749 /nfs/dbraw/zinc/19/27/49/669192749.db2.gz DPWNQNIWLPTLPG-GFCCVEGCSA-N 1 1 324.333 0.783 20 5 DCBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC2(C1)OCCO2 ZINC000784177694 669192755 /nfs/dbraw/zinc/19/27/55/669192755.db2.gz DPWNQNIWLPTLPG-GFCCVEGCSA-N 1 1 324.333 0.783 20 5 DCBDMO O=C1C[C@]2(CC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)CN1 ZINC000789355994 669488566 /nfs/dbraw/zinc/48/85/66/669488566.db2.gz WZFXQWFKXIGQBP-UKRRQHHQSA-N 1 1 305.334 0.840 20 5 DCBDMO Cn1cc(CN2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c([N+](=O)[O-])n1 ZINC000934277054 669590245 /nfs/dbraw/zinc/59/02/45/669590245.db2.gz YEUZKZKGOQKBGN-CHWSQXEVSA-N 1 1 309.370 0.359 20 5 DCBDMO C[C@@]1(C(N)=O)CC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794709921 669860608 /nfs/dbraw/zinc/86/06/08/669860608.db2.gz GMGPYFUZYBRPKP-CQSZACIVSA-N 1 1 320.305 0.658 20 5 DCBDMO C[C@@]1(C(N)=O)CC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794709921 669860611 /nfs/dbraw/zinc/86/06/11/669860611.db2.gz GMGPYFUZYBRPKP-CQSZACIVSA-N 1 1 320.305 0.658 20 5 DCBDMO NC(=O)C[NH+]1CCC(Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804339657 670291194 /nfs/dbraw/zinc/29/11/94/670291194.db2.gz CNMPOVILCRHIPZ-UHFFFAOYSA-N 1 1 323.309 0.865 20 5 DCBDMO NC(=O)c1ccnc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000811782107 670548899 /nfs/dbraw/zinc/54/88/99/670548899.db2.gz GMROMKFQUVJJIQ-VHSXEESVSA-N 1 1 321.337 0.364 20 5 DCBDMO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000817118359 670896857 /nfs/dbraw/zinc/89/68/57/670896857.db2.gz TXBHBPFKINABPR-GHMZBOCLSA-N 1 1 320.349 0.969 20 5 DCBDMO O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840372863 671092229 /nfs/dbraw/zinc/09/22/29/671092229.db2.gz SJMRNQGVAQATJU-IIAWOOMASA-N 1 1 319.361 0.405 20 5 DCBDMO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000840372863 671092233 /nfs/dbraw/zinc/09/22/33/671092233.db2.gz SJMRNQGVAQATJU-IIAWOOMASA-N 1 1 319.361 0.405 20 5 DCBDMO O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000840372863 671092238 /nfs/dbraw/zinc/09/22/38/671092238.db2.gz SJMRNQGVAQATJU-IIAWOOMASA-N 1 1 319.361 0.405 20 5 DCBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2nnnn2C2CC2)c1 ZINC000819119124 671096802 /nfs/dbraw/zinc/09/68/02/671096802.db2.gz QNYANCAMPLHCBM-GFCCVEGCSA-N 1 1 304.310 0.739 20 5 DCBDMO O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000840461094 671269392 /nfs/dbraw/zinc/26/93/92/671269392.db2.gz BMROTAKGMHFDOQ-BFHYXJOUSA-N 1 1 305.334 0.857 20 5 DCBDMO COC(=O)CC[C@H]([NH3+])c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000822862128 671350580 /nfs/dbraw/zinc/35/05/80/671350580.db2.gz IADFGPDHFCJKOM-JTQLQIEISA-N 1 1 321.293 0.917 20 5 DCBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000837192089 671850893 /nfs/dbraw/zinc/85/08/93/671850893.db2.gz RSGNCFFJSSCAER-JTQLQIEISA-N 1 1 308.338 0.316 20 5 DCBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000837192089 671850896 /nfs/dbraw/zinc/85/08/96/671850896.db2.gz RSGNCFFJSSCAER-JTQLQIEISA-N 1 1 308.338 0.316 20 5 DCBDMO CC(C)[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cnnn1C ZINC001567641478 1160444940 /nfs/dbraw/zinc/44/49/40/1160444940.db2.gz HSBHDVVZFJDCMT-CHWSQXEVSA-N 1 1 324.385 0.197 20 5 DCBDMO CC(C)CC[NH2+]CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001570301519 1161554549 /nfs/dbraw/zinc/55/45/49/1161554549.db2.gz ZUBSVDZYRKOPMR-CHWSQXEVSA-N 1 1 313.398 0.953 20 5 DCBDMO O=C(NC1(C[NH2+]CCc2c[nH]nn2)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001577970612 1164868147 /nfs/dbraw/zinc/86/81/47/1164868147.db2.gz IEHUKXKYKYCKFE-VXGBXAGGSA-N 1 1 322.369 0.031 20 5 DCBDMO C[N@@H+](CCO)CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001579226873 1165245128 /nfs/dbraw/zinc/24/51/28/1165245128.db2.gz GIJLXSVWDNSUNO-UHFFFAOYSA-N 1 1 307.314 0.111 20 5 DCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC001593471372 1167861301 /nfs/dbraw/zinc/86/13/01/1167861301.db2.gz PYWCZFZXCGWVNB-VIFPVBQESA-N 1 1 316.325 0.819 20 5 DCBDMO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@H+]1CC=C[C@@H]1CO ZINC001593480561 1167868876 /nfs/dbraw/zinc/86/88/76/1167868876.db2.gz BSPULSDNZCEMOT-SECBINFHSA-N 1 1 302.294 0.508 20 5 DCBDMO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1CC=C[C@@H]1CO ZINC001593480561 1167868884 /nfs/dbraw/zinc/86/88/84/1167868884.db2.gz BSPULSDNZCEMOT-SECBINFHSA-N 1 1 302.294 0.508 20 5 DCBDMO CC1(C)C[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C[C@@H]1O ZINC001609146462 1170826087 /nfs/dbraw/zinc/82/60/87/1170826087.db2.gz ILRQYYBDCVXTRS-LBPRGKRZSA-N 1 1 318.337 0.978 20 5 DCBDMO C[N@H+]1CCCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC001609285470 1170912396 /nfs/dbraw/zinc/91/23/96/1170912396.db2.gz XZSIGEJSHSVMDC-UHFFFAOYSA-N 1 1 303.326 0.917 20 5 DCBDMO C[N@H+]1CC[C@H]2CN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC[C@H]21 ZINC001612770334 1171364249 /nfs/dbraw/zinc/36/42/49/1171364249.db2.gz ZFEPJTWAOQFZEY-JOYOIKCWSA-N 1 1 305.338 0.619 20 5 DCBDMO C[C@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCN1C ZINC001618099949 1171395155 /nfs/dbraw/zinc/39/51/55/1171395155.db2.gz QPGQJCJKHUVBPZ-CABZTGNLSA-N 1 1 323.353 0.060 20 5 DCBDMO Nc1ncc(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC001618433174 1171396986 /nfs/dbraw/zinc/39/69/86/1171396986.db2.gz QKXPOARIBHWGCM-UHFFFAOYSA-N 1 1 317.309 0.258 20 5 DCBDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001628764006 1171536058 /nfs/dbraw/zinc/53/60/58/1171536058.db2.gz PVYSHTSCJSOLAH-IAQYHMDHSA-N 1 1 322.365 0.578 20 5 DCBDMO Cc1nc(N(C)CCC[NH+]2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC001642282444 1171941023 /nfs/dbraw/zinc/94/10/23/1171941023.db2.gz PWXLCSOJAMJCQL-UHFFFAOYSA-N 1 1 308.386 0.767 20 5 DCBDMO C[N@H+]1CC[C@@H]1CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC001646089724 1172248037 /nfs/dbraw/zinc/24/80/37/1172248037.db2.gz NYKOCSJBPWEFIC-LLVKDONJSA-N 1 1 307.306 0.606 20 5 DCBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2C[C@H](CO)[C@@H](CCO)C2)cc1 ZINC001648634894 1173077880 /nfs/dbraw/zinc/07/78/80/1173077880.db2.gz KSSICFLYQUBPLM-GZBFAFLISA-N 1 1 310.350 0.551 20 5 DCBDMO CCOC(=O)[C@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001654956914 1173813493 /nfs/dbraw/zinc/81/34/93/1173813493.db2.gz XUVJQOMPMAWMHH-CMPLNLGQSA-N 1 1 312.326 0.037 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](c3cnccn3)C2)c1 ZINC001655712532 1173826392 /nfs/dbraw/zinc/82/63/92/1173826392.db2.gz HJMVMCIWFGQPDK-DGCLKSJQSA-N 1 1 318.337 0.432 20 5 DCBDMO C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCOCC(F)(F)F ZINC001713451527 1180831412 /nfs/dbraw/zinc/83/14/12/1180831412.db2.gz KAZMLRUTNQYAKX-RKDXNWHRSA-N 1 1 313.276 0.279 20 5 DCBDMO C[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCOCC(F)(F)F ZINC001713451527 1180831421 /nfs/dbraw/zinc/83/14/21/1180831421.db2.gz KAZMLRUTNQYAKX-RKDXNWHRSA-N 1 1 313.276 0.279 20 5 DCBDMO C[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCOCC(F)(F)F ZINC001713451527 1180831432 /nfs/dbraw/zinc/83/14/32/1180831432.db2.gz KAZMLRUTNQYAKX-RKDXNWHRSA-N 1 1 313.276 0.279 20 5 DCBDMO CN(CC[N@@H+](C)CCc1ccnn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001715820152 1182027353 /nfs/dbraw/zinc/02/73/53/1182027353.db2.gz SGSKCRPSLIABAB-CHWSQXEVSA-N 1 1 309.370 0.018 20 5 DCBDMO CN(CC[N@H+](C)CCc1ccnn1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001715820152 1182027359 /nfs/dbraw/zinc/02/73/59/1182027359.db2.gz SGSKCRPSLIABAB-CHWSQXEVSA-N 1 1 309.370 0.018 20 5 DCBDMO CN(CC[N@@H+](C)CCc1ccnn1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001715820152 1182027365 /nfs/dbraw/zinc/02/73/65/1182027365.db2.gz SGSKCRPSLIABAB-CHWSQXEVSA-N 1 1 309.370 0.018 20 5 DCBDMO COC(=O)c1cnc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000357711393 719383997 /nfs/dbraw/zinc/38/39/97/719383997.db2.gz UHNQIHOAVRIXAR-NWDGAFQWSA-N 1 1 322.321 0.296 20 5 DCBDMO COc1nc(C)c([N+](=O)[O-])c(N2CCc3[nH+]ccn3CC2)n1 ZINC001167182851 747012431 /nfs/dbraw/zinc/01/24/31/747012431.db2.gz YGHZOXUGRIJMDZ-UHFFFAOYSA-N 1 1 304.310 0.961 20 5 DCBDMO Cc1ccn(C)c1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001126256018 748344003 /nfs/dbraw/zinc/34/40/03/748344003.db2.gz VLEYJKGXEJPKSM-UHFFFAOYSA-N 1 1 320.353 0.495 20 5 DCBDMO CCc1cccc(OCC[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001126943141 750155707 /nfs/dbraw/zinc/15/57/07/750155707.db2.gz MQBARYYKLTXEQD-HUUCEWRRSA-N 1 1 321.377 0.999 20 5 DCBDMO CC(=O)NCCC[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC001096242793 754504742 /nfs/dbraw/zinc/50/47/42/754504742.db2.gz GOIKMZBMYXPZCV-UHFFFAOYSA-N 1 1 321.381 0.946 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1cccc(F)c1 ZINC001122883276 767887983 /nfs/dbraw/zinc/88/79/83/767887983.db2.gz MFAVBGZPVPEIEO-UHFFFAOYSA-N 1 1 321.312 0.987 20 5 DCBDMO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2C[C@](O)(C(F)(F)F)C[C@H]2CO)C1 ZINC001169013446 760544409 /nfs/dbraw/zinc/54/44/09/760544409.db2.gz VHHBWXQVFVMWBJ-NAKRPEOUSA-N 1 1 312.288 0.792 20 5 DCBDMO O=C1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1C1CCOCC1 ZINC001169036529 760554722 /nfs/dbraw/zinc/55/47/22/760554722.db2.gz PCOLQKZHGCNTPW-JSGCOSHPSA-N 1 1 311.382 0.755 20 5 DCBDMO O=C1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1C1CCOCC1 ZINC001169036529 760554726 /nfs/dbraw/zinc/55/47/26/760554726.db2.gz PCOLQKZHGCNTPW-JSGCOSHPSA-N 1 1 311.382 0.755 20 5 DCBDMO Cc1noc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)c1C ZINC001130066071 763108211 /nfs/dbraw/zinc/10/82/11/763108211.db2.gz GAVNBYJWEWENFZ-UHFFFAOYSA-N 1 1 322.325 0.453 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)C(C)(C)C1CC1 ZINC001132671648 764574735 /nfs/dbraw/zinc/57/47/35/764574735.db2.gz YZNAEFXBOQLZCD-UHFFFAOYSA-N 1 1 309.370 0.970 20 5 DCBDMO Cc1nn(C)c(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC001116487214 765876072 /nfs/dbraw/zinc/87/60/72/765876072.db2.gz XMWLQSUMXAWFKX-MNOVXSKESA-N 1 1 307.354 0.993 20 5 DCBDMO Cc1n[nH]c(C)c1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001135421044 765933633 /nfs/dbraw/zinc/93/36/33/765933633.db2.gz NCRUHAMFTBEMSF-UHFFFAOYSA-N 1 1 321.341 0.188 20 5 DCBDMO COc1cc2ncnc(N[C@H](N)CCC[NH3+])c2cc1[N+](=O)[O-] ZINC001159784396 766266376 /nfs/dbraw/zinc/26/63/76/766266376.db2.gz IGZNFCKJYFBXCP-LBPRGKRZSA-N 1 1 306.326 0.982 20 5 DCBDMO O=C(NCC[NH+]1CCSCC1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001136727446 766475717 /nfs/dbraw/zinc/47/57/17/766475717.db2.gz KZZPPLMQFSVKPA-UHFFFAOYSA-N 1 1 319.774 0.750 20 5 DCBDMO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001121697589 767621993 /nfs/dbraw/zinc/62/19/93/767621993.db2.gz CUDRYGULWJUHSS-GHMZBOCLSA-N 1 1 310.358 0.157 20 5 DCBDMO CCn1c([C@@H](C)[N+](=O)[O-])nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001121697589 767621995 /nfs/dbraw/zinc/62/19/95/767621995.db2.gz CUDRYGULWJUHSS-GHMZBOCLSA-N 1 1 310.358 0.157 20 5 DCBDMO CCC[N@@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC001093171314 768479536 /nfs/dbraw/zinc/47/95/36/768479536.db2.gz XQDSDPDBIXJUBX-UHFFFAOYSA-N 1 1 321.381 0.980 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CC(N)=O)C1CCOCC1 ZINC001175783450 769962636 /nfs/dbraw/zinc/96/26/36/769962636.db2.gz RWLRWPSWYUVFJT-UHFFFAOYSA-N 1 1 311.342 0.066 20 5 DCBDMO C[C@H]1Cc2n[nH]cc2C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001176143842 770031125 /nfs/dbraw/zinc/03/11/25/770031125.db2.gz AXHHRAAELKXCJV-GWCFXTLKSA-N 1 1 320.353 0.570 20 5 DCBDMO C[C@H]1Cc2n[nH]cc2C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001176143844 770031618 /nfs/dbraw/zinc/03/16/18/770031618.db2.gz AXHHRAAELKXCJV-GXFFZTMASA-N 1 1 320.353 0.570 20 5 DCBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)n1 ZINC001155569576 770546646 /nfs/dbraw/zinc/54/66/46/770546646.db2.gz HLXBXAKRZGGNPI-KGFZYKRKSA-N 1 1 312.717 0.337 20 5 DCBDMO CCOCC[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178450100 770745146 /nfs/dbraw/zinc/74/51/46/770745146.db2.gz SAKYXPMCXNZWAP-CHWSQXEVSA-N 1 1 301.387 0.954 20 5 DCBDMO Cn1ccc(C[NH2+]CCCCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001178458663 770759900 /nfs/dbraw/zinc/75/99/00/770759900.db2.gz QQDYJRQVFZORFZ-ZIAGYGMSSA-N 1 1 323.397 0.852 20 5 DCBDMO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC([NH2+]C2COC2)C1 ZINC001157594340 771638874 /nfs/dbraw/zinc/63/88/74/771638874.db2.gz CIYYZCWVMNCZLB-UHFFFAOYSA-N 1 1 322.277 0.316 20 5 DCBDMO C[NH+](C)C=Cc1cc(-n2[n-]c(=O)nc2C[NH3+])ncc1[N+](=O)[O-] ZINC001157940626 771698686 /nfs/dbraw/zinc/69/86/86/771698686.db2.gz FDHNQTZECJZNPA-ONEGZZNKSA-N 1 1 305.298 0.267 20 5 DCBDMO O=c1cc(CNc2cnc([N+](=O)[O-])cn2)nc2n1CCC[NH2+]C2 ZINC001163118754 772466604 /nfs/dbraw/zinc/46/66/04/772466604.db2.gz YWKYBRSQSCUERP-UHFFFAOYSA-N 1 1 317.309 0.047 20 5 DCBDMO O=[N+]([O-])c1ccc2ncnc(NC[C@]3(CO)COCC[NH2+]3)c2c1 ZINC001164046698 772608858 /nfs/dbraw/zinc/60/88/58/772608858.db2.gz PVQXDVVXXFNJIK-AWEZNQCLSA-N 1 1 319.321 0.301 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cnc(N)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001164284525 772636648 /nfs/dbraw/zinc/63/66/48/772636648.db2.gz HFKPXXUOQLQYLS-KOLCDFICSA-N 1 1 305.338 0.596 20 5 DCBDMO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CCS(N)(=O)=O ZINC001197483306 773751914 /nfs/dbraw/zinc/75/19/14/773751914.db2.gz PZYKNJQKDIGEFC-UHFFFAOYSA-N 1 1 303.340 0.194 20 5 DCBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCS(N)(=O)=O ZINC001197483306 773751918 /nfs/dbraw/zinc/75/19/18/773751918.db2.gz PZYKNJQKDIGEFC-UHFFFAOYSA-N 1 1 303.340 0.194 20 5 DCBDMO CCOCCC[NH+]1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001223114928 775464743 /nfs/dbraw/zinc/46/47/43/775464743.db2.gz XJGIUVJJBKFOMA-ZIAGYGMSSA-N 1 1 313.398 0.906 20 5 DCBDMO O=C(NC1CC[NH+](CCOCC2CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001227258333 775951614 /nfs/dbraw/zinc/95/16/14/775951614.db2.gz OIJPCVMYYMTPSS-ZIAGYGMSSA-N 1 1 311.382 0.659 20 5 DCBDMO CC(=O)NCC(=O)N(C)CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001271949953 941489054 /nfs/dbraw/zinc/48/90/54/941489054.db2.gz FEKLKYUFLYNKDS-UHFFFAOYSA-N 1 1 322.365 0.621 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(O)(C[NH2+]CC2CCC2)CC1 ZINC001484953480 943636248 /nfs/dbraw/zinc/63/62/48/943636248.db2.gz UNSOESHSAYVUJN-CHWSQXEVSA-N 1 1 311.382 0.395 20 5 DCBDMO O=[N+]([O-])c1cc(F)cnc1-c1noc(C[C@@H]2CNCC[NH2+]2)n1 ZINC001248362738 945601335 /nfs/dbraw/zinc/60/13/35/945601335.db2.gz NNAIFZMDUWCIII-MRVPVSSYSA-N 1 1 308.273 0.283 20 5 DCBDMO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3C[C@@H](O)[C@H](CO)C3)CC2)cc1 ZINC001254474448 946397235 /nfs/dbraw/zinc/39/72/35/946397235.db2.gz QPZIBAGPRPONEB-BLLLJJGKSA-N 1 1 321.377 0.849 20 5 DCBDMO O=C1COC[C@H]2C[N@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CCN12 ZINC001254609867 946414890 /nfs/dbraw/zinc/41/48/90/946414890.db2.gz ZTCRXMJGNCLYPE-LSDHHAIUSA-N 1 1 317.345 0.605 20 5 DCBDMO O=C1COC[C@H]2C[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CCN12 ZINC001254609867 946414895 /nfs/dbraw/zinc/41/48/95/946414895.db2.gz ZTCRXMJGNCLYPE-LSDHHAIUSA-N 1 1 317.345 0.605 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(CNC(=O)C2(C)CC2)CC1 ZINC001323445225 947085381 /nfs/dbraw/zinc/08/53/81/947085381.db2.gz VQCVNBVDSXXPAF-UHFFFAOYSA-N 1 1 307.354 0.867 20 5 DCBDMO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001330487011 950450870 /nfs/dbraw/zinc/45/08/70/950450870.db2.gz IPIVITCIKKOHQH-NWDGAFQWSA-N 1 1 306.322 0.271 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001334111430 952241950 /nfs/dbraw/zinc/24/19/50/952241950.db2.gz QJRLDPISKOIETQ-NWDGAFQWSA-N 1 1 307.354 0.843 20 5 DCBDMO C[NH+](C)[C@@H]1C[C@@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC001335485170 952543999 /nfs/dbraw/zinc/54/39/99/952543999.db2.gz KVYIAANPIXSRJU-MGPQQGTHSA-N 1 1 323.397 0.615 20 5 DCBDMO Cc1ccncc1C[NH2+]CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001276002776 952607471 /nfs/dbraw/zinc/60/74/71/952607471.db2.gz YQUAQOYKBKNIGC-ZIAGYGMSSA-N 1 1 306.366 0.993 20 5 DCBDMO CN1CCN(CCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001335880432 952614417 /nfs/dbraw/zinc/61/44/17/952614417.db2.gz BGKMANAWNYEEDJ-MRXNPFEDSA-N 1 1 322.409 0.855 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[NH+]1CC=CC1 ZINC001338693678 953043011 /nfs/dbraw/zinc/04/30/11/953043011.db2.gz LOSDZWSMABRINF-UHFFFAOYSA-N 1 1 318.333 0.830 20 5 DCBDMO Cc1c(CNC(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)cccc1[N+](=O)[O-] ZINC001346843164 953968814 /nfs/dbraw/zinc/96/88/14/953968814.db2.gz MJZXKRCXLAIYFI-NHYWBVRUSA-N 1 1 318.377 0.908 20 5 DCBDMO C[NH+]1CC(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])CC2)C1 ZINC001347362181 954077878 /nfs/dbraw/zinc/07/78/78/954077878.db2.gz KEQRVFJUFMGOTQ-UHFFFAOYSA-N 1 1 320.349 0.372 20 5 DCBDMO Cc1nn(C)c(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)c1[N+](=O)[O-] ZINC001353285180 956004320 /nfs/dbraw/zinc/00/43/20/956004320.db2.gz KHAVWVMNYRTPNA-GMTAPVOTSA-N 1 1 307.354 0.707 20 5 DCBDMO Cc1ccc(NC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)c(N)c1[N+](=O)[O-] ZINC001304497194 960086788 /nfs/dbraw/zinc/08/67/88/960086788.db2.gz DYHNNAMOHIVKKW-XPTSAGLGSA-N 1 1 308.338 0.879 20 5 DCBDMO Cc1ccc(NC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)c(N)c1[N+](=O)[O-] ZINC001304497194 960086799 /nfs/dbraw/zinc/08/67/99/960086799.db2.gz DYHNNAMOHIVKKW-XPTSAGLGSA-N 1 1 308.338 0.879 20 5 DCBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC001308021587 960163506 /nfs/dbraw/zinc/16/35/06/960163506.db2.gz NOJGLSXWVBZFKN-SDDRHHMPSA-N 1 1 323.349 0.454 20 5 DCBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC001308021587 960163512 /nfs/dbraw/zinc/16/35/12/960163512.db2.gz NOJGLSXWVBZFKN-SDDRHHMPSA-N 1 1 323.349 0.454 20 5 DCBDMO C[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC001465946111 1016036761 /nfs/dbraw/zinc/03/67/61/1016036761.db2.gz XRSIXPJQWFIWLF-GWCFXTLKSA-N 1 1 322.369 0.168 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)n1 ZINC001468318134 1016243913 /nfs/dbraw/zinc/24/39/13/1016243913.db2.gz YPIFPXYGGKTKEX-LBPRGKRZSA-N 1 1 322.365 0.875 20 5 DCBDMO CCn1ccnc1C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001474258874 1017009687 /nfs/dbraw/zinc/00/96/87/1017009687.db2.gz RGGVNGORIFSPTN-UKRRQHHQSA-N 1 1 320.349 0.995 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001442676076 1009608707 /nfs/dbraw/zinc/60/87/07/1009608707.db2.gz ZLDBBDDJHUIOBD-NEPJUHHUSA-N 1 1 323.353 0.079 20 5 DCBDMO 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1 324.385 0.822 20 5 DCBDMO NC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248470404 395988593 /nfs/dbraw/zinc/98/85/93/395988593.db2.gz VAKAYXCMWINYNK-JQWIXIFHSA-N 1 1 309.322 0.284 20 5 DCBDMO NC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248470404 395988596 /nfs/dbraw/zinc/98/85/96/395988596.db2.gz VAKAYXCMWINYNK-JQWIXIFHSA-N 1 1 309.322 0.284 20 5 DCBDMO CC[N@@H+]1CCO[C@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000174443232 396137752 /nfs/dbraw/zinc/13/77/52/396137752.db2.gz VQPHHJHDLWJHJE-AWEZNQCLSA-N 1 1 322.365 0.844 20 5 DCBDMO CC[N@H+]1CCO[C@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000174443232 396137753 /nfs/dbraw/zinc/13/77/53/396137753.db2.gz VQPHHJHDLWJHJE-AWEZNQCLSA-N 1 1 322.365 0.844 20 5 DCBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H]1C ZINC000176909361 396162870 /nfs/dbraw/zinc/16/28/70/396162870.db2.gz DGDCAFYZQQDYLZ-WDEREUQCSA-N 1 1 322.365 0.704 20 5 DCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H]1C ZINC000176909361 396162873 /nfs/dbraw/zinc/16/28/73/396162873.db2.gz DGDCAFYZQQDYLZ-WDEREUQCSA-N 1 1 322.365 0.704 20 5 DCBDMO CC[N@@H+](CCO)CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000183948038 396279296 /nfs/dbraw/zinc/27/92/96/396279296.db2.gz XSEGZLCXHWAWAG-UHFFFAOYSA-N 1 1 321.337 0.515 20 5 DCBDMO CC[N@H+](CCO)CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000183948038 396279300 /nfs/dbraw/zinc/27/93/00/396279300.db2.gz XSEGZLCXHWAWAG-UHFFFAOYSA-N 1 1 321.337 0.515 20 5 DCBDMO CC[N@@H+](CCO)CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000183948038 396279303 /nfs/dbraw/zinc/27/93/03/396279303.db2.gz XSEGZLCXHWAWAG-UHFFFAOYSA-N 1 1 321.337 0.515 20 5 DCBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000264639797 396298690 /nfs/dbraw/zinc/29/86/90/396298690.db2.gz FCYLWWPKLHXJRK-CYBMUJFWSA-N 1 1 322.365 0.336 20 5 DCBDMO C[N@H+](CCC(N)=O)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000286299398 396386581 /nfs/dbraw/zinc/38/65/81/396386581.db2.gz DGZFBYORTBEBFO-UHFFFAOYSA-N 1 1 306.322 0.291 20 5 DCBDMO C[N@@H+](CCC(N)=O)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000286299398 396386583 /nfs/dbraw/zinc/38/65/83/396386583.db2.gz DGZFBYORTBEBFO-UHFFFAOYSA-N 1 1 306.322 0.291 20 5 DCBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000290862452 396474423 /nfs/dbraw/zinc/47/44/23/396474423.db2.gz IPYYIVRHXQVDBL-GFCCVEGCSA-N 1 1 324.381 0.993 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292245038 396539420 /nfs/dbraw/zinc/53/94/20/396539420.db2.gz OMECNYPGPCEFGT-AWEZNQCLSA-N 1 1 307.354 0.654 20 5 DCBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000372956099 396556333 /nfs/dbraw/zinc/55/63/33/396556333.db2.gz OOPWZRGBZXJSJN-RYUDHWBXSA-N 1 1 321.333 0.893 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c1 ZINC000595633108 396640960 /nfs/dbraw/zinc/64/09/60/396640960.db2.gz MHXPOGXMYKCXEO-XCCSTKFXSA-N 1 1 310.354 0.245 20 5 DCBDMO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588860138 396695680 /nfs/dbraw/zinc/69/56/80/396695680.db2.gz DXSONEYXJHTPMU-ZIAGYGMSSA-N 1 1 319.361 0.805 20 5 DCBDMO C[C@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)[NH+]1CCN(C)CC1 ZINC000596104778 396717616 /nfs/dbraw/zinc/71/76/16/396717616.db2.gz NGBVUZPHCCBQHK-LLVKDONJSA-N 1 1 321.381 0.742 20 5 DCBDMO CC[N@@H+](C)C[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304326734 396729844 /nfs/dbraw/zinc/72/98/44/396729844.db2.gz SVRHNZZURZSZDB-GXTWGEPZSA-N 1 1 311.386 0.426 20 5 DCBDMO NC(=O)c1cc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1[N+](=O)[O-] ZINC000596257321 396745978 /nfs/dbraw/zinc/74/59/78/396745978.db2.gz JKPOBPBBSSVZDL-TXEJJXNPSA-N 1 1 320.349 0.969 20 5 DCBDMO Cc1ccc(C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)nc1 ZINC000590754392 396832270 /nfs/dbraw/zinc/83/22/70/396832270.db2.gz DSUPACFDPBYVRR-CQSZACIVSA-N 1 1 305.338 0.988 20 5 DCBDMO C[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000611528860 396881433 /nfs/dbraw/zinc/88/14/33/396881433.db2.gz OYLUBUGQWUJRIG-BXKDBHETSA-N 1 1 308.338 0.626 20 5 DCBDMO C[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000611528860 396881440 /nfs/dbraw/zinc/88/14/40/396881440.db2.gz OYLUBUGQWUJRIG-BXKDBHETSA-N 1 1 308.338 0.626 20 5 DCBDMO Cn1ccnc1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000572112549 397021624 /nfs/dbraw/zinc/02/16/24/397021624.db2.gz OVJNTFABIFPBNK-LBPRGKRZSA-N 1 1 306.322 0.858 20 5 DCBDMO C[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000572461759 397060349 /nfs/dbraw/zinc/06/03/49/397060349.db2.gz ODOLPABVMALZSY-IAQYHMDHSA-N 1 1 307.350 0.881 20 5 DCBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000612789047 397138370 /nfs/dbraw/zinc/13/83/70/397138370.db2.gz HMDLKFVORJQKBO-LBPRGKRZSA-N 1 1 320.353 0.303 20 5 DCBDMO CS(=O)(=O)N1CC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000400144935 397315926 /nfs/dbraw/zinc/31/59/26/397315926.db2.gz NDERUKFXYNFPJM-SECBINFHSA-N 1 1 305.381 0.780 20 5 DCBDMO CC(C)N1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000387326597 397294402 /nfs/dbraw/zinc/29/44/02/397294402.db2.gz CJGUUNMDLHNGDZ-CQSZACIVSA-N 1 1 311.386 0.615 20 5 DCBDMO COC(=O)c1ccnc(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000598632569 397264822 /nfs/dbraw/zinc/26/48/22/397264822.db2.gz GOJPGRITAKCYMG-GXSJLCMTSA-N 1 1 306.322 0.917 20 5 DCBDMO Cc1cc(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000593853819 397455924 /nfs/dbraw/zinc/45/59/24/397455924.db2.gz FQQXHTVTSAGNQY-CYBMUJFWSA-N 1 1 305.334 0.794 20 5 DCBDMO Cc1cc(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000593853819 397455927 /nfs/dbraw/zinc/45/59/27/397455927.db2.gz FQQXHTVTSAGNQY-CYBMUJFWSA-N 1 1 305.334 0.794 20 5 DCBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000593854408 397456208 /nfs/dbraw/zinc/45/62/08/397456208.db2.gz JRLLJOAHJZCBGP-GFCCVEGCSA-N 1 1 305.334 0.794 20 5 DCBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC000593854408 397456211 /nfs/dbraw/zinc/45/62/11/397456211.db2.gz JRLLJOAHJZCBGP-GFCCVEGCSA-N 1 1 305.334 0.794 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000602810615 397491220 /nfs/dbraw/zinc/49/12/20/397491220.db2.gz HFUREBDPJGOBEY-NEPJUHHUSA-N 1 1 311.386 0.487 20 5 DCBDMO COCC[N@@H+](C)C[C@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000593962651 397487412 /nfs/dbraw/zinc/48/74/12/397487412.db2.gz VRQCXPRMTLOFRV-INIZCTEOSA-N 1 1 323.393 0.892 20 5 DCBDMO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000579953668 397599727 /nfs/dbraw/zinc/59/97/27/397599727.db2.gz BYINCDIEEMCMAP-ZWKOPEQDSA-N 1 1 309.322 0.925 20 5 DCBDMO COCC[N@H+]1CCC[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000609269889 397768027 /nfs/dbraw/zinc/76/80/27/397768027.db2.gz YYZOUZBEIZGOHJ-LLVKDONJSA-N 1 1 311.342 0.018 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000610336521 397814526 /nfs/dbraw/zinc/81/45/26/397814526.db2.gz VCSOJKQIBAZLQL-OCCSQVGLSA-N 1 1 320.353 0.686 20 5 DCBDMO O=[N+]([O-])c1cnn(CCN2CCC[N@@H+](C[C@H]3CCCO3)CC2)c1 ZINC000610447937 397822213 /nfs/dbraw/zinc/82/22/13/397822213.db2.gz WGSGYZQKXCBRGB-OAHLLOKOSA-N 1 1 323.397 0.978 20 5 DCBDMO C[NH2+]C[C@H](C)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000124103404 158238261 /nfs/dbraw/zinc/23/82/61/158238261.db2.gz XZCOMUPPMHBXHJ-QMMMGPOBSA-N 1 1 305.331 0.868 20 5 DCBDMO [NH3+]C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000124646238 158245587 /nfs/dbraw/zinc/24/55/87/158245587.db2.gz OEHKSLQBXLVFJH-SECBINFHSA-N 1 1 303.315 0.750 20 5 DCBDMO [NH3+]C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000124646024 158245624 /nfs/dbraw/zinc/24/56/24/158245624.db2.gz OEHKSLQBXLVFJH-VIFPVBQESA-N 1 1 303.315 0.750 20 5 DCBDMO O=C(CC[N@@H+]1C[C@@H](O)C[C@H]1CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000186503283 158531970 /nfs/dbraw/zinc/53/19/70/158531970.db2.gz RSUHKHOMLUHFTN-STQMWFEESA-N 1 1 309.322 0.351 20 5 DCBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000323071825 159012499 /nfs/dbraw/zinc/01/24/99/159012499.db2.gz ONDBGLYCFMFMQU-KOLCDFICSA-N 1 1 321.337 0.165 20 5 DCBDMO CC[N@H+]1C[C@H](C)N(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000330588478 159198214 /nfs/dbraw/zinc/19/82/14/159198214.db2.gz UEDCRTRZWWYGCB-MBNYWOFBSA-N 1 1 311.386 0.567 20 5 DCBDMO CCN1C[C@H](C)[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000330588478 159198216 /nfs/dbraw/zinc/19/82/16/159198216.db2.gz UEDCRTRZWWYGCB-MBNYWOFBSA-N 1 1 311.386 0.567 20 5 DCBDMO CCN1C[C@H](C)[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000330588478 159198217 /nfs/dbraw/zinc/19/82/17/159198217.db2.gz UEDCRTRZWWYGCB-MBNYWOFBSA-N 1 1 311.386 0.567 20 5 DCBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)n1 ZINC000408370122 160093903 /nfs/dbraw/zinc/09/39/03/160093903.db2.gz HFPWTCYCZPHIOK-GHMZBOCLSA-N 1 1 307.354 0.977 20 5 DCBDMO COC(=O)CC[N@@H+]1CCN(c2ncc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000273919310 415321747 /nfs/dbraw/zinc/32/17/47/415321747.db2.gz JLHDVZXCPZNMFL-JTQLQIEISA-N 1 1 309.326 0.458 20 5 DCBDMO COC(=O)CC[N@H+]1CCN(c2ncc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000273919310 415321756 /nfs/dbraw/zinc/32/17/56/415321756.db2.gz JLHDVZXCPZNMFL-JTQLQIEISA-N 1 1 309.326 0.458 20 5 DCBDMO Cc1c(NC(=O)CC[N@H+](C)[C@@H]2COC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000352820524 415336975 /nfs/dbraw/zinc/33/69/75/415336975.db2.gz YXZAFDBSSAJBGB-KGLIPLIRSA-N 1 1 323.349 0.923 20 5 DCBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000281585988 415553621 /nfs/dbraw/zinc/55/36/21/415553621.db2.gz MVZCNAGGVIAACF-VHSXEESVSA-N 1 1 324.337 0.223 20 5 DCBDMO COc1cc(OCC(=O)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000102749189 415599726 /nfs/dbraw/zinc/59/97/26/415599726.db2.gz GWCFIWDQNLTBQU-UHFFFAOYSA-N 1 1 309.322 0.756 20 5 DCBDMO C[C@@H](O)C[N@H+](CCO)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000289936724 415738224 /nfs/dbraw/zinc/73/82/24/415738224.db2.gz VEHICTWLMQDHDJ-LLVKDONJSA-N 1 1 311.338 0.233 20 5 DCBDMO C[C@@H](O)C[N@@H+](CCO)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000289936724 415738231 /nfs/dbraw/zinc/73/82/31/415738231.db2.gz VEHICTWLMQDHDJ-LLVKDONJSA-N 1 1 311.338 0.233 20 5 DCBDMO CO[C@H]1COC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000290138655 415766476 /nfs/dbraw/zinc/76/64/76/415766476.db2.gz MLERXDDRERESQD-STQMWFEESA-N 1 1 310.306 0.965 20 5 DCBDMO C[N@@H+]1CCO[C@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000344215970 415868760 /nfs/dbraw/zinc/86/87/60/415868760.db2.gz IESVLYMOBNWGPD-ZDUSSCGKSA-N 1 1 308.338 0.454 20 5 DCBDMO C[N@H+]1CCO[C@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000344215970 415868765 /nfs/dbraw/zinc/86/87/65/415868765.db2.gz IESVLYMOBNWGPD-ZDUSSCGKSA-N 1 1 308.338 0.454 20 5 DCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000127852831 415890839 /nfs/dbraw/zinc/89/08/39/415890839.db2.gz BVADPJGUAHOFDG-QWRGUYRKSA-N 1 1 307.354 0.885 20 5 DCBDMO C[C@H](O)C[N@@H+](CCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298509300 416012028 /nfs/dbraw/zinc/01/20/28/416012028.db2.gz KNRSOHYMEWYXAX-NSHDSACASA-N 1 1 311.338 0.599 20 5 DCBDMO CCN1CCN([C@@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000175212693 416099055 /nfs/dbraw/zinc/09/90/55/416099055.db2.gz DWTLZPBYTNAJNB-CQSZACIVSA-N 1 1 322.413 0.503 20 5 DCBDMO CCN1CCN([C@@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000175212693 416099060 /nfs/dbraw/zinc/09/90/60/416099060.db2.gz DWTLZPBYTNAJNB-CQSZACIVSA-N 1 1 322.413 0.503 20 5 DCBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCC(CO)CC1 ZINC000305252745 416104238 /nfs/dbraw/zinc/10/42/38/416104238.db2.gz VPFBBAUYIBZXJX-YIZWMMSDSA-N 1 1 312.370 0.635 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000358065165 416185206 /nfs/dbraw/zinc/18/52/06/416185206.db2.gz MSFRKOOIOVZSQW-AWEZNQCLSA-N 1 1 309.322 0.156 20 5 DCBDMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000331423125 416311605 /nfs/dbraw/zinc/31/16/05/416311605.db2.gz XGJNUTHTHGRTIJ-LLVKDONJSA-N 1 1 308.338 0.717 20 5 DCBDMO C[C@@H]1CN(CC[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000195306178 416325982 /nfs/dbraw/zinc/32/59/82/416325982.db2.gz KSIUKZXQUSMCAG-BETUJISGSA-N 1 1 311.386 0.832 20 5 DCBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H](O)C[NH+](C)C ZINC000361215244 416426045 /nfs/dbraw/zinc/42/60/45/416426045.db2.gz IEKWMJBNDPAGDB-RISCZKNCSA-N 1 1 324.381 0.824 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000361426916 416436284 /nfs/dbraw/zinc/43/62/84/416436284.db2.gz QYOLHVQGMDEMKW-SNVBAGLBSA-N 1 1 317.292 0.706 20 5 DCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000361426916 416436285 /nfs/dbraw/zinc/43/62/85/416436285.db2.gz QYOLHVQGMDEMKW-SNVBAGLBSA-N 1 1 317.292 0.706 20 5 DCBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccnc(N)c1[N+](=O)[O-])C2 ZINC000597709728 416597434 /nfs/dbraw/zinc/59/74/34/416597434.db2.gz ANNPRQQBBWUGBH-HNNXBMFYSA-N 1 1 319.365 1.130 20 5 DCBDMO C[C@H]1CC(=O)NCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000369441470 416776490 /nfs/dbraw/zinc/77/64/90/416776490.db2.gz ULFKYDQIHLIRFZ-WCQYABFASA-N 1 1 323.349 0.545 20 5 DCBDMO C[C@@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000565431188 416975700 /nfs/dbraw/zinc/97/57/00/416975700.db2.gz IAKSMQBBDHHHHF-JTQLQIEISA-N 1 1 319.365 1.128 20 5 DCBDMO O=[N+]([O-])c1cccc(N2CCN(CCN3CC[NH2+]CC3)CC2)c1 ZINC000565428801 416976853 /nfs/dbraw/zinc/97/68/53/416976853.db2.gz RLILUYIKFPQNBH-UHFFFAOYSA-N 1 1 319.409 0.622 20 5 DCBDMO C[C@H]1C[N@@H+](CCCNc2ncc([N+](=O)[O-])c(N)n2)CCCO1 ZINC000432872285 417209503 /nfs/dbraw/zinc/20/95/03/417209503.db2.gz LQFXYUXDWDLHJF-JTQLQIEISA-N 1 1 310.358 0.302 20 5 DCBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@H](C)C1 ZINC000527253262 417227728 /nfs/dbraw/zinc/22/77/28/417227728.db2.gz KHDHVFSLFGRYAY-MNOVXSKESA-N 1 1 310.354 0.460 20 5 DCBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@H](C)C1 ZINC000527253262 417227736 /nfs/dbraw/zinc/22/77/36/417227736.db2.gz KHDHVFSLFGRYAY-MNOVXSKESA-N 1 1 310.354 0.460 20 5 DCBDMO COC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@H+](C)C1 ZINC000413925438 417253588 /nfs/dbraw/zinc/25/35/88/417253588.db2.gz UPVHSQUCEIWCDH-VIFPVBQESA-N 1 1 310.310 0.100 20 5 DCBDMO COC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@@H+](C)C1 ZINC000413925438 417253594 /nfs/dbraw/zinc/25/35/94/417253594.db2.gz UPVHSQUCEIWCDH-VIFPVBQESA-N 1 1 310.310 0.100 20 5 DCBDMO CNC(=O)CCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000569470099 417258756 /nfs/dbraw/zinc/25/87/56/417258756.db2.gz GUFCFDRWMFNHBC-UHFFFAOYSA-N 1 1 307.354 0.638 20 5 DCBDMO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000571230904 417438496 /nfs/dbraw/zinc/43/84/96/417438496.db2.gz DSXNYZZISNBJJC-UHFFFAOYSA-N 1 1 318.293 0.381 20 5 DCBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452374574 417477729 /nfs/dbraw/zinc/47/77/29/417477729.db2.gz WZWVDBDVQUDZLL-JTQLQIEISA-N 1 1 323.353 0.149 20 5 DCBDMO O=C1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2(CCC2)C1 ZINC000576477333 417614531 /nfs/dbraw/zinc/61/45/31/417614531.db2.gz VEVRUAZOASGBBR-ZDUSSCGKSA-N 1 1 308.338 0.740 20 5 DCBDMO O=C1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2(CCC2)C1 ZINC000576477333 417614534 /nfs/dbraw/zinc/61/45/34/417614534.db2.gz VEVRUAZOASGBBR-ZDUSSCGKSA-N 1 1 308.338 0.740 20 5 DCBDMO COC(=O)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[N@H+](C)C1 ZINC000413500871 262214945 /nfs/dbraw/zinc/21/49/45/262214945.db2.gz OSTDNAHGDJUGRO-VIFPVBQESA-N 1 1 312.301 0.670 20 5 DCBDMO COC(=O)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[N@@H+](C)C1 ZINC000413500871 262214946 /nfs/dbraw/zinc/21/49/46/262214946.db2.gz OSTDNAHGDJUGRO-VIFPVBQESA-N 1 1 312.301 0.670 20 5 DCBDMO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1 ZINC000157646710 276000114 /nfs/dbraw/zinc/00/01/14/276000114.db2.gz SGAFIUPVFLVLJN-NSHDSACASA-N 1 1 316.383 0.690 20 5 DCBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1 ZINC000157646710 276000116 /nfs/dbraw/zinc/00/01/16/276000116.db2.gz SGAFIUPVFLVLJN-NSHDSACASA-N 1 1 316.383 0.690 20 5 DCBDMO C[N@H+]1CCC[C@@H](N2CCN(c3ncc([N+](=O)[O-])cn3)CC2)C1 ZINC000368706538 277053865 /nfs/dbraw/zinc/05/38/65/277053865.db2.gz GDVKCBKLSIJCBB-GFCCVEGCSA-N 1 1 306.370 0.601 20 5 DCBDMO Cc1nn(C)c(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000272621564 279187937 /nfs/dbraw/zinc/18/79/37/279187937.db2.gz LVYHSWNJCWETHO-GHMZBOCLSA-N 1 1 307.354 0.803 20 5 DCBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](CO)c1ccccc1 ZINC000266524039 523102499 /nfs/dbraw/zinc/10/24/99/523102499.db2.gz JVRVUVCOVYRQGU-GJZGRUSLSA-N 1 1 320.349 0.818 20 5 DCBDMO CC[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000160919687 523264468 /nfs/dbraw/zinc/26/44/68/523264468.db2.gz FMMPMDSYLKYZMS-JTQLQIEISA-N 1 1 311.342 0.501 20 5 DCBDMO CC[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000160919687 523264478 /nfs/dbraw/zinc/26/44/78/523264478.db2.gz FMMPMDSYLKYZMS-JTQLQIEISA-N 1 1 311.342 0.501 20 5 DCBDMO COC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266566842 523686287 /nfs/dbraw/zinc/68/62/87/523686287.db2.gz ZXAFYLSKSNGXPX-PWSUYJOCSA-N 1 1 312.326 0.037 20 5 DCBDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246965463 525089316 /nfs/dbraw/zinc/08/93/16/525089316.db2.gz LKWOWJOBNYTJIQ-DYEKYZERSA-N 1 1 309.370 0.321 20 5 DCBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CCCOCC1 ZINC000189448706 527245431 /nfs/dbraw/zinc/24/54/31/527245431.db2.gz AOLWAGYFIGDRGS-UHFFFAOYSA-N 1 1 307.350 0.976 20 5 DCBDMO CCOC[C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000174789091 529019949 /nfs/dbraw/zinc/01/99/49/529019949.db2.gz CQKGIDSSWNIYGX-JSGCOSHPSA-N 1 1 312.370 0.901 20 5 DCBDMO CN(C)S(=O)(=O)CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285352258 536080707 /nfs/dbraw/zinc/08/07/07/536080707.db2.gz PSGAFSFWSVYUJA-UHFFFAOYSA-N 1 1 315.395 0.961 20 5 DCBDMO CN(C)S(=O)(=O)CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285352258 536080711 /nfs/dbraw/zinc/08/07/11/536080711.db2.gz PSGAFSFWSVYUJA-UHFFFAOYSA-N 1 1 315.395 0.961 20 5 DCBDMO COCC[NH+]1CCN(c2ccc3nonc3c2[N+](=O)[O-])CC1 ZINC000891624935 657552749 /nfs/dbraw/zinc/55/27/49/657552749.db2.gz HTVHLPWEQYPSBR-UHFFFAOYSA-N 1 1 307.310 0.899 20 5 DCBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cnn[nH]1 ZINC001022352172 657783411 /nfs/dbraw/zinc/78/34/11/657783411.db2.gz MDAFJFRXDJIKCI-PHIMTYICSA-N 1 1 316.321 0.764 20 5 DCBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1ncn[nH]1 ZINC001022869265 658714713 /nfs/dbraw/zinc/71/47/13/658714713.db2.gz UMLNNOGWMYBNOW-PHIMTYICSA-N 1 1 316.321 0.764 20 5 DCBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1nc[nH]n1 ZINC001022869265 658714720 /nfs/dbraw/zinc/71/47/20/658714720.db2.gz UMLNNOGWMYBNOW-PHIMTYICSA-N 1 1 316.321 0.764 20 5 DCBDMO Cc1ncsc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001022064086 658816028 /nfs/dbraw/zinc/81/60/28/658816028.db2.gz VLOCNTITNWMNSW-LMLFDSFASA-N 1 1 310.379 0.854 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776076 659557362 /nfs/dbraw/zinc/55/73/62/659557362.db2.gz WFWZPBOUFXNPIJ-ZIQFBCGOSA-N 1 1 315.320 0.743 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@H+](CC3CC(F)(F)C3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025776076 659557364 /nfs/dbraw/zinc/55/73/64/659557364.db2.gz WFWZPBOUFXNPIJ-ZIQFBCGOSA-N 1 1 315.320 0.743 20 5 DCBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025776076 659557365 /nfs/dbraw/zinc/55/73/65/659557365.db2.gz WFWZPBOUFXNPIJ-ZIQFBCGOSA-N 1 1 315.320 0.743 20 5 DCBDMO C[C@@H]1C[N@@H+](CCCOC(=O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000893390419 659621910 /nfs/dbraw/zinc/62/19/10/659621910.db2.gz FOKWVWXCEYKBTO-LLVKDONJSA-N 1 1 312.326 0.445 20 5 DCBDMO Cn1ncc([N+](=O)[O-])c1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000893712335 661361371 /nfs/dbraw/zinc/36/13/71/661361371.db2.gz UXLWKUHHDUEWAK-GFCCVEGCSA-N 1 1 309.370 0.877 20 5 DCBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1C ZINC000924975368 661822446 /nfs/dbraw/zinc/82/24/46/661822446.db2.gz DGBGHDVZAVDHGI-UWVGGRQHSA-N 1 1 311.313 0.837 20 5 DCBDMO Cc1ncc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)o1 ZINC000983657167 662002115 /nfs/dbraw/zinc/00/21/15/662002115.db2.gz IQVMXNBTLVGOKP-FPQZTECRSA-N 1 1 308.338 0.633 20 5 DCBDMO C[N@@H+]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@H]1CO ZINC000894887297 662027226 /nfs/dbraw/zinc/02/72/26/662027226.db2.gz ZPTQKDBTDISPJO-LBPRGKRZSA-N 1 1 306.366 0.981 20 5 DCBDMO C[N@H+]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@H]1CO ZINC000894887297 662027229 /nfs/dbraw/zinc/02/72/29/662027229.db2.gz ZPTQKDBTDISPJO-LBPRGKRZSA-N 1 1 306.366 0.981 20 5 DCBDMO C[N@@H+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@H]1CO ZINC000894886975 662027511 /nfs/dbraw/zinc/02/75/11/662027511.db2.gz YFWXYQIUJLRTGB-QMMMGPOBSA-N 1 1 309.351 0.712 20 5 DCBDMO C[N@H+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@H]1CO ZINC000894886975 662027512 /nfs/dbraw/zinc/02/75/12/662027512.db2.gz YFWXYQIUJLRTGB-QMMMGPOBSA-N 1 1 309.351 0.712 20 5 DCBDMO CCc1nn(C)c(N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000895247496 662155896 /nfs/dbraw/zinc/15/58/96/662155896.db2.gz UTZBDABLKWUGQE-PWSUYJOCSA-N 1 1 310.402 0.937 20 5 DCBDMO CN1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[N@@H+](C)CC1 ZINC000897095918 662391395 /nfs/dbraw/zinc/39/13/95/662391395.db2.gz WYOSJAPXRNQJFW-UHFFFAOYSA-N 1 1 319.369 0.321 20 5 DCBDMO Cc1nn(CN2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c(C)c1[N+](=O)[O-] ZINC000902645712 663425816 /nfs/dbraw/zinc/42/58/16/663425816.db2.gz YGWKIYSEGOOQDL-KBPBESRZSA-N 1 1 323.397 0.897 20 5 DCBDMO O=C(CCN1CCc2c(cccc2[N+](=O)[O-])C1)N1CC[NH2+]CC1 ZINC000903883768 663492672 /nfs/dbraw/zinc/49/26/72/663492672.db2.gz ZCALHLXNLYMBFE-UHFFFAOYSA-N 1 1 318.377 0.775 20 5 DCBDMO COc1cccc(C(=O)N(C)CC[N@@H+](C)CCO)c1[N+](=O)[O-] ZINC000912604874 664192631 /nfs/dbraw/zinc/19/26/31/664192631.db2.gz UKLFYPHUDYHGQA-UHFFFAOYSA-N 1 1 311.338 0.600 20 5 DCBDMO COc1ccc(CC(=O)N2CC[N@H+](C)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000913550795 664351862 /nfs/dbraw/zinc/35/18/62/664351862.db2.gz BUEVGDFAQFKFPA-LBPRGKRZSA-N 1 1 323.349 0.281 20 5 DCBDMO COc1ccc(CC(=O)N2CC[N@@H+](C)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000913550795 664351864 /nfs/dbraw/zinc/35/18/64/664351864.db2.gz BUEVGDFAQFKFPA-LBPRGKRZSA-N 1 1 323.349 0.281 20 5 DCBDMO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2nnnn2C2CC2)cc1 ZINC000915355525 664891942 /nfs/dbraw/zinc/89/19/42/664891942.db2.gz XKMFFXDMNBPWLX-GFCCVEGCSA-N 1 1 304.310 0.739 20 5 DCBDMO Cc1nc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)co1 ZINC000997772509 665336126 /nfs/dbraw/zinc/33/61/26/665336126.db2.gz OBDHHYJRRXLIDI-ZIAGYGMSSA-N 1 1 322.365 0.976 20 5 DCBDMO Cc1nocc1C[NH+]1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001001399710 666041935 /nfs/dbraw/zinc/04/19/35/666041935.db2.gz NDVCPNODKBGGTK-ZIAGYGMSSA-N 1 1 322.365 0.976 20 5 DCBDMO Cc1oncc1C[NH+]1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001001400638 666041966 /nfs/dbraw/zinc/04/19/66/666041966.db2.gz VLYIAEZCDAJIBD-ZIAGYGMSSA-N 1 1 322.365 0.976 20 5 DCBDMO Nc1ccc(NC(=O)NCC[N@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000861202666 666910630 /nfs/dbraw/zinc/91/06/30/666910630.db2.gz NKANXMOVVCJEME-JTQLQIEISA-N 1 1 309.326 0.365 20 5 DCBDMO O=C(N[C@H]1CC[C@H]([NH2+]CCn2cccn2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034644896 667089442 /nfs/dbraw/zinc/08/94/42/667089442.db2.gz NFYYLOBKKFDXQT-AAVRWANBSA-N 1 1 321.381 0.565 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000742792083 667799379 /nfs/dbraw/zinc/79/93/79/667799379.db2.gz FIXPUTPBJUNRKE-UHFFFAOYSA-N 1 1 320.349 0.583 20 5 DCBDMO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839612495 668124752 /nfs/dbraw/zinc/12/47/52/668124752.db2.gz ARXZXSRFYMZDNJ-BYNSBNAKSA-N 1 1 324.425 0.669 20 5 DCBDMO Cc1nn(C)c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000874846273 668226093 /nfs/dbraw/zinc/22/60/93/668226093.db2.gz XQYWVTIWQYWREM-QWRGUYRKSA-N 1 1 307.354 0.945 20 5 DCBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@H](O)C[N@H+]1C ZINC000924993735 668262019 /nfs/dbraw/zinc/26/20/19/668262019.db2.gz LVCSJZHRBQALJO-NEPJUHHUSA-N 1 1 322.365 0.456 20 5 DCBDMO O=[N+]([O-])c1cccc(N2CC[NH+](CCn3cnnn3)CC2)c1 ZINC000877962337 668664646 /nfs/dbraw/zinc/66/46/46/668664646.db2.gz HFBXREVWRWYWQD-UHFFFAOYSA-N 1 1 303.326 0.404 20 5 DCBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000930874166 669098625 /nfs/dbraw/zinc/09/86/25/669098625.db2.gz FDYQAOSOKPPRMJ-JQWIXIFHSA-N 1 1 305.338 0.888 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCNC(=O)CC12CCC2 ZINC000880167503 669170399 /nfs/dbraw/zinc/17/03/99/669170399.db2.gz UFIRYRLZHXSEJN-UHFFFAOYSA-N 1 1 307.354 0.844 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCNC(=O)CC12CCC2 ZINC000880167503 669170403 /nfs/dbraw/zinc/17/04/03/669170403.db2.gz UFIRYRLZHXSEJN-UHFFFAOYSA-N 1 1 307.354 0.844 20 5 DCBDMO CC(=O)N1C[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@@H]2C1 ZINC000880312255 669189849 /nfs/dbraw/zinc/18/98/49/669189849.db2.gz XAHLWBNKFADNAQ-BETUJISGSA-N 1 1 320.349 0.167 20 5 DCBDMO CO[C@@H]1COCC[C@@H]1[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000880433558 669210134 /nfs/dbraw/zinc/21/01/34/669210134.db2.gz OXSCHLPHMARBOS-QWHCGFSZSA-N 1 1 311.338 0.492 20 5 DCBDMO Cn1cc(C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)c([N+](=O)[O-])n1 ZINC000880579225 669241782 /nfs/dbraw/zinc/24/17/82/669241782.db2.gz PKSOCHXOUXSJQP-LBPRGKRZSA-N 1 1 310.354 0.692 20 5 DCBDMO Cn1cc(C[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)c([N+](=O)[O-])n1 ZINC000880579225 669241785 /nfs/dbraw/zinc/24/17/85/669241785.db2.gz PKSOCHXOUXSJQP-LBPRGKRZSA-N 1 1 310.354 0.692 20 5 DCBDMO CN1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+](C)CC1 ZINC000933992876 669558981 /nfs/dbraw/zinc/55/89/81/669558981.db2.gz OUVWPKBVOZQJON-MRXNPFEDSA-N 1 1 322.409 0.807 20 5 DCBDMO CC[N@H+]1CC[C@@H]1CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000882959284 669631228 /nfs/dbraw/zinc/63/12/28/669631228.db2.gz AORCACVXLLVQAX-LLVKDONJSA-N 1 1 322.369 0.728 20 5 DCBDMO NC(=O)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000078768167 670113585 /nfs/dbraw/zinc/11/35/85/670113585.db2.gz VVATUDSJUQMPNA-UHFFFAOYSA-N 1 1 312.351 0.336 20 5 DCBDMO C[C@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000819887835 671143447 /nfs/dbraw/zinc/14/34/47/671143447.db2.gz QHHLRHCLAOVJKT-SNVBAGLBSA-N 1 1 307.354 0.751 20 5 DCBDMO COC(=O)CC[C@H]([NH3+])c1nc(-c2c([N+](=O)[O-])nc(C)n2C)no1 ZINC000823094343 671368469 /nfs/dbraw/zinc/36/84/69/671368469.db2.gz OXDXGUHPUWUBBN-ZETCQYMHSA-N 1 1 324.297 0.640 20 5 DCBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823926605 671413277 /nfs/dbraw/zinc/41/32/77/671413277.db2.gz DHWQLEKTLDBOCG-SNVBAGLBSA-N 1 1 323.353 0.707 20 5 DCBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823926605 671413278 /nfs/dbraw/zinc/41/32/78/671413278.db2.gz DHWQLEKTLDBOCG-SNVBAGLBSA-N 1 1 323.353 0.707 20 5 DCBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825411349 671460666 /nfs/dbraw/zinc/46/06/66/671460666.db2.gz PDQRBVDDKWXYHV-BXUZGUMPSA-N 1 1 305.334 0.981 20 5 DCBDMO Cc1[nH+]ccn1CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825529600 671464522 /nfs/dbraw/zinc/46/45/22/671464522.db2.gz JXQIPHKGRUONBZ-ZDUSSCGKSA-N 1 1 304.306 0.950 20 5 DCBDMO CC(C)(CCC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)[N+](=O)[O-] ZINC000833574465 671748675 /nfs/dbraw/zinc/74/86/75/671748675.db2.gz DSHOBBNJWHKXNF-GFCCVEGCSA-N 1 1 301.387 0.785 20 5 DCBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000841456967 671933969 /nfs/dbraw/zinc/93/39/69/671933969.db2.gz NGSRYADRHQPYQO-QWRGUYRKSA-N 1 1 322.365 0.704 20 5 DCBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000841456967 671933976 /nfs/dbraw/zinc/93/39/76/671933976.db2.gz NGSRYADRHQPYQO-QWRGUYRKSA-N 1 1 322.365 0.704 20 5 DCBDMO CC(C)[N@H+]1CCC[C@H](COC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000842832948 672041776 /nfs/dbraw/zinc/04/17/76/672041776.db2.gz IRLYBWQIAFVECS-NSHDSACASA-N 1 1 311.342 0.850 20 5 DCBDMO O=C1CC[C@@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)N1 ZINC000844269116 672169986 /nfs/dbraw/zinc/16/99/86/672169986.db2.gz RQZHWORFQVYIQD-LBPRGKRZSA-N 1 1 304.350 0.995 20 5 DCBDMO Cc1ncc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC001020139586 693710461 /nfs/dbraw/zinc/71/04/61/693710461.db2.gz GVMWEHZRGIIBSS-FDYHWXHSSA-N 1 1 305.338 0.187 20 5 DCBDMO Cn1cncc1C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001072721113 694656816 /nfs/dbraw/zinc/65/68/16/694656816.db2.gz DTISWIFPJKTQSG-CHWSQXEVSA-N 1 1 319.365 0.120 20 5 DCBDMO C[C@@H]1CCNC(=O)[C@@H]1NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001576743775 1164448182 /nfs/dbraw/zinc/44/81/82/1164448182.db2.gz BFEHJNPCWDKGKJ-BCQZVRRWSA-N 1 1 320.349 0.410 20 5 DCBDMO C[N@H+]1C[C@@H]2CCN(C(=O)[C@](C)(N)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001578523545 1165042737 /nfs/dbraw/zinc/04/27/37/1165042737.db2.gz MNAINYPOYLVXQC-SGIREYDYSA-N 1 1 318.377 0.931 20 5 DCBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[NH2+]C[C@H]2C(F)F)n1 ZINC001579642432 1165369913 /nfs/dbraw/zinc/36/99/13/1165369913.db2.gz FPVIQFOUHINIOE-JTQLQIEISA-N 1 1 300.265 0.977 20 5 DCBDMO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC001585180527 1166408961 /nfs/dbraw/zinc/40/89/61/1166408961.db2.gz IYKKBRIFXUHWPD-GFCCVEGCSA-N 1 1 323.353 0.161 20 5 DCBDMO C[C@H]1CC[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C[C@H]1O ZINC001590271589 1166831296 /nfs/dbraw/zinc/83/12/96/1166831296.db2.gz IQDRFHPVVCUACL-TVQRCGJNSA-N 1 1 318.337 0.978 20 5 DCBDMO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1(CO)CC1 ZINC001591137239 1167113353 /nfs/dbraw/zinc/11/33/53/1167113353.db2.gz TZFSOPCYGJSEAA-UHFFFAOYSA-N 1 1 304.310 0.732 20 5 DCBDMO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1(CO)CC1 ZINC001591137239 1167113357 /nfs/dbraw/zinc/11/33/57/1167113357.db2.gz TZFSOPCYGJSEAA-UHFFFAOYSA-N 1 1 304.310 0.732 20 5 DCBDMO Cn1cc[nH+]c1CCNc1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001592585564 1167570876 /nfs/dbraw/zinc/57/08/76/1167570876.db2.gz DVJLDYUOWGZGLF-UHFFFAOYSA-N 1 1 315.297 0.558 20 5 DCBDMO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC001604807353 1169692508 /nfs/dbraw/zinc/69/25/08/1169692508.db2.gz MAEDVXFLUKPIEG-NSHDSACASA-N 1 1 304.310 0.996 20 5 DCBDMO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC001604807353 1169692513 /nfs/dbraw/zinc/69/25/13/1169692513.db2.gz MAEDVXFLUKPIEG-NSHDSACASA-N 1 1 304.310 0.996 20 5 DCBDMO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC001604807352 1169693465 /nfs/dbraw/zinc/69/34/65/1169693465.db2.gz MAEDVXFLUKPIEG-LLVKDONJSA-N 1 1 304.310 0.996 20 5 DCBDMO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC001604807352 1169693472 /nfs/dbraw/zinc/69/34/72/1169693472.db2.gz MAEDVXFLUKPIEG-LLVKDONJSA-N 1 1 304.310 0.996 20 5 DCBDMO COCC[N@H+](CCO)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001605099856 1169822664 /nfs/dbraw/zinc/82/26/64/1169822664.db2.gz RAZYFVUPCULNFX-UHFFFAOYSA-N 1 1 322.325 0.216 20 5 DCBDMO COCC[N@@H+](CCO)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001605099856 1169822673 /nfs/dbraw/zinc/82/26/73/1169822673.db2.gz RAZYFVUPCULNFX-UHFFFAOYSA-N 1 1 322.325 0.216 20 5 DCBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1N[C@@H]1Cc2c[nH+]cn2C1 ZINC001607079995 1170381762 /nfs/dbraw/zinc/38/17/62/1170381762.db2.gz FWONAUSLNMBBTA-MRVPVSSYSA-N 1 1 313.281 0.403 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)c1 ZINC001620524218 1171404311 /nfs/dbraw/zinc/40/43/11/1171404311.db2.gz OOSPKDDZVODKCH-TUVASFSCSA-N 1 1 324.381 0.778 20 5 DCBDMO Cn1cc([N+](=O)[O-])c(NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)n1 ZINC001640050805 1171863200 /nfs/dbraw/zinc/86/32/00/1171863200.db2.gz FDWWLNHVWSTDJI-LLVKDONJSA-N 1 1 322.369 0.435 20 5 DCBDMO C[N@H+]1CC[C@H]2CN(c3nccc(C(N)=O)c3[N+](=O)[O-])CC[C@H]21 ZINC001640289204 1171875086 /nfs/dbraw/zinc/87/50/86/1171875086.db2.gz OXRWSJJYUGOUSA-GXSJLCMTSA-N 1 1 305.338 0.619 20 5 DCBDMO O=C(CC[N@H+]1CC[C@H](O)[C@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC001654751545 1173811159 /nfs/dbraw/zinc/81/11/59/1173811159.db2.gz GYTXXNIGLPBRCI-FZMZJTMJSA-N 1 1 323.349 0.599 20 5 DCBDMO C[C@](Cn1cccn1)([NH2+]Cc1cccc([N+](=O)[O-])c1)C(N)=O ZINC001655050990 1173814748 /nfs/dbraw/zinc/81/47/48/1173814748.db2.gz FODWFRGVCQAPLS-CQSZACIVSA-N 1 1 303.322 0.825 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N(CC[NH2+]CCO)Cc1ccccc1 ZINC001699981523 1178403845 /nfs/dbraw/zinc/40/38/45/1178403845.db2.gz JTNWNMGURKMFFX-ZIAGYGMSSA-N 1 1 307.350 0.262 20 5 DCBDMO CC(=O)NCC(=O)NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001714955175 1181615524 /nfs/dbraw/zinc/61/55/24/1181615524.db2.gz NCLUCBHEQSVQBI-UHFFFAOYSA-N 1 1 320.349 0.279 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(CNC(=O)c2ccc[nH]2)CC1 ZINC001723490961 1184317413 /nfs/dbraw/zinc/31/74/13/1184317413.db2.gz LLGQSAKXARRFOZ-UHFFFAOYSA-N 1 1 318.337 0.709 20 5 DCBDMO O=C(NC[C@H]1CC[C@H](C[NH2+]CCCO)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001733564186 1186333656 /nfs/dbraw/zinc/33/36/56/1186333656.db2.gz BZDPVBOTVPSCCP-AAVRWANBSA-N 1 1 313.398 0.546 20 5 DCBDMO O=[N+]([O-])c1cc[n+]([O-])c(N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC001165037933 721901203 /nfs/dbraw/zinc/90/12/03/721901203.db2.gz OIIJQPACLLPOID-ZDUSSCGKSA-N 1 1 308.338 0.529 20 5 DCBDMO CCCN(CCC)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126936214 750148608 /nfs/dbraw/zinc/14/86/08/750148608.db2.gz AYUVRMZLBKXSPR-VXGBXAGGSA-N 1 1 314.386 0.006 20 5 DCBDMO O=C(NCC[NH2+]Cc1cc(CO)ccc1F)[C@@H]1CC1[N+](=O)[O-] ZINC001126936966 750149405 /nfs/dbraw/zinc/14/94/05/750149405.db2.gz ZBFIRPCDKZNPRR-DGCLKSJQSA-N 1 1 311.313 0.189 20 5 DCBDMO COCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001048524894 754791326 /nfs/dbraw/zinc/79/13/26/754791326.db2.gz DUONJQRQBHKUKT-XVIXHAIJSA-N 1 1 311.382 0.657 20 5 DCBDMO COCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001048524894 754791331 /nfs/dbraw/zinc/79/13/31/754791331.db2.gz DUONJQRQBHKUKT-XVIXHAIJSA-N 1 1 311.382 0.657 20 5 DCBDMO COCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001048524894 754791336 /nfs/dbraw/zinc/79/13/36/754791336.db2.gz DUONJQRQBHKUKT-XVIXHAIJSA-N 1 1 311.382 0.657 20 5 DCBDMO COC(=O)[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1C(C)=O ZINC001169054887 760564352 /nfs/dbraw/zinc/56/43/52/760564352.db2.gz NZKHDKGUSSDEMH-XQQFMLRXSA-N 1 1 313.354 0.138 20 5 DCBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC001116342071 765862565 /nfs/dbraw/zinc/86/25/65/765862565.db2.gz MBCSFDJXTUNNLV-JTQLQIEISA-N 1 1 306.322 0.109 20 5 DCBDMO CC[C@]([NH3+])(CO)Nc1nc(SC)nc(OC)c1[N+](=O)[O-] ZINC001170857558 766142800 /nfs/dbraw/zinc/14/28/00/766142800.db2.gz FRPMFLIPJUPNOH-SNVBAGLBSA-N 1 1 303.344 0.585 20 5 DCBDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001136668796 766420363 /nfs/dbraw/zinc/42/03/63/766420363.db2.gz CAJYIVKOQXGBAD-IUODEOHRSA-N 1 1 323.349 0.545 20 5 DCBDMO Cc1n[nH]c(C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)c1[N+](=O)[O-] ZINC001118794071 766435827 /nfs/dbraw/zinc/43/58/27/766435827.db2.gz KNSLATCJAZDARA-NSHDSACASA-N 1 1 323.353 0.298 20 5 DCBDMO Cc1[nH]nc(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1[N+](=O)[O-] ZINC001118794071 766435831 /nfs/dbraw/zinc/43/58/31/766435831.db2.gz KNSLATCJAZDARA-NSHDSACASA-N 1 1 323.353 0.298 20 5 DCBDMO Cc1[nH]nc(C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)c1[N+](=O)[O-] ZINC001118794071 766435839 /nfs/dbraw/zinc/43/58/39/766435839.db2.gz KNSLATCJAZDARA-NSHDSACASA-N 1 1 323.353 0.298 20 5 DCBDMO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1nnnn1C ZINC001120558922 767078249 /nfs/dbraw/zinc/07/82/49/767078249.db2.gz LEERCJDTJSAJBD-ONGXEEELSA-N 1 1 322.325 0.209 20 5 DCBDMO Cc1cnoc1C(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001146494558 767462857 /nfs/dbraw/zinc/46/28/57/767462857.db2.gz KPWYRGQJBYCNDV-UHFFFAOYSA-N 1 1 308.298 0.144 20 5 DCBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)Cc1ccc[nH]1 ZINC001151781681 769419365 /nfs/dbraw/zinc/41/93/65/769419365.db2.gz KHFCMDVGYKIDFS-UHFFFAOYSA-N 1 1 306.326 0.105 20 5 DCBDMO Nc1ccc[nH+]c1N1CCN(c2ccc([N+](=O)[O-])c(N)n2)CC1 ZINC001154783694 770295336 /nfs/dbraw/zinc/29/53/36/770295336.db2.gz YXPYCHIHRLXQPD-UHFFFAOYSA-N 1 1 315.337 0.876 20 5 DCBDMO CCn1cc(CC[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001157766984 771666069 /nfs/dbraw/zinc/66/60/69/771666069.db2.gz CUYPLWIULAMGIQ-CHWSQXEVSA-N 1 1 309.370 0.207 20 5 DCBDMO CC(C)N1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C[C@@H]1C ZINC001158501297 771783645 /nfs/dbraw/zinc/78/36/45/771783645.db2.gz QUVLDHRSFXSOFA-NSHDSACASA-N 1 1 320.397 0.991 20 5 DCBDMO Cn1cc(NCCCN2CC[NH+](C)CC2)cc([N+](=O)[O-])c1=O ZINC001161705098 772268747 /nfs/dbraw/zinc/26/87/47/772268747.db2.gz CLOBFDBHAXSBQI-UHFFFAOYSA-N 1 1 309.370 0.343 20 5 DCBDMO O=c1cc(CNc2ncc([N+](=O)[O-])cn2)nc2n1CCC[NH2+]C2 ZINC001163110982 772464031 /nfs/dbraw/zinc/46/40/31/772464031.db2.gz ISWABLALGGUDKS-UHFFFAOYSA-N 1 1 317.309 0.047 20 5 DCBDMO CC(C)(O)C[C@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001191763501 772815250 /nfs/dbraw/zinc/81/52/50/772815250.db2.gz JZIAVZHXWMMJDJ-YPMHNXCESA-N 1 1 324.381 0.998 20 5 DCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]CCn2cccn2)CC1 ZINC001205229483 772984281 /nfs/dbraw/zinc/98/42/81/772984281.db2.gz DKKODIHJAFQCHR-ZIAGYGMSSA-N 1 1 321.381 0.377 20 5 DCBDMO C[N@@H+]1CCO[C@H](COc2[nH]c(=O)nc3cc([N+](=O)[O-])ccc32)C1 ZINC001228242285 776059665 /nfs/dbraw/zinc/05/96/65/776059665.db2.gz LZPRYPHZXGFQIQ-JTQLQIEISA-N 1 1 320.305 0.953 20 5 DCBDMO C[N@H+]1CCO[C@H](COc2[nH]c(=O)nc3cc([N+](=O)[O-])ccc32)C1 ZINC001228242285 776059673 /nfs/dbraw/zinc/05/96/73/776059673.db2.gz LZPRYPHZXGFQIQ-JTQLQIEISA-N 1 1 320.305 0.953 20 5 DCBDMO Cc1ncc(C[NH2+]CCCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001268792368 940361413 /nfs/dbraw/zinc/36/14/13/940361413.db2.gz ZEEPRUDWTKVRDS-CHWSQXEVSA-N 1 1 307.354 0.388 20 5 DCBDMO CNC(=O)NCC(=O)NCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001317448185 944975291 /nfs/dbraw/zinc/97/52/91/944975291.db2.gz GXVDGATXUZSXSS-UHFFFAOYSA-N 1 1 323.353 0.072 20 5 DCBDMO CNC(=O)NCC(=O)NCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001317448185 944975294 /nfs/dbraw/zinc/97/52/94/944975294.db2.gz GXVDGATXUZSXSS-UHFFFAOYSA-N 1 1 323.353 0.072 20 5 DCBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001319369692 945571946 /nfs/dbraw/zinc/57/19/46/945571946.db2.gz MIQOYCPEYHTDJI-GFCCVEGCSA-N 1 1 322.365 0.557 20 5 DCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001319754729 945659898 /nfs/dbraw/zinc/65/98/98/945659898.db2.gz BNJXYPZTPUZTBR-UHFFFAOYSA-N 1 1 323.353 0.265 20 5 DCBDMO O=C1COC[C@H]2C[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CCN12 ZINC001254609866 946414555 /nfs/dbraw/zinc/41/45/55/946414555.db2.gz ZTCRXMJGNCLYPE-HUUCEWRRSA-N 1 1 317.345 0.605 20 5 DCBDMO O=C1COC[C@H]2C[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CCN12 ZINC001254609866 946414559 /nfs/dbraw/zinc/41/45/59/946414559.db2.gz ZTCRXMJGNCLYPE-HUUCEWRRSA-N 1 1 317.345 0.605 20 5 DCBDMO Cc1nn(C)c(C(=O)NCCC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC001324254394 947366980 /nfs/dbraw/zinc/36/69/80/947366980.db2.gz BJYCEDWWROCEIF-UHFFFAOYSA-N 1 1 324.385 0.004 20 5 DCBDMO Cc1cnc(C[N@H+](C)CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001273507609 947932776 /nfs/dbraw/zinc/93/27/76/947932776.db2.gz GZBBSRGLMSOUBG-ZIAGYGMSSA-N 1 1 321.381 0.731 20 5 DCBDMO Cc1nc(C)c(C[N@@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001264984855 949141278 /nfs/dbraw/zinc/14/12/78/949141278.db2.gz CLXOCIUSKKHCSH-VXGBXAGGSA-N 1 1 310.354 0.895 20 5 DCBDMO Cc1nc(C)c(C[N@H+](C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001264984855 949141292 /nfs/dbraw/zinc/14/12/92/949141292.db2.gz CLXOCIUSKKHCSH-VXGBXAGGSA-N 1 1 310.354 0.895 20 5 DCBDMO Cc1nc(C)c(C[N@@H+](C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001264984855 949141305 /nfs/dbraw/zinc/14/13/05/949141305.db2.gz CLXOCIUSKKHCSH-VXGBXAGGSA-N 1 1 310.354 0.895 20 5 DCBDMO Nc1nccc(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC001329041090 949309350 /nfs/dbraw/zinc/30/93/50/949309350.db2.gz XKJJEKODOZQEBV-SNVBAGLBSA-N 1 1 305.338 0.882 20 5 DCBDMO Cn1cc(C[N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)c([N+](=O)[O-])n1 ZINC001330655747 950577825 /nfs/dbraw/zinc/57/78/25/950577825.db2.gz AKRYHUQXSCUTCB-SNVBAGLBSA-N 1 1 307.354 0.819 20 5 DCBDMO Cn1cc(C[N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)c([N+](=O)[O-])n1 ZINC001330655747 950577843 /nfs/dbraw/zinc/57/78/43/950577843.db2.gz AKRYHUQXSCUTCB-SNVBAGLBSA-N 1 1 307.354 0.819 20 5 DCBDMO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC([NH+]2CCOCC2)CC1 ZINC001331786644 951318187 /nfs/dbraw/zinc/31/81/87/951318187.db2.gz XDXYYOOWAZMZKU-UHFFFAOYSA-N 1 1 309.326 0.255 20 5 DCBDMO COC(=O)[C@@H]1C[NH+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C(=O)OC ZINC001334737708 952387160 /nfs/dbraw/zinc/38/71/60/952387160.db2.gz MEWULQXVPNBHDJ-VXGBXAGGSA-N 1 1 322.317 0.989 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC001341044694 953208369 /nfs/dbraw/zinc/20/83/69/953208369.db2.gz MCINBSSURPASAG-RYUDHWBXSA-N 1 1 307.354 0.843 20 5 DCBDMO COCCn1c(C[N+](=O)[O-])nnc1N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC001343047675 953319168 /nfs/dbraw/zinc/31/91/68/953319168.db2.gz PNWVWFDSYOLNNM-SMDDNHRTSA-N 1 1 324.385 0.089 20 5 DCBDMO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1nnnn1C ZINC001353230579 955985299 /nfs/dbraw/zinc/98/52/99/955985299.db2.gz DAMHNZYXSDIIFY-ZJUUUORDSA-N 1 1 322.325 0.209 20 5 DCBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)C1(O)CCOCC1)CC2 ZINC001354437804 956391196 /nfs/dbraw/zinc/39/11/96/956391196.db2.gz KWRWDHOVPKYJGA-HNNXBMFYSA-N 1 1 322.361 0.855 20 5 DCBDMO C[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCN1C ZINC001293743923 957422834 /nfs/dbraw/zinc/42/28/34/957422834.db2.gz FPFKVPCNAPNOHO-IINYFYTJSA-N 1 1 321.381 0.541 20 5 DCBDMO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1cc([N+](=O)[O-])n[nH]1 ZINC001303634246 960059537 /nfs/dbraw/zinc/05/95/37/960059537.db2.gz XNLYLRFTNVHKMS-PSASIEDQSA-N 1 1 311.367 0.628 20 5 DCBDMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)c1cc([N+](=O)[O-])n[nH]1 ZINC001303634246 960059547 /nfs/dbraw/zinc/05/95/47/960059547.db2.gz XNLYLRFTNVHKMS-PSASIEDQSA-N 1 1 311.367 0.628 20 5 DCBDMO CCc1n[nH]c(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)c1[N+](=O)[O-] ZINC001305874081 960113341 /nfs/dbraw/zinc/11/33/41/960113341.db2.gz MPNMVGPPQKZSRN-FXPVBKGRSA-N 1 1 307.354 0.950 20 5 DCBDMO Cc1nn(C)c(C(=O)N2CC[N@H+](C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC001306859852 960134315 /nfs/dbraw/zinc/13/43/15/960134315.db2.gz SFSNQIZIFYGISF-VIFPVBQESA-N 1 1 307.354 0.945 20 5 DCBDMO Cc1nn(C)c(C(=O)N2CC[N@@H+](C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC001306859852 960134318 /nfs/dbraw/zinc/13/43/18/960134318.db2.gz SFSNQIZIFYGISF-VIFPVBQESA-N 1 1 307.354 0.945 20 5 DCBDMO O=[N+]([O-])c1cc2c(nc1NC[C@@]1(CO)COCC[NH2+]1)CCCC2 ZINC001307200143 960145231 /nfs/dbraw/zinc/14/52/31/960145231.db2.gz JEQMRUKCFPODQI-OAHLLOKOSA-N 1 1 322.365 0.631 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)c1 ZINC001307944598 960164421 /nfs/dbraw/zinc/16/44/21/960164421.db2.gz GLWIFZWQFLABGX-WFASDCNBSA-N 1 1 324.333 0.699 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)c1 ZINC001307944598 960164423 /nfs/dbraw/zinc/16/44/23/960164423.db2.gz GLWIFZWQFLABGX-WFASDCNBSA-N 1 1 324.333 0.699 20 5 DCBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]1CO ZINC001308103205 960167770 /nfs/dbraw/zinc/16/77/70/960167770.db2.gz DSZBTYJFOUZKND-NSHDSACASA-N 1 1 309.322 0.999 20 5 DCBDMO C[N@H+]1CCC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC001311240602 960247763 /nfs/dbraw/zinc/24/77/63/960247763.db2.gz FYHMJKHJJFZKAN-JTQLQIEISA-N 1 1 321.337 0.909 20 5 DCBDMO Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC001468316454 1016243405 /nfs/dbraw/zinc/24/34/05/1016243405.db2.gz LWMAHNMCELSSMQ-GFCCVEGCSA-N 1 1 322.365 0.754 20 5 DCBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001469814292 1016365944 /nfs/dbraw/zinc/36/59/44/1016365944.db2.gz GMTZBGFSFHENAN-LLVKDONJSA-N 1 1 323.324 0.933 20 5 DCBDMO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001469814292 1016365952 /nfs/dbraw/zinc/36/59/52/1016365952.db2.gz GMTZBGFSFHENAN-LLVKDONJSA-N 1 1 323.324 0.933 20 5 DCBDMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCn1nc(C)cc1C ZINC001492950215 1003573713 /nfs/dbraw/zinc/57/37/13/1003573713.db2.gz KUUKMGQKMKTIDM-ZIAGYGMSSA-N 1 1 323.397 0.603 20 5 DCBDMO CC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCn1nc(C)cc1C ZINC001492950215 1003573718 /nfs/dbraw/zinc/57/37/18/1003573718.db2.gz KUUKMGQKMKTIDM-ZIAGYGMSSA-N 1 1 323.397 0.603 20 5 DCBDMO CC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCn1nc(C)cc1C ZINC001492950215 1003573721 /nfs/dbraw/zinc/57/37/21/1003573721.db2.gz KUUKMGQKMKTIDM-ZIAGYGMSSA-N 1 1 323.397 0.603 20 5 DCBDMO Nc1ncc(C(=O)NCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC001440522844 1007859954 /nfs/dbraw/zinc/85/99/54/1007859954.db2.gz SPECITYMRBXMGX-UHFFFAOYSA-N 1 1 309.326 0.024 20 5 DCBDMO O=[N+]([O-])c1c(NC[C@@]2(CO)COCC[NH2+]2)ccc2ncccc21 ZINC001458569232 1012219336 /nfs/dbraw/zinc/21/93/36/1012219336.db2.gz FISVRMYHHXADFB-OAHLLOKOSA-N 1 1 318.333 0.906 20 5 DCBDMO C[N@@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](CO)C1 ZINC001557710847 1012294908 /nfs/dbraw/zinc/29/49/08/1012294908.db2.gz HKGUFGMYCQQQQO-LLVKDONJSA-N 1 1 318.333 0.825 20 5 DCBDMO C[N@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](CO)C1 ZINC001557710847 1012294921 /nfs/dbraw/zinc/29/49/21/1012294921.db2.gz HKGUFGMYCQQQQO-LLVKDONJSA-N 1 1 318.333 0.825 20 5 DCBDMO COc1cc([N+](=O)[O-])cn(C[C@H](C)C[NH+]2CCOCC2)c1=O ZINC001559448780 1012425650 /nfs/dbraw/zinc/42/56/50/1012425650.db2.gz PXJDKCGTYMMSPR-LLVKDONJSA-N 1 1 311.338 0.733 20 5 DCBDMO COC1(OC)CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1O ZINC001560103409 1012441197 /nfs/dbraw/zinc/44/11/97/1012441197.db2.gz OOJFYRCDOLBRGR-LLVKDONJSA-N 1 1 314.342 0.155 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NCc1c[nH+]c2n1CCCC2 ZINC001459947411 1012839082 /nfs/dbraw/zinc/83/90/82/1012839082.db2.gz PXGYIQIISUXSPF-UHFFFAOYSA-N 1 1 318.337 0.949 20 5 DCBDMO Cc1nn(C)c(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000272621570 282255152 /nfs/dbraw/zinc/25/51/52/282255152.db2.gz LVYHSWNJCWETHO-QWRGUYRKSA-N 1 1 307.354 0.803 20 5 DCBDMO C[C@@H](C[NH+](C)C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000286738352 219138796 /nfs/dbraw/zinc/13/87/96/219138796.db2.gz OGPSZIKEQVEOEK-QMMMGPOBSA-N 1 1 305.331 0.962 20 5 DCBDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2c2ncc([N+](=O)[O-])cn2)CC1 ZINC000302160396 530069562 /nfs/dbraw/zinc/06/95/62/530069562.db2.gz OXOLBKTVIRGNLW-GFCCVEGCSA-N 1 1 320.353 0.128 20 5 DCBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000287192512 219370630 /nfs/dbraw/zinc/37/06/30/219370630.db2.gz UCPQSYJUZZFSOW-JTQLQIEISA-N 1 1 323.353 0.643 20 5 DCBDMO O=C([C@H]1COCC[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000173007058 198176496 /nfs/dbraw/zinc/17/64/96/198176496.db2.gz YCRVUPOFYXQVBV-CQSZACIVSA-N 1 1 320.349 0.232 20 5 DCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000160255489 291238252 /nfs/dbraw/zinc/23/82/52/291238252.db2.gz BFJXKRSUQKAETC-VIFPVBQESA-N 1 1 307.310 0.954 20 5 DCBDMO C[C@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000420418991 240025530 /nfs/dbraw/zinc/02/55/30/240025530.db2.gz INGIOZLXSLUBTJ-NSHDSACASA-N 1 1 313.379 0.761 20 5 DCBDMO Cc1c(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000264762340 204138118 /nfs/dbraw/zinc/13/81/18/204138118.db2.gz UKLRENOWKDNYAQ-GFCCVEGCSA-N 1 1 306.366 0.879 20 5 DCBDMO COC(=O)CNC(=O)CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282530008 217065535 /nfs/dbraw/zinc/06/55/35/217065535.db2.gz UZAUTGGQDJHFHU-UHFFFAOYSA-N 1 1 323.349 0.748 20 5 DCBDMO CCn1cc(S(=O)(=O)NCC[N@@H+](C)C2CC2)c([N+](=O)[O-])n1 ZINC000339049904 253026674 /nfs/dbraw/zinc/02/66/74/253026674.db2.gz ZTIGGROMJQOHOZ-UHFFFAOYSA-N 1 1 317.371 0.184 20 5 DCBDMO COc1ccc(OCC[N@H+](C)[C@H]2CCNC2=O)c([N+](=O)[O-])c1 ZINC000340222024 253219732 /nfs/dbraw/zinc/21/97/32/253219732.db2.gz NQMJBEBQTSPROV-NSHDSACASA-N 1 1 309.322 0.803 20 5 DCBDMO COc1ccc(OCC[N@@H+](C)[C@H]2CCNC2=O)c([N+](=O)[O-])c1 ZINC000340222024 253219735 /nfs/dbraw/zinc/21/97/35/253219735.db2.gz NQMJBEBQTSPROV-NSHDSACASA-N 1 1 309.322 0.803 20 5 DCBDMO COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000346695070 254083851 /nfs/dbraw/zinc/08/38/51/254083851.db2.gz YCVXWFFGKMNFEE-MVWJERBFSA-N 1 1 312.326 0.036 20 5 DCBDMO CN(C(=O)C[NH+]1[C@H](CO)CC[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000347290684 254145377 /nfs/dbraw/zinc/14/53/77/254145377.db2.gz AKYVLENFVHSWFB-KBPBESRZSA-N 1 1 323.349 0.375 20 5 DCBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000351252432 254334977 /nfs/dbraw/zinc/33/49/77/254334977.db2.gz KDYDJUPJPSATJT-SECBINFHSA-N 1 1 309.326 0.023 20 5 DCBDMO COC(=O)C1(O)CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000271446994 208920712 /nfs/dbraw/zinc/92/07/12/208920712.db2.gz RSATZRKNGIMWLX-CYBMUJFWSA-N 1 1 324.333 0.628 20 5 DCBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000275469622 130324162 /nfs/dbraw/zinc/32/41/62/130324162.db2.gz RGKUYJZPNGIUGF-JTQLQIEISA-N 1 1 310.354 0.840 20 5 DCBDMO CC(C)[N@@H+](CCOCCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000283655941 131010928 /nfs/dbraw/zinc/01/09/28/131010928.db2.gz DPACSFJNPXTKHL-UHFFFAOYSA-N 1 1 313.354 0.476 20 5 DCBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000340225131 131229703 /nfs/dbraw/zinc/22/97/03/131229703.db2.gz GIAMNSSONZLJLM-WCQYABFASA-N 1 1 309.322 0.155 20 5 DCBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[NH+](CCO)CC1 ZINC000087083974 395706029 /nfs/dbraw/zinc/70/60/29/395706029.db2.gz SIRQRCVSBGMAOU-UHFFFAOYSA-N 1 1 307.350 0.664 20 5 DCBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000046448192 395776925 /nfs/dbraw/zinc/77/69/25/395776925.db2.gz JRODBFJJGCKMCU-UHFFFAOYSA-N 1 1 320.349 0.535 20 5 DCBDMO C[NH+]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000050079648 395835952 /nfs/dbraw/zinc/83/59/52/395835952.db2.gz YLOCAPLYBKHTNF-UHFFFAOYSA-N 1 1 310.310 0.082 20 5 DCBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCSCC1 ZINC000230696773 395881709 /nfs/dbraw/zinc/88/17/09/395881709.db2.gz KPDBOQVCIXWNPM-UHFFFAOYSA-N 1 1 311.367 0.351 20 5 DCBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCCn1cc[nH+]c1C ZINC000065875192 395998503 /nfs/dbraw/zinc/99/85/03/395998503.db2.gz HTQXQMRYOWLNLC-UHFFFAOYSA-N 1 1 306.326 0.811 20 5 DCBDMO C[C@H](O)C[N@H+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000246060560 395939787 /nfs/dbraw/zinc/93/97/87/395939787.db2.gz DEOFCKCHGTXLPD-QWRGUYRKSA-N 1 1 322.365 0.585 20 5 DCBDMO NC(=O)[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000248397184 395986495 /nfs/dbraw/zinc/98/64/95/395986495.db2.gz RIYXBHBYPFITSV-JSGCOSHPSA-N 1 1 323.349 0.674 20 5 DCBDMO NC(=O)[C@@H]1CCCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000248397184 395986499 /nfs/dbraw/zinc/98/64/99/395986499.db2.gz RIYXBHBYPFITSV-JSGCOSHPSA-N 1 1 323.349 0.674 20 5 DCBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@H](C)C1 ZINC000253204372 396025526 /nfs/dbraw/zinc/02/55/26/396025526.db2.gz NFKHQAAHEDSYCD-MNOVXSKESA-N 1 1 322.365 0.704 20 5 DCBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@H](C)C1 ZINC000253204372 396025528 /nfs/dbraw/zinc/02/55/28/396025528.db2.gz NFKHQAAHEDSYCD-MNOVXSKESA-N 1 1 322.365 0.704 20 5 DCBDMO C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000157424641 396063199 /nfs/dbraw/zinc/06/31/99/396063199.db2.gz MZJXBKOSUZAQQR-BXUZGUMPSA-N 1 1 307.350 0.973 20 5 DCBDMO C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000157424641 396063200 /nfs/dbraw/zinc/06/32/00/396063200.db2.gz MZJXBKOSUZAQQR-BXUZGUMPSA-N 1 1 307.350 0.973 20 5 DCBDMO CNC(=O)[C@@]1(C)CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000280536099 396206467 /nfs/dbraw/zinc/20/64/67/396206467.db2.gz DDSIUNRTNKUAMP-AWEZNQCLSA-N 1 1 308.338 0.215 20 5 DCBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC[N@@H+]1CC=CCC1 ZINC000280275079 396190045 /nfs/dbraw/zinc/19/00/45/396190045.db2.gz PWBCOZICFCWURL-UHFFFAOYSA-N 1 1 306.322 0.135 20 5 DCBDMO COCC[N@H+]1CC[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000264469759 396282848 /nfs/dbraw/zinc/28/28/48/396282848.db2.gz GCKKKIVCHMFSKE-NSHDSACASA-N 1 1 311.342 0.018 20 5 DCBDMO CCOC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000184534776 396297869 /nfs/dbraw/zinc/29/78/69/396297869.db2.gz PSGGKRHPECUKJL-NEPJUHHUSA-N 1 1 312.326 0.180 20 5 DCBDMO CCOC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000184534776 396297873 /nfs/dbraw/zinc/29/78/73/396297873.db2.gz PSGGKRHPECUKJL-NEPJUHHUSA-N 1 1 312.326 0.180 20 5 DCBDMO Cc1n[nH]c(C(=O)NC[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000265730502 396340279 /nfs/dbraw/zinc/34/02/79/396340279.db2.gz QOCLNOKKDBLVLK-VIFPVBQESA-N 1 1 311.342 0.324 20 5 DCBDMO C[C@H]1C[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)CCCO1 ZINC000286422383 396394825 /nfs/dbraw/zinc/39/48/25/396394825.db2.gz GJXXGOBNAIQUKF-JTQLQIEISA-N 1 1 311.342 0.549 20 5 DCBDMO NC(=O)c1ccnc(NCC[N@@H+]2CCCOCC2)c1[N+](=O)[O-] ZINC000290964361 396476522 /nfs/dbraw/zinc/47/65/22/396476522.db2.gz OUNPNCZXOIWMQG-UHFFFAOYSA-N 1 1 309.326 0.223 20 5 DCBDMO NC(=O)c1ccnc(NCC[N@H+]2CCCOCC2)c1[N+](=O)[O-] ZINC000290964361 396476523 /nfs/dbraw/zinc/47/65/23/396476523.db2.gz OUNPNCZXOIWMQG-UHFFFAOYSA-N 1 1 309.326 0.223 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000372155307 396492692 /nfs/dbraw/zinc/49/26/92/396492692.db2.gz KAIJSFSXEGJTQV-SGMGOOAPSA-N 1 1 310.354 0.511 20 5 DCBDMO [NH3+]CC(F)(F)CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000581495994 396560419 /nfs/dbraw/zinc/56/04/19/396560419.db2.gz FJIACGUEXJMHKO-UHFFFAOYSA-N 1 1 300.265 0.859 20 5 DCBDMO CC(C)Oc1nc(N2CC[NH+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000581735769 396580394 /nfs/dbraw/zinc/58/03/94/396580394.db2.gz BCGSYANIJUFTQK-UHFFFAOYSA-N 1 1 310.354 0.891 20 5 DCBDMO O=C(NCC[NH+]1CCC1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000533566380 396606144 /nfs/dbraw/zinc/60/61/44/396606144.db2.gz YUCDXCADAIEWMG-UHFFFAOYSA-N 1 1 307.306 0.802 20 5 DCBDMO CN1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCC1=O ZINC000595788835 396662847 /nfs/dbraw/zinc/66/28/47/396662847.db2.gz YNKSAIREQAPWJP-CYBMUJFWSA-N 1 1 323.349 0.499 20 5 DCBDMO CN1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCC1=O ZINC000595788835 396662849 /nfs/dbraw/zinc/66/28/49/396662849.db2.gz YNKSAIREQAPWJP-CYBMUJFWSA-N 1 1 323.349 0.499 20 5 DCBDMO C[C@@H](O)C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@H](C)C1 ZINC000596199061 396729959 /nfs/dbraw/zinc/72/99/59/396729959.db2.gz BBKKXFAATUINMS-GHMZBOCLSA-N 1 1 322.365 0.585 20 5 DCBDMO C[C@@H](O)C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@@H](C)C1 ZINC000596199064 396730220 /nfs/dbraw/zinc/73/02/20/396730220.db2.gz BBKKXFAATUINMS-WDEREUQCSA-N 1 1 322.365 0.585 20 5 DCBDMO CC[C@@H]([NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)NC ZINC000590663900 396821464 /nfs/dbraw/zinc/82/14/64/396821464.db2.gz NEVRQMAPCLCEAV-SNVBAGLBSA-N 1 1 309.322 0.980 20 5 DCBDMO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)CN(C)C ZINC000564793677 396869414 /nfs/dbraw/zinc/86/94/14/396869414.db2.gz RORRBBJOVPKCIJ-WCQYABFASA-N 1 1 313.402 0.718 20 5 DCBDMO CC(C)(CO)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000611515652 396878189 /nfs/dbraw/zinc/87/81/89/396878189.db2.gz JBZHYEBIKJUZJV-UHFFFAOYSA-N 1 1 322.365 0.706 20 5 DCBDMO COc1c(C(=O)NCC[N@H+]2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000600534237 396885241 /nfs/dbraw/zinc/88/52/41/396885241.db2.gz ODCYSLIKBRCSGS-SNVBAGLBSA-N 1 1 309.322 0.400 20 5 DCBDMO Cn1ccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000591757752 396998933 /nfs/dbraw/zinc/99/89/33/396998933.db2.gz KICBQXZAZVSKLA-CYBMUJFWSA-N 1 1 306.322 0.858 20 5 DCBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000619141367 397089387 /nfs/dbraw/zinc/08/93/87/397089387.db2.gz LNIIDBKTLIUWHK-UHFFFAOYSA-N 1 1 320.349 0.441 20 5 DCBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000619578239 397152934 /nfs/dbraw/zinc/15/29/34/397152934.db2.gz DPPGMXPYBLSRSS-GFCCVEGCSA-N 1 1 322.365 0.699 20 5 DCBDMO C[NH+]1CCN(CC2CN(c3ncc([N+](=O)[O-])cc3F)C2)CC1 ZINC000599109924 397340063 /nfs/dbraw/zinc/34/00/63/397340063.db2.gz XWZQTHHEHKABML-UHFFFAOYSA-N 1 1 309.345 0.813 20 5 DCBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000599175687 397353314 /nfs/dbraw/zinc/35/33/14/397353314.db2.gz HXHGAJCVDNXHSR-LLVKDONJSA-N 1 1 308.338 0.433 20 5 DCBDMO COC(=O)Cc1ccc(NCC[N@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000599175638 397353818 /nfs/dbraw/zinc/35/38/18/397353818.db2.gz FVNUREOGSFEMAB-GFCCVEGCSA-N 1 1 323.349 0.789 20 5 DCBDMO Nc1nc(N)[nH+]c(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000599060587 397328921 /nfs/dbraw/zinc/32/89/21/397328921.db2.gz YRCFVHQKEOZSLE-UHFFFAOYSA-N 1 1 301.310 0.774 20 5 DCBDMO O=C(CNc1ccccc1[N+](=O)[O-])N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593853077 397455366 /nfs/dbraw/zinc/45/53/66/397455366.db2.gz BHAFTYOPUDRHNJ-GFCCVEGCSA-N 1 1 320.349 0.284 20 5 DCBDMO O=C(CNc1ccccc1[N+](=O)[O-])N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593853077 397455371 /nfs/dbraw/zinc/45/53/71/397455371.db2.gz BHAFTYOPUDRHNJ-GFCCVEGCSA-N 1 1 320.349 0.284 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000602828575 397495994 /nfs/dbraw/zinc/49/59/94/397495994.db2.gz HIBBBYLZSDDKJJ-JSGCOSHPSA-N 1 1 323.397 0.895 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000602828579 397496549 /nfs/dbraw/zinc/49/65/49/397496549.db2.gz HIBBBYLZSDDKJJ-TZMCWYRMSA-N 1 1 323.397 0.895 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CCOCCO)C1CCC1 ZINC000602885918 397512268 /nfs/dbraw/zinc/51/22/68/397512268.db2.gz ZVEOMSCWKBSGOB-UHFFFAOYSA-N 1 1 312.370 0.963 20 5 DCBDMO C[N@H+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](CO)C1 ZINC000602904678 397519221 /nfs/dbraw/zinc/51/92/21/397519221.db2.gz JPMXOONQHOPLCL-CQSZACIVSA-N 1 1 309.366 0.972 20 5 DCBDMO CN1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](CO)C1 ZINC000602904678 397519222 /nfs/dbraw/zinc/51/92/22/397519222.db2.gz JPMXOONQHOPLCL-CQSZACIVSA-N 1 1 309.366 0.972 20 5 DCBDMO CN1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](CO)C1 ZINC000602904678 397519224 /nfs/dbraw/zinc/51/92/24/397519224.db2.gz JPMXOONQHOPLCL-CQSZACIVSA-N 1 1 309.366 0.972 20 5 DCBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000609280445 397768478 /nfs/dbraw/zinc/76/84/78/397768478.db2.gz PNNWVPFTSROPSO-JTQLQIEISA-N 1 1 324.337 0.536 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000609624213 397787362 /nfs/dbraw/zinc/78/73/62/397787362.db2.gz RCHBAPRVHHKJRG-UHFFFAOYSA-N 1 1 323.397 0.691 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1CCCN(C)CC1 ZINC000609624213 397787367 /nfs/dbraw/zinc/78/73/67/397787367.db2.gz RCHBAPRVHHKJRG-UHFFFAOYSA-N 1 1 323.397 0.691 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1CCCN(C)CC1 ZINC000609624213 397787373 /nfs/dbraw/zinc/78/73/73/397787373.db2.gz RCHBAPRVHHKJRG-UHFFFAOYSA-N 1 1 323.397 0.691 20 5 DCBDMO C[C@@H](O)C[NH+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000186850374 533674991 /nfs/dbraw/zinc/67/49/91/533674991.db2.gz GBWKDHNXNUWVKK-GFCCVEGCSA-N 1 1 323.349 0.499 20 5 DCBDMO CC[N@@H+]1CCO[C@@H](C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000073032628 158054197 /nfs/dbraw/zinc/05/41/97/158054197.db2.gz KEGFEYDLNTUDMO-CQSZACIVSA-N 1 1 307.350 0.974 20 5 DCBDMO CC[N@H+]1CCO[C@@H](C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000073032628 158054199 /nfs/dbraw/zinc/05/41/99/158054199.db2.gz KEGFEYDLNTUDMO-CQSZACIVSA-N 1 1 307.350 0.974 20 5 DCBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000408054602 160024508 /nfs/dbraw/zinc/02/45/08/160024508.db2.gz SWKFCNUJDNSPNT-GHMZBOCLSA-N 1 1 307.354 0.885 20 5 DCBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000151272383 287032728 /nfs/dbraw/zinc/03/27/28/287032728.db2.gz NWRFZPLGERCUNA-LLVKDONJSA-N 1 1 322.369 0.575 20 5 DCBDMO NC(=O)[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181534134 287056520 /nfs/dbraw/zinc/05/65/20/287056520.db2.gz BCXIIHNJRWULCB-DGCLKSJQSA-N 1 1 323.349 0.674 20 5 DCBDMO NC(=O)[C@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181534134 287056521 /nfs/dbraw/zinc/05/65/21/287056521.db2.gz BCXIIHNJRWULCB-DGCLKSJQSA-N 1 1 323.349 0.674 20 5 DCBDMO Cc1nn(C)c(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000268189733 415172824 /nfs/dbraw/zinc/17/28/24/415172824.db2.gz MVNJQPPWAJUJEL-KCJUWKMLSA-N 1 1 307.354 0.849 20 5 DCBDMO COc1cc(S(=O)(=O)N2CC([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000272065390 415274728 /nfs/dbraw/zinc/27/47/28/415274728.db2.gz DKSCBXZNOPAXMI-UHFFFAOYSA-N 1 1 315.351 0.538 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+]3CCOC[C@H]3C2)n1 ZINC000342830720 415306284 /nfs/dbraw/zinc/30/62/84/415306284.db2.gz KGOXILBLRZRUKO-SNVBAGLBSA-N 1 1 322.321 0.297 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+]3CCOC[C@H]3C2)n1 ZINC000342830720 415306289 /nfs/dbraw/zinc/30/62/89/415306289.db2.gz KGOXILBLRZRUKO-SNVBAGLBSA-N 1 1 322.321 0.297 20 5 DCBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000332231149 415309364 /nfs/dbraw/zinc/30/93/64/415309364.db2.gz MNGJACBIEZGEPI-QWRGUYRKSA-N 1 1 308.342 0.272 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1COC[C@@H]1O ZINC000352805146 415330608 /nfs/dbraw/zinc/33/06/08/415330608.db2.gz RCZJJTHHKAQHAO-KBPBESRZSA-N 1 1 323.349 0.923 20 5 DCBDMO C[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)[N@H+]1CCCC[C@@H]1C ZINC000343066959 415431027 /nfs/dbraw/zinc/43/10/27/415431027.db2.gz JJQMFCIGMRRLEM-WDEREUQCSA-N 1 1 310.358 0.565 20 5 DCBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNc2ccc([N+](=O)[O-])nc2)C1 ZINC000344419379 415912590 /nfs/dbraw/zinc/91/25/90/415912590.db2.gz NADJVULLXVKXMP-NSHDSACASA-N 1 1 307.354 0.989 20 5 DCBDMO CS(=O)(=O)[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000337499995 415968402 /nfs/dbraw/zinc/96/84/02/415968402.db2.gz ANZOQDLDSKNDED-LLVKDONJSA-N 1 1 316.383 0.690 20 5 DCBDMO CS(=O)(=O)[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000337499995 415968404 /nfs/dbraw/zinc/96/84/04/415968404.db2.gz ANZOQDLDSKNDED-LLVKDONJSA-N 1 1 316.383 0.690 20 5 DCBDMO O=C(Nc1ccncc1[N+](=O)[O-])N[C@H]1CCC[N@H+](CCCO)C1 ZINC000297820781 415976221 /nfs/dbraw/zinc/97/62/21/415976221.db2.gz QNCQDQVPAZIDAN-NSHDSACASA-N 1 1 323.353 0.958 20 5 DCBDMO CC[N@@H+](CCO)CCNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000356796439 415988920 /nfs/dbraw/zinc/98/89/20/415988920.db2.gz OZOLWSRRXAHZJE-UHFFFAOYSA-N 1 1 311.338 0.647 20 5 DCBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)CN1CC[NH+](C)CC1 ZINC000298970055 416041601 /nfs/dbraw/zinc/04/16/01/416041601.db2.gz DHPOODHIBVKAAF-NSHDSACASA-N 1 1 309.370 0.536 20 5 DCBDMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000159732365 416007041 /nfs/dbraw/zinc/00/70/41/416007041.db2.gz KRTLNLOSWXBJQR-LBPRGKRZSA-N 1 1 308.338 0.309 20 5 DCBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000159732365 416007043 /nfs/dbraw/zinc/00/70/43/416007043.db2.gz KRTLNLOSWXBJQR-LBPRGKRZSA-N 1 1 308.338 0.309 20 5 DCBDMO CC(C)(O)C[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000176527974 416128156 /nfs/dbraw/zinc/12/81/56/416128156.db2.gz JSLWMVJEWBBHPI-UHFFFAOYSA-N 1 1 322.365 0.706 20 5 DCBDMO C[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)[N@H+]1CCC[C@@H](C)C1 ZINC000357892258 416148571 /nfs/dbraw/zinc/14/85/71/416148571.db2.gz RPTZRABQFMJWRA-MNOVXSKESA-N 1 1 310.358 0.423 20 5 DCBDMO CC(C)c1n[nH]c(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000358066873 416185812 /nfs/dbraw/zinc/18/58/12/416185812.db2.gz NIWMEHZTHAEBRP-CYBMUJFWSA-N 1 1 311.342 0.238 20 5 DCBDMO CN1CCN(CCC[N@H+](C)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000182965181 416234388 /nfs/dbraw/zinc/23/43/88/416234388.db2.gz UPOWUFZFHSLOTL-UHFFFAOYSA-N 1 1 310.402 0.361 20 5 DCBDMO CN1CCN(CCC[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000182965181 416234395 /nfs/dbraw/zinc/23/43/95/416234395.db2.gz UPOWUFZFHSLOTL-UHFFFAOYSA-N 1 1 310.402 0.361 20 5 DCBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331295265 416304942 /nfs/dbraw/zinc/30/49/42/416304942.db2.gz SJNHHSNFBGFALP-RFHZTLPTSA-N 1 1 312.370 0.634 20 5 DCBDMO Cc1nn(C)c(NCCC[N@H+]2CCC[C@H]2C(N)=O)c1[N+](=O)[O-] ZINC000358899992 416291580 /nfs/dbraw/zinc/29/15/80/416291580.db2.gz JWWZKZAICHZAHX-JTQLQIEISA-N 1 1 310.358 0.388 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCc3cn[nH]c3C2)c1 ZINC000583929950 416485731 /nfs/dbraw/zinc/48/57/31/416485731.db2.gz KWRUCADGENZLHS-JQWIXIFHSA-N 1 1 306.326 0.022 20 5 DCBDMO CN(C(=O)C[N@H+]1CC[C@@](C)(C(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000361565678 416453724 /nfs/dbraw/zinc/45/37/24/416453724.db2.gz NTWIHWLFQAIDEG-OAHLLOKOSA-N 1 1 320.349 0.755 20 5 DCBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC[NH+]1CCC1 ZINC000361882471 416517005 /nfs/dbraw/zinc/51/70/05/416517005.db2.gz HIAACMYXTCTQFN-UHFFFAOYSA-N 1 1 320.349 0.972 20 5 DCBDMO CCCC[N@@H+](C)CCNC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000563896338 416887036 /nfs/dbraw/zinc/88/70/36/416887036.db2.gz HADCTWFLGRQVNA-UHFFFAOYSA-N 1 1 309.370 1.493 20 5 DCBDMO COc1ccc(CC(=O)NCC(F)(F)C[NH3+])cc1[N+](=O)[O-] ZINC000517933346 416830769 /nfs/dbraw/zinc/83/07/69/416830769.db2.gz ARBBJCDCSUOYKO-UHFFFAOYSA-N 1 1 303.265 0.856 20 5 DCBDMO CCC[NH+]1CCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 ZINC000566436785 417049391 /nfs/dbraw/zinc/04/93/91/417049391.db2.gz GCUJTOXAVFNGFL-UHFFFAOYSA-N 1 1 307.354 1.199 20 5 DCBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000525167828 417126768 /nfs/dbraw/zinc/12/67/68/417126768.db2.gz VQPHYYVONCWLRY-GFCCVEGCSA-N 1 1 322.365 0.728 20 5 DCBDMO NC(=O)c1ccc(NC[C@H]2CCC[N@H+]2CCCO)c([N+](=O)[O-])c1 ZINC000450594798 417244240 /nfs/dbraw/zinc/24/42/40/417244240.db2.gz KVUUPLHKMCEKSW-GFCCVEGCSA-N 1 1 322.365 0.952 20 5 DCBDMO CCN1CCN(CC(C)(C)[NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000451993927 417428453 /nfs/dbraw/zinc/42/84/53/417428453.db2.gz VJMIUAXOARFKEG-UHFFFAOYSA-N 1 1 324.429 0.797 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCOC[C@H]2C2CCC2)c1 ZINC000575800211 417550609 /nfs/dbraw/zinc/55/06/09/417550609.db2.gz HBOACBUOZRXJFH-KGLIPLIRSA-N 1 1 310.354 0.653 20 5 DCBDMO CNc1nc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000455018434 417590311 /nfs/dbraw/zinc/59/03/11/417590311.db2.gz WVIWAJNFKRLFOJ-VIFPVBQESA-N 1 1 305.338 0.998 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCCc3c[nH]nc32)c1 ZINC000576220122 417590937 /nfs/dbraw/zinc/59/09/37/417590937.db2.gz DGLFLEGXYKUWPW-NWDGAFQWSA-N 1 1 306.326 0.543 20 5 DCBDMO CC[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CC(N)=O ZINC000355624997 261354315 /nfs/dbraw/zinc/35/43/15/261354315.db2.gz STDXGEUEVLMYHC-UHFFFAOYSA-N 1 1 322.321 0.700 20 5 DCBDMO NC(=O)[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000413038929 262198617 /nfs/dbraw/zinc/19/86/17/262198617.db2.gz TXZVRKJCJXYZKH-LBPRGKRZSA-N 1 1 301.306 0.407 20 5 DCBDMO COC(=O)[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000413915180 262228669 /nfs/dbraw/zinc/22/86/69/262228669.db2.gz HDRKTNYXQNAJIK-NSHDSACASA-N 1 1 321.333 0.772 20 5 DCBDMO COC(=O)[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413915180 262228670 /nfs/dbraw/zinc/22/86/70/262228670.db2.gz HDRKTNYXQNAJIK-NSHDSACASA-N 1 1 321.333 0.772 20 5 DCBDMO CC(C)OC[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000514540675 272398760 /nfs/dbraw/zinc/39/87/60/272398760.db2.gz KTMBBHQQQXLNAJ-AWEZNQCLSA-N 1 1 324.381 0.898 20 5 DCBDMO COc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000054371018 295192340 /nfs/dbraw/zinc/19/23/40/295192340.db2.gz HKQIWGNECJSBIY-VIFPVBQESA-N 1 1 315.351 0.586 20 5 DCBDMO CC[N@H+](Cc1cnn(C)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266542044 521439899 /nfs/dbraw/zinc/43/98/99/521439899.db2.gz HACVUMLWZHLONA-CYBMUJFWSA-N 1 1 308.342 0.408 20 5 DCBDMO C[N@H+](CCO)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000126666570 522882558 /nfs/dbraw/zinc/88/25/58/522882558.db2.gz JMCOVERYMSHYNM-UHFFFAOYSA-N 1 1 322.365 0.168 20 5 DCBDMO C[N@@H+](CCO)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000126666570 522882564 /nfs/dbraw/zinc/88/25/64/522882564.db2.gz JMCOVERYMSHYNM-UHFFFAOYSA-N 1 1 322.365 0.168 20 5 DCBDMO C[N@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736858889 598503892 /nfs/dbraw/zinc/50/38/92/598503892.db2.gz VLWNGFUHLVRABS-VIFPVBQESA-N 1 1 318.341 0.924 20 5 DCBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1ncn[nH]1 ZINC001022868944 658710446 /nfs/dbraw/zinc/71/04/46/658710446.db2.gz DLQVCMZLEHPERE-PHIMTYICSA-N 1 1 316.321 0.764 20 5 DCBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1nc[nH]n1 ZINC001022868944 658710450 /nfs/dbraw/zinc/71/04/50/658710450.db2.gz DLQVCMZLEHPERE-PHIMTYICSA-N 1 1 316.321 0.764 20 5 DCBDMO Cn1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC000940107673 665701489 /nfs/dbraw/zinc/70/14/89/665701489.db2.gz NVWDINYPFMSQMK-CHWSQXEVSA-N 1 1 321.381 0.556 20 5 DCBDMO COc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)on1 ZINC000983652640 661997984 /nfs/dbraw/zinc/99/79/84/661997984.db2.gz DVPXYCODBQTNKX-CNVPUSNMSA-N 1 1 324.337 0.333 20 5 DCBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000896577850 662294664 /nfs/dbraw/zinc/29/46/64/662294664.db2.gz SMCPEMZJWRJCFS-SMDDNHRTSA-N 1 1 321.381 0.662 20 5 DCBDMO C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000896583189 662295978 /nfs/dbraw/zinc/29/59/78/662295978.db2.gz WYRRZNHCTFVIDY-WFASDCNBSA-N 1 1 320.393 0.888 20 5 DCBDMO C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC000896583189 662295979 /nfs/dbraw/zinc/29/59/79/662295979.db2.gz WYRRZNHCTFVIDY-WFASDCNBSA-N 1 1 320.393 0.888 20 5 DCBDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000900332564 663234626 /nfs/dbraw/zinc/23/46/26/663234626.db2.gz YXQKIGYTANCJIC-UKRRQHHQSA-N 1 1 307.350 0.709 20 5 DCBDMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000901217966 663331271 /nfs/dbraw/zinc/33/12/71/663331271.db2.gz JLWMULDUNAAYPK-LRDDRELGSA-N 1 1 319.361 0.935 20 5 DCBDMO CN1CC[N@@H+](C)CC(C(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000906751429 663638158 /nfs/dbraw/zinc/63/81/58/663638158.db2.gz IAHYFEHTTWBXIC-UHFFFAOYSA-N 1 1 318.377 0.977 20 5 DCBDMO C[N@@H+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@@H](CO)C1 ZINC000912751031 664223733 /nfs/dbraw/zinc/22/37/33/664223733.db2.gz UNUZQQIQBDIEIY-BTKRWWFXSA-N 1 1 305.334 0.743 20 5 DCBDMO C[N@H+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@@H](CO)C1 ZINC000912751031 664223734 /nfs/dbraw/zinc/22/37/34/664223734.db2.gz UNUZQQIQBDIEIY-BTKRWWFXSA-N 1 1 305.334 0.743 20 5 DCBDMO COc1ccc(CC(=O)N2CC[N@H+](C)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000913550794 664351214 /nfs/dbraw/zinc/35/12/14/664351214.db2.gz BUEVGDFAQFKFPA-GFCCVEGCSA-N 1 1 323.349 0.281 20 5 DCBDMO COc1ccc(CC(=O)N2CC[N@@H+](C)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000913550794 664351216 /nfs/dbraw/zinc/35/12/16/664351216.db2.gz BUEVGDFAQFKFPA-GFCCVEGCSA-N 1 1 323.349 0.281 20 5 DCBDMO C[N@@H+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000913553782 664368285 /nfs/dbraw/zinc/36/82/85/664368285.db2.gz QKUWVZAFRREIOR-GFCCVEGCSA-N 1 1 322.365 0.532 20 5 DCBDMO C[N@H+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000913553782 664368290 /nfs/dbraw/zinc/36/82/90/664368290.db2.gz QKUWVZAFRREIOR-GFCCVEGCSA-N 1 1 322.365 0.532 20 5 DCBDMO CC(C)(O)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000172156088 664616739 /nfs/dbraw/zinc/61/67/39/664616739.db2.gz SGLLMLNDRANWIZ-UHFFFAOYSA-N 1 1 322.365 0.706 20 5 DCBDMO O=C(NCC1C[NH+](CCC2CCOCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031663439 665274297 /nfs/dbraw/zinc/27/42/97/665274297.db2.gz ZYUDDAFECGOOJL-ZIAGYGMSSA-N 1 1 311.382 0.516 20 5 DCBDMO Cc1nn(C)cc1C[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001002782653 666221058 /nfs/dbraw/zinc/22/10/58/666221058.db2.gz MYJRASUILOIXGQ-ZIAGYGMSSA-N 1 1 321.381 0.474 20 5 DCBDMO CCn1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1 ZINC000996442449 666786537 /nfs/dbraw/zinc/78/65/37/666786537.db2.gz WDNPBKLISXXXQJ-CHWSQXEVSA-N 1 1 322.369 0.044 20 5 DCBDMO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccon2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034642518 667088725 /nfs/dbraw/zinc/08/87/25/667088725.db2.gz DIBXPPFVXBKGLN-FPQZTECRSA-N 1 1 308.338 0.857 20 5 DCBDMO Cn1c(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000885860190 667713024 /nfs/dbraw/zinc/71/30/24/667713024.db2.gz HFVHPCXNJIRNEO-LBPRGKRZSA-N 1 1 322.365 0.916 20 5 DCBDMO COCCNC(=O)C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885938282 667720967 /nfs/dbraw/zinc/72/09/67/667720967.db2.gz WKVICVBTYSVBHT-UHFFFAOYSA-N 1 1 322.365 0.964 20 5 DCBDMO Cn1nc2c(cc1=O)C[N@@H+](Cc1cccnc1[N+](=O)[O-])CC2 ZINC000886028684 667725851 /nfs/dbraw/zinc/72/58/51/667725851.db2.gz UVWLYWBLYBBHGH-UHFFFAOYSA-N 1 1 301.306 0.642 20 5 DCBDMO Cn1nc2c(cc1=O)C[N@H+](Cc1cccnc1[N+](=O)[O-])CC2 ZINC000886028684 667725854 /nfs/dbraw/zinc/72/58/54/667725854.db2.gz UVWLYWBLYBBHGH-UHFFFAOYSA-N 1 1 301.306 0.642 20 5 DCBDMO COc1ccc(C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000877719721 668642701 /nfs/dbraw/zinc/64/27/01/668642701.db2.gz FRTYBJWQKSTATK-PHIMTYICSA-N 1 1 319.317 0.650 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H]3CSC[C@@H]3C2)c1 ZINC000879560192 669062855 /nfs/dbraw/zinc/06/28/55/669062855.db2.gz RXNUTQQKWCVJQJ-GMXVVIOVSA-N 1 1 312.395 0.837 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000880074301 669155490 /nfs/dbraw/zinc/15/54/90/669155490.db2.gz XNJVYSZELLZEQA-QWHCGFSZSA-N 1 1 309.370 0.241 20 5 DCBDMO Cn1cc(C[NH+]2CCC(CN3CCNC3=O)CC2)c([N+](=O)[O-])n1 ZINC000933576946 669505480 /nfs/dbraw/zinc/50/54/80/669505480.db2.gz RWDSHUAEEVAWEI-UHFFFAOYSA-N 1 1 322.369 0.566 20 5 DCBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOC[C@H]2C[C@H]2CCOC2)c1 ZINC000933676018 669517653 /nfs/dbraw/zinc/51/76/53/669517653.db2.gz RCSSPYAHUQAPPT-CHWSQXEVSA-N 1 1 310.354 0.919 20 5 DCBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCOC[C@H]2C[C@H]2CCOC2)c1 ZINC000933676018 669517656 /nfs/dbraw/zinc/51/76/56/669517656.db2.gz RCSSPYAHUQAPPT-CHWSQXEVSA-N 1 1 310.354 0.919 20 5 DCBDMO C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000935399291 669717295 /nfs/dbraw/zinc/71/72/95/669717295.db2.gz IOWJJDRKUKTFNN-YCPHGPKFSA-N 1 1 319.361 0.881 20 5 DCBDMO NC(=O)c1ccnc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000811782108 670549182 /nfs/dbraw/zinc/54/91/82/670549182.db2.gz GMROMKFQUVJJIQ-ZJUUUORDSA-N 1 1 321.337 0.364 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC000812333808 670575964 /nfs/dbraw/zinc/57/59/64/670575964.db2.gz PGUOUDKRORHRTO-NEPJUHHUSA-N 1 1 307.354 0.592 20 5 DCBDMO O=C(c1cc([N+](=O)[O-])ccc1F)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000855026219 670671531 /nfs/dbraw/zinc/67/15/31/670671531.db2.gz YSVQPPMGMDVNHH-LLVKDONJSA-N 1 1 309.297 0.625 20 5 DCBDMO O=C(c1cc([N+](=O)[O-])ccc1F)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000855026219 670671537 /nfs/dbraw/zinc/67/15/37/670671537.db2.gz YSVQPPMGMDVNHH-LLVKDONJSA-N 1 1 309.297 0.625 20 5 DCBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2nnc3n2CCC3)c1 ZINC000818946045 671079129 /nfs/dbraw/zinc/07/91/29/671079129.db2.gz DAEILJPOTXJNAD-LBPRGKRZSA-N 1 1 303.322 0.956 20 5 DCBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2nnnn2CC2CC2)c1 ZINC000819238402 671104517 /nfs/dbraw/zinc/10/45/17/671104517.db2.gz YJLOLVOXVQGTNF-CYBMUJFWSA-N 1 1 318.337 0.815 20 5 DCBDMO COC(=O)[C@@]1(OC)CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000859556930 671125666 /nfs/dbraw/zinc/12/56/66/671125666.db2.gz FODLTOWZEXPOGU-DZGCQCFKSA-N 1 1 324.333 0.892 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000822454720 671324233 /nfs/dbraw/zinc/32/42/33/671324233.db2.gz VFFFSPNFRZXPSO-GFCCVEGCSA-N 1 1 309.370 0.948 20 5 DCBDMO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@H]12 ZINC000824893626 671443305 /nfs/dbraw/zinc/44/33/05/671443305.db2.gz XCFPULYKQNHCMT-DTORHVGOSA-N 1 1 309.709 0.953 20 5 DCBDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@H]12 ZINC000824893626 671443307 /nfs/dbraw/zinc/44/33/07/671443307.db2.gz XCFPULYKQNHCMT-DTORHVGOSA-N 1 1 309.709 0.953 20 5 DCBDMO CC(C)(CCC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)[N+](=O)[O-] ZINC000833574466 671748163 /nfs/dbraw/zinc/74/81/63/671748163.db2.gz DSHOBBNJWHKXNF-LBPRGKRZSA-N 1 1 301.387 0.785 20 5 DCBDMO Cc1ncccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020139063 693709733 /nfs/dbraw/zinc/70/97/33/693709733.db2.gz PACSDOPVIYHCPF-AAVRWANBSA-N 1 1 304.350 0.792 20 5 DCBDMO C[C@@H]1CCNC(=O)[C@H]1NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001576743778 1164448219 /nfs/dbraw/zinc/44/82/19/1164448219.db2.gz BFEHJNPCWDKGKJ-LYSGOOTNSA-N 1 1 320.349 0.410 20 5 DCBDMO Cc1cc(C)c(OC(=O)[C@H](C)N2CC[NH2+]CC2=O)c([N+](=O)[O-])c1 ZINC001579577223 1165351735 /nfs/dbraw/zinc/35/17/35/1165351735.db2.gz MKIVSHDYANLGQB-NSHDSACASA-N 1 1 321.333 0.937 20 5 DCBDMO Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)N1CC[NH2+]CC1 ZINC001579734370 1165383713 /nfs/dbraw/zinc/38/37/13/1165383713.db2.gz QBAZRWMTPPARKN-UHFFFAOYSA-N 1 1 301.324 0.432 20 5 DCBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1C[N@@H+](C)CCN1C ZINC001586538794 1166495324 /nfs/dbraw/zinc/49/53/24/1166495324.db2.gz QHPSFCQKUSJSPJ-HZMBPMFUSA-N 1 1 321.381 0.541 20 5 DCBDMO CC[N@H+]1CC[C@@H]1CNc1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590731543 1166990165 /nfs/dbraw/zinc/99/01/65/1166990165.db2.gz WQXRREQGDXEDOR-SECBINFHSA-N 1 1 304.314 0.676 20 5 DCBDMO C[N@H+]1CC[C@@H]2CN(c3cccc(-c4nn[nH]n4)c3[N+](=O)[O-])C[C@@H]21 ZINC001591196360 1167145066 /nfs/dbraw/zinc/14/50/66/1167145066.db2.gz VVNWRFYKIOVYBE-SKDRFNHKSA-N 1 1 315.337 0.915 20 5 DCBDMO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC001593480546 1167866203 /nfs/dbraw/zinc/86/62/03/1167866203.db2.gz BNGOCMDEKJEDDN-OTYXRUKQSA-N 1 1 316.321 0.589 20 5 DCBDMO COC(=O)Cc1ccc(NCC[N@@H+](C)CCO)c([N+](=O)[O-])c1 ZINC001612894274 1171364278 /nfs/dbraw/zinc/36/42/78/1171364278.db2.gz OPZOTCPHOLSPRR-UHFFFAOYSA-N 1 1 311.338 0.646 20 5 DCBDMO C[C@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCN1C ZINC001618099952 1171394473 /nfs/dbraw/zinc/39/44/73/1171394473.db2.gz QPGQJCJKHUVBPZ-JOYOIKCWSA-N 1 1 323.353 0.060 20 5 DCBDMO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001620436479 1171402659 /nfs/dbraw/zinc/40/26/59/1171402659.db2.gz XRGQOKHXDYJMHQ-BXUZGUMPSA-N 1 1 309.322 0.011 20 5 DCBDMO C[C@]1(CO)C[C@@H](O)C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001620436479 1171402662 /nfs/dbraw/zinc/40/26/62/1171402662.db2.gz XRGQOKHXDYJMHQ-BXUZGUMPSA-N 1 1 309.322 0.011 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)c1 ZINC001620524217 1171403955 /nfs/dbraw/zinc/40/39/55/1171403955.db2.gz OOSPKDDZVODKCH-QPSCCSFWSA-N 1 1 324.381 0.778 20 5 DCBDMO CN(C(=O)C[N@@H+]1C[C@H](CO)[C@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC001620522923 1171404157 /nfs/dbraw/zinc/40/41/57/1171404157.db2.gz XMQBJVXQSPQKHR-TXEJJXNPSA-N 1 1 323.349 0.090 20 5 DCBDMO CN(C(=O)C[N@H+]1C[C@H](CO)[C@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC001620522923 1171404161 /nfs/dbraw/zinc/40/41/61/1171404161.db2.gz XMQBJVXQSPQKHR-TXEJJXNPSA-N 1 1 323.349 0.090 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)c1 ZINC001620522950 1171404531 /nfs/dbraw/zinc/40/45/31/1171404531.db2.gz YCBSPUXCUSVKKL-BETUJISGSA-N 1 1 324.333 0.414 20 5 DCBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](CO)[C@H](CO)C2)c1 ZINC001620522950 1171404537 /nfs/dbraw/zinc/40/45/37/1171404537.db2.gz YCBSPUXCUSVKKL-BETUJISGSA-N 1 1 324.333 0.414 20 5 DCBDMO COC(=O)COc1ccc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC001621538533 1171411608 /nfs/dbraw/zinc/41/16/08/1171411608.db2.gz LYSNVILCHMADOZ-MFKMUULPSA-N 1 1 324.333 0.959 20 5 DCBDMO COC(=O)COc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001621538531 1171412087 /nfs/dbraw/zinc/41/20/87/1171412087.db2.gz LYSNVILCHMADOZ-GWCFXTLKSA-N 1 1 324.333 0.959 20 5 DCBDMO Cc1c[nH+]cn1CC(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001626768024 1171488993 /nfs/dbraw/zinc/48/89/93/1171488993.db2.gz ZNAZDOQVXZVIPH-UHFFFAOYSA-N 1 1 303.278 0.837 20 5 DCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001643695804 1171983166 /nfs/dbraw/zinc/98/31/66/1171983166.db2.gz QLEHSURRNOUNMO-WDEREUQCSA-N 1 1 309.326 0.530 20 5 DCBDMO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1[nH]ncc1[N+](=O)[O-] ZINC001644757546 1172019845 /nfs/dbraw/zinc/01/98/45/1172019845.db2.gz JMGIYDMRMBLIHN-WPRPVWTQSA-N 1 1 311.367 0.628 20 5 DCBDMO O=C(N[C@H]1CCC[N@H+]2CCSC[C@@H]12)c1[nH]ncc1[N+](=O)[O-] ZINC001644757546 1172019853 /nfs/dbraw/zinc/01/98/53/1172019853.db2.gz JMGIYDMRMBLIHN-WPRPVWTQSA-N 1 1 311.367 0.628 20 5 DCBDMO C[N@H+]1CC[C@@H]1CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001645082125 1172028107 /nfs/dbraw/zinc/02/81/07/1172028107.db2.gz LCJFRMUPASAAOG-GFCCVEGCSA-N 1 1 321.337 0.537 20 5 DCBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC001645374732 1172040474 /nfs/dbraw/zinc/04/04/74/1172040474.db2.gz DPFDJCHUBCYYPA-NSHDSACASA-N 1 1 308.338 0.906 20 5 DCBDMO Cn1ccnc1[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)(C)CO ZINC001646468905 1172394140 /nfs/dbraw/zinc/39/41/40/1172394140.db2.gz NVTWJQMUPQMVCY-LBPRGKRZSA-N 1 1 322.369 0.874 20 5 DCBDMO O=c1[nH]ccc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1[N+](=O)[O-] ZINC001651495592 1173750239 /nfs/dbraw/zinc/75/02/39/1173750239.db2.gz XATGLNMDMTUIRQ-QWRGUYRKSA-N 1 1 308.338 0.731 20 5 DCBDMO CO[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC001653654231 1173792531 /nfs/dbraw/zinc/79/25/31/1173792531.db2.gz VVOFGYJLIHEXRA-QWHCGFSZSA-N 1 1 312.370 0.899 20 5 DCBDMO CN(C(=O)C[N@@H+]1C[C@H](O)C[C@@]1(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC001654290835 1173803897 /nfs/dbraw/zinc/80/38/97/1173803897.db2.gz DECAECRXWIKCGD-HIFRSBDPSA-N 1 1 323.349 0.375 20 5 DCBDMO CN(C(=O)C[N@H+]1C[C@H](O)C[C@@]1(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC001654290835 1173803902 /nfs/dbraw/zinc/80/39/02/1173803902.db2.gz DECAECRXWIKCGD-HIFRSBDPSA-N 1 1 323.349 0.375 20 5 DCBDMO O=C1CO[C@@H]2CC[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@H]2N1 ZINC001654654515 1173807488 /nfs/dbraw/zinc/80/74/88/1173807488.db2.gz WKWLNNVHMRKNQI-HZSPNIEDSA-N 1 1 321.333 0.218 20 5 DCBDMO O=C1CO[C@@H]2CC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@H]2N1 ZINC001654654515 1173807491 /nfs/dbraw/zinc/80/74/91/1173807491.db2.gz WKWLNNVHMRKNQI-HZSPNIEDSA-N 1 1 321.333 0.218 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2c2ncccn2)c1 ZINC001655124650 1173817141 /nfs/dbraw/zinc/81/71/41/1173817141.db2.gz OZUIZWOMKMCDPP-CHWSQXEVSA-N 1 1 318.337 0.779 20 5 DCBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2c2ncccn2)c1 ZINC001655124650 1173817145 /nfs/dbraw/zinc/81/71/45/1173817145.db2.gz OZUIZWOMKMCDPP-CHWSQXEVSA-N 1 1 318.337 0.779 20 5 DCBDMO C[C@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)Cc2c[nH]nc21 ZINC001655278584 1173817831 /nfs/dbraw/zinc/81/78/31/1173817831.db2.gz UMURCPWFIPUSEI-CABZTGNLSA-N 1 1 306.326 0.495 20 5 DCBDMO C[C@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)Cc2c[nH]nc21 ZINC001655278584 1173817835 /nfs/dbraw/zinc/81/78/35/1173817835.db2.gz UMURCPWFIPUSEI-CABZTGNLSA-N 1 1 306.326 0.495 20 5 DCBDMO CC1(C)[C@H]2[C@H](CCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1O ZINC001659755518 1173935042 /nfs/dbraw/zinc/93/50/42/1173935042.db2.gz QWIPLYCNVAJINT-RQJABVFESA-N 1 1 324.381 0.634 20 5 DCBDMO COc1c(O)ccc(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)c1[N+](=O)[O-] ZINC001665289670 1174502011 /nfs/dbraw/zinc/50/20/11/1174502011.db2.gz IPPZKDLPRODJPA-YGRLFVJLSA-N 1 1 312.322 0.627 20 5 DCBDMO COc1c(O)ccc(C[N@H+]2C[C@H](O)C[C@@]2(C)CO)c1[N+](=O)[O-] ZINC001665289670 1174502016 /nfs/dbraw/zinc/50/20/16/1174502016.db2.gz IPPZKDLPRODJPA-YGRLFVJLSA-N 1 1 312.322 0.627 20 5 DCBDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)NCCn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC001685506131 1176035356 /nfs/dbraw/zinc/03/53/56/1176035356.db2.gz SODLVJZHDITZOQ-WCFLWFBJSA-N 1 1 322.369 0.431 20 5 DCBDMO O=C(NCC[N@H+](CCO)C1CCCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001699685438 1178249064 /nfs/dbraw/zinc/24/90/64/1178249064.db2.gz RQSPMCRXPXBVBK-ZIAGYGMSSA-N 1 1 313.398 0.785 20 5 DCBDMO O=C(NCC[N@@H+](CCO)C1CCCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001699685438 1178249071 /nfs/dbraw/zinc/24/90/71/1178249071.db2.gz RQSPMCRXPXBVBK-ZIAGYGMSSA-N 1 1 313.398 0.785 20 5 DCBDMO O=C(NCC[N@H+](CCO)C1CCCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001699685438 1178249075 /nfs/dbraw/zinc/24/90/75/1178249075.db2.gz RQSPMCRXPXBVBK-ZIAGYGMSSA-N 1 1 313.398 0.785 20 5 DCBDMO Cc1cccnc1C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001731239682 1185204649 /nfs/dbraw/zinc/20/46/49/1185204649.db2.gz FAPAMIMGWWSPPG-TZMCWYRMSA-N 1 1 306.366 0.993 20 5 DCBDMO Cc1cccnc1C[N@H+](C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001731239682 1185204654 /nfs/dbraw/zinc/20/46/54/1185204654.db2.gz FAPAMIMGWWSPPG-TZMCWYRMSA-N 1 1 306.366 0.993 20 5 DCBDMO Cc1cccnc1C[N@@H+](C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001731239682 1185204657 /nfs/dbraw/zinc/20/46/57/1185204657.db2.gz FAPAMIMGWWSPPG-TZMCWYRMSA-N 1 1 306.366 0.993 20 5 DCBDMO CC[N@@H+](CCNC(=O)c1cn[nH]n1)Cc1ccc([N+](=O)[O-])cc1 ZINC001753084204 1188494550 /nfs/dbraw/zinc/49/45/50/1188494550.db2.gz HFYMPYVQXJEYCG-UHFFFAOYSA-N 1 1 318.337 0.965 20 5 DCBDMO CC[N@H+](CCNC(=O)c1cnn[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001753084204 1188494554 /nfs/dbraw/zinc/49/45/54/1188494554.db2.gz HFYMPYVQXJEYCG-UHFFFAOYSA-N 1 1 318.337 0.965 20 5 DCBDMO CC[N@@H+](CCNC(=O)c1cnn[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001753084204 1188494560 /nfs/dbraw/zinc/49/45/60/1188494560.db2.gz HFYMPYVQXJEYCG-UHFFFAOYSA-N 1 1 318.337 0.965 20 5 DCBDMO NC(=O)CC(=O)NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001753399112 1188583523 /nfs/dbraw/zinc/58/35/23/1188583523.db2.gz XEFGAQHQYSXPLW-UHFFFAOYSA-N 1 1 306.322 0.018 20 5 DCBDMO